Aluminum doping tunes band gap energy level as well as oxidative stress-mediated cytotoxicity of ZnO nanoparticles in MCF-7 cells.

PubMed

Akhtar, Mohd Javed; Alhadlaq, Hisham A; Alshamsan, Aws; Majeed Khan, M A; Ahamed, Maqusood

2015-09-08

We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of Al(x)Zn(1-x)O nanocrystals with the size range of 33-55 nm. Al-doping increased the band gap energy of ZnO nanoparticles (from 3.51 eV for pure to 3.87 eV for Al-doped ZnO). Al-doping also enhanced the cytotoxicity and oxidative stress response of ZnO nanoparticles in MCF-7 cells. The IC50 for undoped ZnO nanoparticles was 44 μg/ml while for the Al-doped ZnO counterparts was 31 μg/ml. Up-regulation of apoptotic genes (e.g. p53, bax/bcl2 ratio, caspase-3 &caspase-9) along with loss of mitochondrial membrane potential suggested that Al-doped ZnO nanoparticles induced apoptosis in MCF-7 cells through mitochondrial pathway. Importantly, Al-doping did not change the benign nature of ZnO nanoparticles towards normal cells suggesting that Al-doping improves the selective cytotoxicity of ZnO nanoparticles toward MCF-7 cells without affecting the normal cells. Our results indicated a novel approach through which the inherent selective cytotoxicity of ZnO nanoparticles against cancer cells can be further improved.

Effects on the magnetic and optical properties of Co-doped ZnO at different electronic states

NASA Astrophysics Data System (ADS)

Huo, Qingyu; Xu, Zhenchao; Qu, Linfeng

2017-12-01

Both blue and red shifts in the absorption spectrum of Co-doped ZnO have been reported at a similar concentration range of doped Co. Moreover, the sources of magnetism of Co-doped ZnO are controversial. To solve these problems, the geometry optimization and energy of different Co-doped ZnO systems were calculated at the states of electron spin polarization and nonspin polarization by adopting plane-wave ultra-soft pseudopotential technology based on density function theory. At the state of electron nonspin polarization, the total energies increased as the concentration of Co-doped increased. The doped systems also became unstable. The formation energies increased and doping became difficult. Furthermore, the band gaps widened and the absorption spectrum exhibited a blue shift. The band gaps were corrected by local-density approximation + U at the state of electron spin polarization. The magnetic moments of the doped systems weakened as the concentration of doped Co increased. The magnetic moments were derived from the coupling effects of sp-d. The band gaps narrowed and the absorption spectrum exhibited a red shift. The inconsistencies of the band gaps and absorption spectrum at the states of electron spin polarization and nonspin polarization were first discovered in this research, and the sources of Co-doped ZnO magnetism were also reinterpreted.

Effect of annealing temperature on the photoluminescence and scintillation properties of ZnO nanorods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurudirek, Sinem V.; Menkara, H.; Klein, Benjamin D. B.

2018-01-01

The effect of the annealing to enhance the photoluminescence (PL) and scintillation properties, as determined by pulse height distribution of alpha particle irradiation, has been investigated for solution grown ZnO nanorods For this investigation the ZnO nanorod arrays were grown on glass for 22 h at 95 ◦ C as a substrate using a solution based hydrothermal technique. The samples were first annealed for different times (30, 60, 90 and 120 min) at 300 ◦ C and then at different temperatures (100 ◦ C–600 ◦ C) in order to determine the optimum annealing time and temperature, respectively. Before annealing, themore » ZnO nanorod arrays showed a broad yellow–orange visible and near-band gap UV emission peaks. After annealing in a forming gas atmosphere, the intensity of the sub-band gap PL was significantly reduced and the near-band gap PL emission intensity correspondingly increased (especially at temperatures higher than 100 ◦ C). Based on the ratio of the peak intensity ratio before and after annealing, it was concluded that samples at 350 ◦ C for 90 min resulted in the best near-band gap PL emission. Similarly, the analysis of the pulse height spectrum resulting from alpha particles revealed that ZnO nanorod arrays similarly annealed at 350 ◦ C for 90 min exhibited the highest scintillation response.« less

Doping Asymmetry Problem in ZnO: Current Status and Outlook. A Review of Experimental and Theoretical Efforts Focused on Achieving P-Type ZnO Suitable for Light-Emitting Optoelectronic Devices for the Blue/Ultraviolet Spectral Range

DTIC Science & Technology

2009-04-24

it seems at a first glance, because the isovalent co- doping of ZnO will result also in an increase of the band gap which usually gives rise to an...J.G. Lu, H.P. He, L.X. Chen, X.Q. Gu, J.Y. Huang, L.P. Zhu, and B.H. Zhao, “Na doping concentration tuned conductivity of ZnO films via pulsed laser...recently as a promising material for a variety of applications. To a large extent, the renewed interest in ZnO is fuelled by its wide direct band gap (3.3

Band-Gap Engineering in ZnO Thin Films: A Combined Experimental and Theoretical Study

NASA Astrophysics Data System (ADS)

Pawar, Vani; Jha, Pardeep K.; Panda, S. K.; Jha, Priyanka A.; Singh, Prabhakar

2018-05-01

Zinc oxide thin films are synthesized and characterized using x-ray diffraction, field-emission scanning electron microscopy, atomic force microscopy, and optical spectroscopy. Our results reveal that the structural, morphological, and optical properties are closely related to the stress of the sample provided that the texture of the film remains the same. The anomalous results are obtained once the texture is altered to a different orientation. We support this experimental observation by carrying out first-principles hybrid functional calculations for two different orientations of the sample and show that the effect of quantum confinement is much stronger for the (100) surface than the (001) surface of ZnO. Furthermore, our calculations provide a route to enhance the band gap of ZnO by more than 50% compared to the bulk band gap, opening up possibilities for wide-range industrial applications.

Strong visible and near infrared photoluminescence from ZnO nanorods/nanowires grown on single layer graphene studied using sub-band gap excitation

NASA Astrophysics Data System (ADS)

Biroju, Ravi K.; Giri, P. K.

2017-07-01

Fabrication and optoelectronic applications of graphene based hybrid 2D-1D semiconductor nanostructures have gained tremendous research interest in recent times. Herein, we present a systematic study on the origin and evolution of strong broad band visible and near infrared (NIR) photoluminescence (PL) from vertical ZnO nanorods (NRs) and nanowires (NWs) grown on single layer graphene using both above band gap and sub-band gap optical excitations. High resolution field emission scanning electron microscopy and X-ray diffraction studies are carried out to reveal the morphology and crystalline quality of as-grown and annealed ZnO NRs/NWs on graphene. Room temperature PL studies reveal that besides the UV and visible PL bands, a new near-infrared (NIR) PL emission band appears in the range between 815 nm and 886 nm (1.40-1.52 eV). X-ray photoelectron spectroscopy studies revealed excess oxygen content and unreacted metallic Zn in the as-grown ZnO nanostructures, owing to the low temperature growth by a physical vapor deposition method. Post-growth annealing at 700 °C in the Ar gas ambient results in the enhanced intensity of both visible and NIR PL bands. On the other hand, subsequent high vacuum annealing at 700 °C results in a drastic reduction in the visible PL band and complete suppression of the NIR PL band. PL decay dynamics of green emission in Ar annealed samples show tri-exponential decay on the nanosecond timescale including a very slow decay component (time constant ˜604.5 ns). Based on these results, the NIR PL band comprising two peaks centered at ˜820 nm and ˜860 nm is tentatively assigned to neutral and negatively charged oxygen interstitial (Oi) defects in ZnO, detected experimentally for the first time. The evidence for oxygen induced trap states on the ZnO NW surface is further substantiated by the slow photocurrent response of graphene-ZnO NRs/NWs. These results are important for tunable light emission, photodetection, and other cutting edge applications of graphene-ZnO based 2D-1D hybrid nanostructures.

Efficient acetone sensor based on Ni-doped ZnO nanostructures prepared by spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Darunkar, Swapnil S.; Acharya, Smita A.

2018-05-01

Ni-doped ZnO thin film was prepared by home-built spray pyrolysis unit for the detection of acetone at 300°C. Scanning electron microscopic (SEM) images of as-developed thin film of undoped ZnO exhibits large quantity of spherical, non-agglomerated particles with uniform size while in Ni-doped ZnO, particles are quite non-uniform in nature. The particle size estimated by using image J are obtained to be around 20-200 nm. Ni-doping effect on band gaps are determined by UV-vis optical spectroscopy and band gap of Ni-doped ZnO is found to be 3.046 eV. Nickel doping exceptionally enhances the sensing response of ZnO as compared to undoped ZnO system. The major role of the Ni-doping is to create more active sites for chemisorbed oxygen on the surface of sensor and correspondingly, to improve the sensing response. The 6 at.% of Ni-doped ZnO exhibits the highest response (92%) for 100 ppm acetone at 300 °C.

Composition dependent band offsets of ZnO and its ternary alloys

NASA Astrophysics Data System (ADS)

Yin, Haitao; Chen, Junli; Wang, Yin; Wang, Jian; Guo, Hong

2017-01-01

We report the calculated fundamental band gaps of wurtzite ternary alloys Zn1-xMxO (M = Mg, Cd) and the band offsets of the ZnO/Zn1-xMxO heterojunctions, these II-VI materials are important for electronics and optoelectronics. Our calculation is based on density functional theory within the linear muffin-tin orbital (LMTO) approach where the modified Becke-Johnson (MBJ) semi-local exchange is used to accurately produce the band gaps, and the coherent potential approximation (CPA) is applied to deal with configurational average for the ternary alloys. The combined LMTO-MBJ-CPA approach allows one to simultaneously determine both the conduction band and valence band offsets of the heterojunctions. The calculated band gap data of the ZnO alloys scale as Eg = 3.35 + 2.33x and Eg = 3.36 - 2.33x + 1.77x2 for Zn1-xMgxO and Zn1-xCdxO, respectively, where x being the impurity concentration. These scaling as well as the composition dependent band offsets are quantitatively compared to the available experimental data. The capability of predicting the band parameters and band alignments of ZnO and its ternary alloys with the LMTO-CPA-MBJ approach indicate the promising application of this method in the design of emerging electronics and optoelectronics.

Realizing luminescent downshifting in ZnO thin films by Ce doping with enhancement of photocatalytic activity

NASA Astrophysics Data System (ADS)

Narayanan, Nripasree; Deepak, N. K.

2018-04-01

ZnO thin films doped with Ce at different concentration were deposited on glass substrates by spray pyrolysis technique. XRD analysis revealed the phase purity and polycrystalline nature of the films with hexagonal wurtzite geometry and the composition analysis confirmed the incorporation of Ce in the ZnO lattice in the case of doped films. Crystalline quality and optical transmittance diminished while electrical conductivity enhanced with Ce doping. Ce doping resulted in a red-shift of optical energy gap due to the downshift of the conduction band minimum after merging with Ce related impurity bands formed below the conduction band in the forbidden gap. In the room temperature photoluminescence spectra, UV emission intensity of the doped films decreased while the intensity of the visible emission band increased drastically implying the degradation in crystallinity as well as the incorporation of defect levels capable of luminescence downshifting. Ce doping showed improvement in photocatalytic efficiency by effectively trapping the free carriers and then transferring for dye degradation. Thus Ce doped ZnO thin films are capable of acting as luminescent downshifters as well as efficient photocatalysts.

The quasiparticle band structure of zincblende and rocksalt ZnO.

PubMed

Dixit, H; Saniz, R; Lamoen, D; Partoens, B

2010-03-31

We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.

Comparative optical studies of ZnO and ZnO-TiO2 - Metal oxide nanoparticle

NASA Astrophysics Data System (ADS)

Vijayalakshmi, R. Vanathi; Asvini, V.; Kumar, P. Praveen; Ravichandran, K.

2018-05-01

A comparative study was carried out to show the enhancement in optical activity of bimetal oxide nanoparticle (ZnO - TiO2) than metal oxide nanoparticle (ZnO), which can preferably be used for optical applications. The samples were prepared by wet chemical method and crystalline structure of the samples as hexagonal - primitive for ZnO and tetragonal - bcc for ZnO-TiO2 was confirmed by XRD measurements. The average grain size of ZnO - 19.89nm and ZnO-TiO2- 49.89 nm was calculated by Debye- Scherrer formula. The structure and particle size of the sample was analyzed by FESEM images. The direct band gap energy of ZnO (3.9eV) and ZnO - TiO2(4.68eV) was calculated by Kubelka-Munk Function, from which it is clear that the band gap energy increases in bimetal oxide to a desired level than in its pure form. The photoluminescence study shows that the emitted wavelength of the samples lies exactly around the visible region.

Band-gap tailoring and visible-light-driven photocatalytic performance of porous (GaN)1-x(ZnO)x solid solution.

PubMed

Wu, Aimin; Li, Jing; Liu, Baodan; Yang, Wenjin; Jiang, Yanan; Liu, Lusheng; Zhang, Xinglai; Xiong, Changmin; Jiang, Xin

2017-02-21

(GaN) 1-x (ZnO) x solid solution has attracted extensive attention due to its feasible band-gap tunability and excellent photocatalytic performance in overall water splitting. However, its potential application in the photodegradation of organic pollutants and environmental processing has rarely been reported. In this study, we developed a rapid synthesis process to fabricate porous (GaN) 1-x (ZnO) x solid solution with a tunable band gap in the range of 2.38-2.76 eV for phenol photodegradation. Under visible-light irradiation, (GaN) 0.75 (ZnO) 0.25 solid solution achieved the highest photocatalytic performance compared to other (GaN) 1-x (ZnO) x solid solutions with x = 0.45, 0.65 and 0.85 due to its higher redox capability and lower lattice deformation. Slight Ag decoration with a content of 1 wt% on the surface of the (GaN) 0.75 (ZnO) 0.25 solid solution leads to a significant enhancement in phenol degradation, with a reaction rate eight times faster than that of pristine (GaN) 0.75 (ZnO) 0.25 . Interestingly, phenol in aqueous solution (10 mg L -1 ) can also be completely degraded within 60 min, even under the direct exposure of sunlight irradiation. The photocurrent response indicates that the enhanced photocatalytic activity of (GaN) 0.75 (ZnO) 0.25 /Ag is directly induced by the improved transfer efficiency of the photogenerated electrons at the interface. The excellent phenol degradation performance of (GaN) 1-x (ZnO) x /Ag further broadens their promising photocatalytic utilization in environmental processing, besides in overall water splitting for hydrogen production.

Understanding the optical properties of ZnO1-xSx and ZnO1-xSex alloys

NASA Astrophysics Data System (ADS)

Baldissera, Gustavo; Persson, Clas

2016-01-01

ZnO1-xYx with chalcogen element Y exhibits intriguing optoelectronic properties as the alloying strongly impacts the band-gap energy Eg(x). In this work, we analyze and compare the electronic structures and the dielectric responses of Zn(O,S) and Zn(O,Se) alloys by means of the density functional theory and the partially self-consistent GW approach. We model the crystalline stability from the total energies, and the results indicate that Zn(O,S) is more stable as alloy than Zn(O,Se). We demonstrate also that ion relaxation strongly affects total energies, and that the band-gap bowing depends primarily on local relaxation of the bonds. Moreover, we show that the composition dependent band-gap needs to be analyzed by the band anti-crossing model for small alloying concentration, while the alloying band-bowing model is accurate for strong alloying. We find that the Se-based alloys have a stronger change in the band-gap energy (for instance, ΔEg(0.50) = Eg(ZnO) - Eg(x = 0.50) ≈ 2.2 eV) compared with that of the S-based alloy (ΔEg(0.50) = 1.2 eV), mainly due to a stronger relaxation of the Zn-anion bonds that affects the electronic structure near the band edges. The optical properties of the alloys are discussed in terms of the complex dielectric function ɛ(ω) = ɛ1(ω) + iɛ2(ω) and the absorption coefficient α(ω). While the large band-gap bowing directly impacts the low-energy absorption spectra, the high-frequency dielectric constant ɛ∞ is correlated to the intensity of the dielectric response at energies above 4 eV. Therefore, the dielectric constant is only weakly affected by the non-linear band-gap variation. Despite strong structural relaxation, the high absorption coefficients of the alloys demonstrate that the alloys have well-behaved optoelectronic properties.

Physico-chemical properties of PMMA/ZnO nanocomposite capped with 1-chloro-9,10-bis (phenyl ethynyl) anthracene

NASA Astrophysics Data System (ADS)

Anandalli, Mallikarjun; Kanakaraj, T. M.; Hebbar, Vidyashree; Naik, Jagadish; Bhajantri, R. F.

2018-05-01

The nanocomposite films of polymethyl methacrylate (PMMA)/zinc oxide (ZnO) capped with different weight (0.25wt%,1wt%) percentage of fluorescence dye 1-chlor-9,10-bis (phenyl ethynyl anthracene (C30H17Cl) were prepared using solution casting method. ZnO powder dispersed in the polymer matrix uniformly, enhance the optical and physical properties of nanocomposite. Interaction of fluorescence dye and ZnO with polymer matrix gives the emerging applications, due to the fact that the dye C30H17Cl emits yellow light and it has wide band gap, hole transporting material. The prepared samples have been studied using the experimental techniques such as FTIR, UV-Visible (indirect energy gap plots), XRD, AFM. The FTIR used to confirm the peaks of ZnO nanoparticles dispersed in polymer matrix and interaction of the dye. From the UV-Visible technique, the optical band gap of the nanocomposites has been investigated, and the obtained optical band gap reduces with increase in weight % of dye in PMMA/ZnO. The AFM results show the surface morphology and smoothness of the nanocomposite films. The crystallinity of the PMMA/ZnO:C30H17Cl nanocomposite has been estimated using powder XRD patterns. The prepared nanocomposites films useful for the wide range of applications.

Exploring excitonic signal in optical conductivity of ZnO through first-order electron-hole vertex correction

NASA Astrophysics Data System (ADS)

Khoirunnisa, Humaira; Aziz Majidi, Muhammad

2018-04-01

The emergence of exitonic signal in the optical response of a wide band-gap semiconductor has been a common knowledge in physics. There have been numerous experimental studies exploring the important role of excitons on influencing both the transport and optical properties of the materials. Despite the existence of much information on excitonic effects, there has not been much literature that explores detailed theoretical explanation on how the exitonic signal appears and how it evolves with temperature. Here, we propose a theoretical study on the optical conductivity of ZnO, a well-known wide band-gap semiconductor that we choose as a case study. ZnO has been known to exhibit excitonic states in its optical spectra in the energy range of ∼3.13-3.41 eV, with a high exciton binding energy of ∼60 meV. An experimental study on ZnO in 2014 revealed such a signal in its optical conductivity spectrum. We present a theoretical investigation on the appearance of excitonic signal in optical conductivity of ZnO. We model the wurtzite ZnO within an 8-band k.p approximation. We calculate the optical conductivity by incorporating the first-order vertex correction derived from the Feynman diagrams. Our calculation up to the first-order correction spectrum qualitatively confirms the existence of excitons in wurtzite ZnO.

Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Zheng; Lü, Tie-Yu; Wang, Hui-Qiong

We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type) semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature,more » indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.« less

Evolution of dielectric function of Al-doped ZnO thin films with thermal annealing: effect of band gap expansion and free-electron absorption.

PubMed

Li, X D; Chen, T P; Liu, Y; Leong, K C

2014-09-22

Evolution of dielectric function of Al-doped ZnO (AZO) thin films with annealing temperature is observed. It is shown that the evolution is due to the changes in both the band gap and the free-electron absorption as a result of the change of free-electron concentration of the AZO thin films. The change of the electron concentration could be attributed to the activation of Al dopant and the creation/annihilation of the donor-like defects like oxygen vacancy in the thin films caused by annealing.

Effect of Ni doping on structural and optical properties of Zn{sub 1−x}Ni{sub x}O nanopowder synthesized via low cost sono-chemical method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Budhendra, E-mail: bksingh@ua.pt; Kaushal, Ajay, E-mail: ajay.kaushal@ua.pt; Bdikin, Igor

2015-10-15

Highlights: • Pure and Ni doped ZnO nanopowders were synthesized by low cost sonochemical method. • The optical properties of Zn{sub 1−x}Ni{sub x}O nanopowders can be tuned by varying Ni content. • The results reveal the solubility limit of Ni into ZnO matrix as below 8%. - Abstract: Zn{sub 1−x}Ni{sub x}O nanopowders with different Ni contents of x = 0.0, 0.04 and 0.08 were synthesized via cost effective sonochemical reaction method. X-ray diffraction (XRD) pattern reveals pure wurtzite phase of prepared nanostructures with no additional impurity peaks. The morphology and dimensions of nanoparticles were investigated using scanning electron microscope (SEM).more » A sharp and strong peak for first order optical mode for wurtzite zinc oxide (ZnO) structure was observed at ∼438 cm{sup −1} in Raman spectra. The calculated optical band gap (E{sub g}) from UV–vis transmission data was found to decrease with increase in Ni content. The observed red shift in E{sub g} with increasing Ni content in ZnO nanopowders were in agreement with band gap behaviours found in their photoluminescence (PL) spectra. The synthesised ZnO nanopowders with controlled band gap on Ni doping reveals their potential for use in various electronic and optical device applications. The results were discussed in detail.« less

The structural, electronic and optical properties of Nd doped ZnO using first-principles calculations

NASA Astrophysics Data System (ADS)

Wen, Jun-Qing; Zhang, Jian-Min; Chen, Guo-Xiang; Wu, Hua; Yang, Xu

2018-04-01

The density functional theory calculations using general gradient approximation (GGA) applying Perdew-Burke-Ernzerhof (PBE) as correlation functional have been systematically performed to research the formation energy, the electronic structures, band structures, total and partial DOS, and optical properties of Nd doping ZnO with the content from 6.25% to 12.5%. The formation energies are negative for both models, which show that two structures are energetically stable. Nd doping ZnO crystal is found to be a direct band gap semiconductor and Fermi level shifts upward into conduction band, which show the properties of n-type semiconductor. Band structures are more compact after Nd doping ZnO, implying that Nd doping induces the strong interaction between different atoms. Nd doping ZnO crystal presents occupied states at near Fermi level, which mainly comes from the Nd 4f orbital. The calculated optical properties imply that Nd doping causes a red-shift of absorption peaks, and enhances the absorption of the visible light.

Pre and post annealed low cost ZnO nanorods on seeded substrate

NASA Astrophysics Data System (ADS)

Nordin, M. N.; Kamil, Wan Maryam Wan Ahmad

2017-05-01

We wish to report the photonic band gap (where light is confined) in low cost ZnO nanorods created by two-step chemical bath deposition (CBD) method where the glass substrates were pre-treated with two different seeding thicknesses, 100 nm (sample a) and 150 nm (sample b), of ZnO using radio frequency magnetron sputtering. Then the samples were annealed at 600°C for 1 hour in air before and after immersed into the chemical solution for CBD process. To observe the presence of photonic band gap on the sample, UV-Visible-NIR spectrophotometer was utilized and showed that sample a and sample b both achieved wide band gap between 240 nm and 380 nm, within the UV range for typical ZnO, however sample b provided a better light confinement that may be attributed by the difference in average nanorods size. Field Emission Scanning Electron Microscope (FESEM) of the samples revealed better oriented nanorods uniformly scattered across the surface when substrates were coated with 100 nm of seeding layer whilst the 150 nm seeding sample showed a poor distribution of nanorods probably due to defects in the sample. Finally, the crystal structure of the ZnO crystallite is revealed by employing X-ray diffraction and both samples showed polycrystalline with hexagonal wurtzite structure that matched with JCPDS No. 36-1451. The 100 nm pre-seeded samples was recognized to have bigger average crystallite size, however sample b was suggested as having a higher crystalline quality. In conclusion, the sample b is recognized as a better candidate for future photonic applications due to its more apparent of photonic band gap and this may be contributed by more random distribution of the nanorods as observed in FESEM images as well as higher crystalline quality as suggested from XRD measurements.

First-principles calculation of electronic and optical properties of graphene like ZnO (G-ZnO)

NASA Astrophysics Data System (ADS)

Farooq, Rabia; Mahmood, Tariq; Anwar, Abdul Waheed; Abbasi, Ghadah Niaz

2016-02-01

Semiconductor metal oxides are favorable for their exotic properties like wide band gap, transparency, enhanced charge mobility, and strong luminescence at room temperature. These properties have put metal oxides under limelight, especially ZnO has earned a renowned position in emanate industry for transparent electrodes, electronics, super-capacitors, photo-voltaic cells, gas-sensors, and many more. ZnO is not only environmental friendly but also a highly stable and cheap photo catalytic source naturally available in high abundance. First principles calculation is performed to study optoelectronic properties of ZnO. Geometry optimization of graphene like ZnO (G-ZnO) is preformed using generalized gradient approximation along with hybrid functional (GGA-PBE and GGA-PBE + U) to calculate various structural and electronic parameters of G-ZnO. Employing Hubbard (U) parameter improved band gap and c/a ratio calculation as 1.245 eV and 1.613 respectively; also dielectric constant is calculated as 4.58 (U = 15 eV) which is in accordance with the available experimental data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gawai, U. P.; Dole, B. N.; Khawal, H. A.

Ag doped ZnO nanocrystals were synthesized by co-precipitation method with the nominal compositions (x=0.00, 0.02, 0.04, 0.06). The as-synthesized Ag doped ZnO nanocrystals were characterized by X-ray diffraction (XRD), FTIR and UV-Vis. From XRD patterns samples shows hexagonal structure. The average crystallite size is in the range of 41-47 nm. All as synthesized Zn{sub 1−x}Ag{sub x}O nanocrystals are highly textured, with wurtzite structure along the (101) growth direction. The energy band gap of pure and Ag doped ZnO were calculated from UV-Vis spectra. FTIR spectra were confirmed that Ag substituted into ZnO. Chemical species of the samples were detected using FTIRmore » spectra An increase in the hexagonal lattice parameters of ZnO is observed on increasing the Ag concentration. An optical absorption study shows an increment in the band gap with increasing Ag content. From optical study the samples determines blue shift. Atomic packing fraction (APF) and c/a ratio were calculated using XRD data. It confirms the formation of ZnO with the stretching vibrational mode around at 506 to 510 cm{sup −1}.« less

Excitation Dependent Phosphorous Property and New Model of the Structured Green Luminescence in ZnO

NASA Astrophysics Data System (ADS)

Ye, Honggang; Su, Zhicheng; Tang, Fei; Wang, Mingzheng; Chen, Guangde; Wang, Jian; Xu, Shijie

2017-02-01

The copper induced green luminescence (GL) with two sets of fine structures in ZnO crystal has been found for several decades (i.e., R. Dingle, Phys. Rev. Lett. 23, 579 (1969)), but the physical origin of the doublet still remains as an open question up to now. In this paper, we provide new insight into the mechanism of the structured GL band in terms of new experimental findings and theoretical calculations. It is found, for the first time, that the GL signal exhibits persistent afterglow for tens of minutes after the switch-off of below-band-gap excitation light but it cannot occur under above-band-gap excitation. Such a phosphorous property may be interpreted as de-trapping and feeding of electrons from a shallow trapping level via the conduction band to the Cu-related luminescence centers where the Cu3+ ion is proposed to work as the final state of the GL emission. From first-principles calculation, such a Cu3+ ion in wurtzite ZnO prefers a high spin 3d8 state with two non-degenerated half-filled orbitals due to the Jahn-Teller effect, probably leading to the double structures in photoluminescence spectrum. Therefore, this model gives a comprehensively new understanding on the mechanism of the structured GL band in ZnO.

Theoretical prediction of low-density hexagonal ZnO hollow structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tuoc, Vu Ngoc, E-mail: tuoc.vungoc@hust.edu.vn; Huan, Tran Doan; Thao, Nguyen Thi

2016-10-14

Along with wurtzite and zinc blende, zinc oxide (ZnO) has been found in a large number of polymorphs with substantially different properties and, hence, applications. Therefore, predicting and synthesizing new classes of ZnO polymorphs are of great significance and have been gaining considerable interest. Herein, we perform a density functional theory based tight-binding study, predicting several new series of ZnO hollow structures using the bottom-up approach. The geometry of the building blocks allows for obtaining a variety of hexagonal, low-density nanoporous, and flexible ZnO hollow structures. Their stability is discussed by means of the free energy computed within the lattice-dynamicsmore » approach. Our calculations also indicate that all the reported hollow structures are wide band gap semiconductors in the same fashion with bulk ZnO. The electronic band structures of the ZnO hollow structures are finally examined in detail.« less

On the optical band gap of zinc oxide

NASA Astrophysics Data System (ADS)

Srikant, V.; Clarke, D. R.

1998-05-01

Three different values (3.1, 3.2, and 3.3 eV) have been reported for the optical band gap of zinc oxide single crystals at room temperature. By comparing the optical properties of ZnO crystals using a variety of optical techniques it is concluded that the room temperature band gap is 3.3 eV and that the other values are attributable to a valence band-donor transition at ˜3.15 eV that can dominate the optical absorption when the bulk of a single crystal is probed.

Enhancing Optical and Electrical Properties of La- and Al-Codoped ZnO Thin Films Prepared by Sol-Gel Method -La Codoping Effect.

PubMed

He-Yan, Hai

2017-07-10

Backgroud: The transparent conductive ZnO film is widely used in solar cell. Enhancing the transmittance and electrical conductivity of the films is attracting many attentions to improve cell efficiency. This work focuses on the fabrication and potential application of the various cation-doped ZnO materials in recent patents and literature and then presents the La codoping effects of Al-doped ZnO films. Films were deposited by a sol-gel route and characterized by various techniques including X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, UV-vis and luminescent spectroscopies, and electrical conduction analysis. The UV-vis. transmittance and band gap increased and then decreased, whereas the resistivity decreased and then slightly increased with the increase in La/Al ratio. The La/Al ratio of 0.0105 led to a maximal transmittance, a widest band gap, and a minimal resistivity. The films also illustrated a near band gap emission and some intrinsic defect-related emissions with varied intensity with La/Al ratio. This work reveal that the electrical and optical properties of the ZnO:Al films can be well enhanced by La codoping. This is significant to the applications of the ZnO:Al materials. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

High UV light performance for the degradation of Rhodamine B dye by synthesized Bi2S3ZnO nanocomposite

NASA Astrophysics Data System (ADS)

Sangareswari, M.; Meenakshi Sundaram, M.

2017-05-01

Heterogeneous photocatalytic degradation of organics in water and wastewater by large band gap semiconductors has offered an attractive alternative for environmental remediation. Zinc oxide is a very fast and efficient catalyst because of its wide band gap and large exciton binding energy. In this study, an efficient Bi2S3ZnO was synthesized by sonochemical method. The obtained product was further characterized by TEM, SEM, XRD, FT-IR and UV-DRS analysis. Scanning electron microscopy images revealed that Bi2S3ZnO has flower-like structure. The synthesized flower-like Bi2S3ZnO nanocomposites were more efficient than commercial ZnO for the degradation of organic contaminants under UV light irradiation. The prepared material shows enhanced photocatalytic activity on Rhodamine B dye solution under UV light irradiation. The percentage removal of dye was calculated by UV-Vis spectrophotometer. In addition, Bi2S3ZnO showed tremendous photocatalytic stability after seven cycles under UV light irradiation. A possible mechanism for the photocatalytic oxidative degradation was also discussed. It is concluded that the Bi2S3ZnO nanocomposite acts as an excellent photocatalyst for the decomposition of RhB and it could be a potential material for essential wastewater treatment.

Atomic Scale Study on Growth and Heteroepitaxy of ZnO Monolayer on Graphene.

PubMed

Hong, Hyo-Ki; Jo, Junhyeon; Hwang, Daeyeon; Lee, Jongyeong; Kim, Na Yeon; Son, Seungwoo; Kim, Jung Hwa; Jin, Mi-Jin; Jun, Young Chul; Erni, Rolf; Kwak, Sang Kyu; Yoo, Jung-Woo; Lee, Zonghoon

2017-01-11

Atomically thin semiconducting oxide on graphene carries a unique combination of wide band gap, high charge carrier mobility, and optical transparency, which can be widely applied for optoelectronics. However, study on the epitaxial formation and properties of oxide monolayer on graphene remains unexplored due to hydrophobic graphene surface and limits of conventional bulk deposition technique. Here, we report atomic scale study of heteroepitaxial growth and relationship of a single-atom-thick ZnO layer on graphene using atomic layer deposition. We demonstrate atom-by-atom growth of zinc and oxygen at the preferential zigzag edge of a ZnO monolayer on graphene through in situ observation. We experimentally determine that the thinnest ZnO monolayer has a wide band gap (up to 4.0 eV), due to quantum confinement and graphene-like structure, and high optical transparency. This study can lead to a new class of atomically thin two-dimensional heterostructures of semiconducting oxides formed by highly controlled epitaxial growth.

Enhanced optical band-gap of ZnO thin films by sol-gel technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raghu, P., E-mail: dpr3270@gmail.com; Naveen, C. S.; Shailaja, J.

2016-05-06

Transparent ZnO thin films were prepared using different molar concentration (0.1 M, 0.2 M & 0.8 M) of zinc acetate on soda lime glass substrates by the sol-gel spin coating technique. The optical properties revealed that the transmittance found to decrease with increase in molar concentration. Absorption edge showed that the higher concentration film has increasingly red shifted. An increased band gap energy of the thin films was found to be direct allowed transition of ∼3.9 eV exhibiting their relevance for photovoltaic applications. The extinction coefficient analysis revealed maximum transmittance with negligible absorption coefficient in the respective wavelengths. The resultsmore » of ZnO thin film prepared by sol-gel technique reveal its suitability for optoelectronics and as a window layer in solar cell applications.« less

Zn-VI quasiparticle gaps and optical spectra from many-body calculations.

PubMed

Riefer, A; Weber, N; Mund, J; Yakovlev, D R; Bayer, M; Schindlmayr, Arno; Meier, C; Schmidt, W G

2017-06-01

The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the [Formula: see text] (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn-VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe-Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.

Franz-Keldysh effect in epitaxial ZnO thin films

NASA Astrophysics Data System (ADS)

Bridoux, G.; Villafuerte, M.; Ferreyra, J. M.; Guimpel, J.; Nieva, G.; Figueroa, C. A.; Straube, B.; Heluani, S. P.

2018-02-01

Photoconductance spectroscopy has been studied in epitaxial ZnO thin films with different thicknesses that range between 136 and 21 nm. We report a systematic decrease in photoconductivity and a red shift in band edge photoconductance spectra when the thickness is reduced. For thinner films, it is found that the effective energy gap value diminishes. By time dependent photoconductivity measurements, we found an enhanced contribution of the slow relaxation times for thicker films. These effects are interpreted in terms of a band-bending contribution where the Franz-Keldysh effect and the polarization of ZnO play a major role in thinner films.

Aqueous chemical growth of free standing vertical ZnO nanoprisms, nanorods and nanodiskettes with improved texture co-efficient and tunable size uniformity

NASA Astrophysics Data System (ADS)

Ram, S. D. Gopal; Ravi, G.; Athimoolam, A.; Mahalingam, T.; Kulandainathan, M. Anbu

2011-12-01

Tuning the morphology, size and aspect ratio of free standing ZnO nanostructured arrays by a simple hydrothermal method is reported. Pre-coated ZnO seed layers of two different thicknesses (≈350 nm or 550 nm) were used as substrates to grow ZnO nanostructures for the study. Various parameters such as chemical ambience, pH of the solution, strength of the Zn2+ atoms and thickness of seed bed are varied to analyze their effects on the resultant ZnO nanostructures. Vertically oriented hexagonal nanorods, multi-angular nanorods, hexagonal diskette and popcorn-like nanostructures are obtained by altering the experimental parameters. All the produced nanostructures were analysed by X-ray powder diffraction analysis and found to be grown in the (002) orientation of wurtzite ZnO. The texture co-efficient of ZnO layer was improved by combining a thick seed layer with higher cationic strength. Surface morphological studies reveal various nanostructures such as nanorods, diskettes and popcorn-like structures based on various preparation conditions. The optical property of the closest packed nanorods array was recorded by UV-VIS spectrometry, and the band gap value simulated from the results reflect the near characteristic band gap of ZnO. The surface roughness profile taken from the Atomic Force Microscopy reveals a roughness of less than 320 nm.

The effect of cation doping on the morphology, optical and structural properties of highly oriented wurtzite ZnO-nanorod arrays grown by a hydrothermal method

NASA Astrophysics Data System (ADS)

Hassanpour, A.; Guo, P.; Shen, S.; Bianucci, P.

2017-10-01

Undoped and C-doped (C: Mg2+, Ni2+, Mn2+, Co2+, Cu2+, Cr3+) ZnO nanorods were synthesized by a hydrothermal method at temperatures as low as 60 °C. The effect of doping on the morphology of the ZnO nanorods was visualized by taking their cross section and top SEM images. The results show that the size of nanorods was increased in both height and diameter by cation doping. The crystallinity change of the ZnO nanorods due to each doping element was thoroughly investigated by an x-ray diffraction (XRD). The XRD patterns show that the wurtzite crystal structure of ZnO nanorods was maintained after cation addition. The optical Raman-active modes of undoped and cation-doped nanorods were measured with a micro-Raman setup at room temperature. The surface chemistry of samples was investigated by x-ray photoelectron spectroscopy and energy-dispersive x-ray spectroscopy. Finally, the effect of each cation dopant on band-gap shift of the ZnO nanorods was investigated by a photoluminescence setup at room temperature. Although the amount of dopants (Mg2+, Ni2+, and Co2+) was smaller than the amount of Mn2+, Cu2+, and Cr3+ in the nanorods, their effect on the band structure of the ZnO nanorods was profound. The highest band-gap shift was achieved for a Co-doped sample, and the best crystal orientation was for Mn-doped ZnO nanorods. Our results can be used as a comprehensive reference for engineering of the morphological, structural and optical properties of cation-doped ZnO nanorods by using a low-temperature synthesis as an economical mass-production approach.

Development of zinc oxide nanoparticle by sonochemical method and study of their physical and optical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khan, Samreen Heena, E-mail: samreen.heena.khan@gmail.com; Suriyaprabha, R.; Pathak, Bhawana, E-mail: bhawana.pathak@cug.ac.in

With the miniaturization of crystal size, the fraction of under-coordinated surface atoms becomes dominant, and hence, materials in the nano-regime behave very differently from the similar material in a bulk. Zinc oxide (ZnO), particularly, exhibits extraordinary properties such as a wide direct band gap (3.37 eV), large excitation binding energy (60 meV), low refractive index (1.9), stability to intense ultraviolet (UV) illumination, resistance to high-energy irradiation, and lower toxicity as compared to other semiconductors. This very property makes Zinc Oxide a potential candidate in many application fields, particularly as a prominent semiconductor. Zinc Oxide plays a significant role in manymore » technological advances with its application in semiconductor mediated photocatalytic processes and sensor, solar cells and others. In present study, Zinc Oxide (ZnO) has been synthesized using three different precursors by sonochemical method. Zinc Acetate Dihydrate, Zinc Nitrate Hexahydrate and Zinc Sulphate Heptahydrate used as a precursor for the synthesis process. The synthesized ZnO nanoparticle has been found under the range of ∼50 nm. Zinc oxide nanoparticles were characterized using different characterizing tools. The as-synthesized ZnO was characterized by Fourier Transform-Infrared Spectroscopy (FT-IR) for the determination of functional group; Scanning Electron Microscopy equipped with Energy Dispersive Spectroscopy (SEM-EDS) for Morphology and elemental detection respectively, Transmission Electron Microscopy for Particle size distribution and morphology and X-Ray Diffraction (XRD) for the confirmation of crystal structure of the nanomaterial. The optical properties of the ZnO were examined by UV-VIS spectroscopy equipped with Diffuse Reflectance spectroscopy (DRS) confirmed the optical band gap of ZnO-3 around 3.23 eV resembles with the band gap of bulk ZnO (3.37eV). The TEM micrograph of the as-synthesized material showed perfectly spherical shaped nanoparticle under the size range of 50nm. The XRD data showed that the ZnO-3 which was synthesized using Zinc Nitrate Hexahydrate as precursor showed the hexagonal wurtzite crystal structure. The XRD data obtained were compared with the JCPDS standard data. The precursor Zinc Nitrate Hexahydrate (ZnO-3) showed the good yield, monodispersity and size of nanoparticle under the range of 50 nm. The ZnO nanoparticles synthesize using different precursor was found effective in order of ZnO-3, followed by ZnO-1 & ZnO-2. The Synthesized ZnO has wider application in environmental remediation and clean-up as a potential nano-catalyst.« less

Highly Efficient Defect Emission from ZnO:Zn and ZnO:S Powders

NASA Astrophysics Data System (ADS)

Everitt, Henry

2013-03-01

Bulk Zinc Oxide (ZnO) is a wide band gap semiconductor with an ultraviolet direct band gap energy of 3.4 eV and a broad, defect-related visible wavelength emission band centered near 2 eV. We have shown that the external quantum efficiency can exceed 50% for this nearly white emission band that closely matches the human dark-adapted visual response. To explore the potential of ZnO as a rare earth-free white light phosphor, we investigated the mechanism of efficient defect emission in three types of ZnO powders: unannealed, annealed, and sulfur-doped. Annealing and sulfur-doping of ZnO greatly increase the strength of defect emission while suppressing the UV band edge emission. Continuous wave and ultrafast one- and two-photon excitation spectroscopy are used to examine the defect emission mechanism. Low temperature photoluminescence (PL) and PL excitation (PLE) spectra were measured for all three compounds, and it was found that bound excitons mediate the defect emission. Temperature-dependent PLE spectra for the defect and band edge emission were measured to estimate trapping and activation energies of the bound excitons and clarify the role they play in the defect emission. Time-resolved techniques were used to ascertain the role of exciton diffusion, the effects of reabsorption, and the spatial distributions of radiative and non-radiative traps. In unannealed ZnO we find that defect emission is suppressed and UV band edge emission is inefficient (< 2%) because of reabsorption and non-radiative recombination due to a high density of non-radiative bulk traps. By annealing ZnO, bulk trap densities are reduced, and a high density of defects responsible for the broad visible emission are created near the surface. Interestingly, nearly identical PLE spectra are found for both the band edge and the defect emission, one of many indications that the defect emission is deeply connected to bound excitons. Quantum efficiency, also measured as a function of excitation wavelength, closely mirrors the PLE spectra for both emission bands. Sulfur-doped ZnO exhibits additional PLE and X-ray features indicative of a ZnS-rich surface shell that correlates with even more efficient defect emission. The results presented here offer hope that engineering defects in ZnO materials may significantly improve the quantum efficiency for white light phosphor applications. This work was supported by the Army's in-house laboratory innovative research program.

Preparation, characterization of Sb-doped ZnO nanocrystals and their excellent solar light driven photocatalytic activity

NASA Astrophysics Data System (ADS)

Nasser, Ramzi; Othmen, Walid Ben Haj; Elhouichet, Habib; Férid, Mokhtar

2017-01-01

In the present study, undoped and antimony (Sb) doped ZnO nanocrystals (NCs) were prepared by a simple and economical sol-gel method. X-ray diffraction (XRD) and transmission electron microscopy (TEM) revealed the purity of the obtained phase and its high crystallinity. Raman analysis confirms the hexagonal Wurtzite ZnO structure. According to the diffuse reflectance results, the band gap was found to decrease up to 3% of Sb doping (ZSb3 sample). The results of X-ray photoelectron spectroscopy (XPS) measurements reveal that Sb ions occupied both Zn and interstitials sites. The successful substitution of antimony in ZnO lattice suggests the formation of the complex (SbZn-2 VZn) acceptor level above the valence band. Particularly for ZSb3 sample, the UV photoluminescence (PL) band presents an obvious red-shift attributed to the formation of this complex. Rhodamine B (RhB) was used to evaluate the photocatalytic activity of Sb-doped ZnO NCs under sunlight irradiation. It was found that oxygen vacancies play a major role in the photocatalytic process by trapping the excited electrons and inhibiting the radiative recombination. During the photocatalytic mechanism, the Sb doping, expressed through the apparition of the (SbZn-2 VZn) correspondent acceptor level, enhances the sunlight absorption within the ZnO band gap, which stimulates the generation of hydroxyl radicals and promotes the photocatalytics reaction rates. Such important contribution of the hydroxyl radicals was confirmed experimentally when using ethanol as scavenger in the photocatalytic reaction. The photodegradation experiments reveal that ZSb3 sample exhibits the highest photocatalytic activity among all the prepared samples and presents a good cycling stability and reusability. The influence of the initial pH in the photodegradation efficiency was also monitored and discussed.

Study of cobalt effect on structural and optical properties of Dy doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Kumar, Pawan; Pandey, Praveen C.

2018-05-01

The present study has been carried out to investigate the effect of Co doping on structural and optical properties of Dy doped ZnO nanoparticles. We have prepared pure Zinc oxide, Dy (1%) doped ZnO and Dy (1%) doped ZnO co-doped with Co(2%) with the help of simple sol-gel combustion method. The structural analysis carried out using X-ray diffraction spectra (XRD) indicates substitution of Dy and Co at Zn site of ZnO crystal structure and hexagonal crystal structure without any secondary phase formation in all the samples. The surface morphology was analyzed by transmission electron microscopy (TEM). Absorption study indicates that Dy doping causes a small shift in band edge, while Co co-doping results significant change is absorption edge as well as introduce defect level absorption in the visible region. The band gap of samples decreases due to Dy and Co doping, which can be attributed to defect level formation below the conduction band in the system.

Hydrogen-related complexes in Li-diffused ZnO single crystals

NASA Astrophysics Data System (ADS)

Corolewski, Caleb D.; Parmar, Narendra S.; Lynn, Kelvin G.; McCluskey, Matthew D.

2016-07-01

Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li2O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>1019 cm-3). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm-1, attributed to surface O-H species. When Li2CO3 is used, a structured blue luminescence band and O-H mode at 3327 cm-1 are observed at 10 K. These observations, along with positron annihilation measurements, suggest a zinc vacancy-hydrogen complex, with an acceptor level ˜0.3 eV above the valence-band maximum. This relatively shallow acceptor could be beneficial for p-type ZnO.

Computational Analysis of the Optical and Charge Transport Properties of Ultrasonic Spray Pyrolysis-Grown Zinc Oxide/Graphene Hybrid Structures.

PubMed

Ali, Amgad Ahmed; Hashim, Abdul Manaf

2016-12-01

We demonstrate a systematic computational analysis of the measured optical and charge transport properties of the spray pyrolysis-grown ZnO nanostructures, i.e. nanosphere clusters (NSCs), nanorods (NRs) and nanowires (NWs) for the first time. The calculated absorbance spectra based on the time-dependent density functional theory (TD-DFT) shows very close similarity with the measured behaviours under UV light. The atomic models and energy level diagrams for the grown nanostructures were developed and discussed to explain the structural defects and band gap. The induced stresses in the lattices of ZnO NSCs that formed during the pyrolysis process seem to cause the narrowing of the gap between the energy levels. ZnO NWs and NRs show homogeneous distribution of the LUMO and HOMO orbitals all over the entire heterostructure. Such distribution contributes to the reduction of the band gap down to 2.8 eV, which has been confirmed to be in a good agreement with the experimental results. ZnO NWs and NRs exhibited better emission behaviours under the UV excitation as compared to ZnO NSCs and thin film as their visible range emissions are strongly quenched. Based on the electrochemical impedance measurement, the electrical models and electrostatic potential maps were developed to calculate the electron lifetime and to explain the mobility or diffusion behaviours in the grown nanostructure, respectively.

Computational Analysis of the Optical and Charge Transport Properties of Ultrasonic Spray Pyrolysis-Grown Zinc Oxide/Graphene Hybrid Structures

NASA Astrophysics Data System (ADS)

Ali, Amgad Ahmed; Hashim, Abdul Manaf

2016-05-01

We demonstrate a systematic computational analysis of the measured optical and charge transport properties of the spray pyrolysis-grown ZnO nanostructures, i.e. nanosphere clusters (NSCs), nanorods (NRs) and nanowires (NWs) for the first time. The calculated absorbance spectra based on the time-dependent density functional theory (TD-DFT) shows very close similarity with the measured behaviours under UV light. The atomic models and energy level diagrams for the grown nanostructures were developed and discussed to explain the structural defects and band gap. The induced stresses in the lattices of ZnO NSCs that formed during the pyrolysis process seem to cause the narrowing of the gap between the energy levels. ZnO NWs and NRs show homogeneous distribution of the LUMO and HOMO orbitals all over the entire heterostructure. Such distribution contributes to the reduction of the band gap down to 2.8 eV, which has been confirmed to be in a good agreement with the experimental results. ZnO NWs and NRs exhibited better emission behaviours under the UV excitation as compared to ZnO NSCs and thin film as their visible range emissions are strongly quenched. Based on the electrochemical impedance measurement, the electrical models and electrostatic potential maps were developed to calculate the electron lifetime and to explain the mobility or diffusion behaviours in the grown nanostructure, respectively.

Band alignment and p -type doping of ZnSnN2

NASA Astrophysics Data System (ADS)

Wang, Tianshi; Ni, Chaoying; Janotti, Anderson

2017-05-01

Composed of earth-abundant elements, ZnSnN2 is a promising semiconductor for photovoltaic and photoelectrochemical applications. However, basic properties such as the precise value of the band gap and the band alignment to other semiconductors are still unresolved. For instance, reported values for the band gap vary from 1.4 to 2.0 eV. In addition, doping in ZnSnN2 remains largely unexplored. Using density functional theory with the Heyd-Scuseria-Ernzerhof hybrid functional, we investigate the electronic structure of ZnSnN2, its band alignment to GaN and ZnO, and the possibility of p -type doping. We find that the position of the valence-band maximum of ZnSnN2 is 0.39 eV higher than that in GaN, yet the conduction-band minimum is close to that in ZnO, which suggests that achieving p -type conductivity is likely as in GaN, yet it may be difficult to control unintentional n -type conductivity as in ZnO. Among possible p -type dopants, we explore Li, Na, and K substituting on the Zn site. We show that while LiZn is a shallow acceptor, NaZn and KZn are deep acceptors, which we trace back to large local relaxations around the Na and K impurities due to the atomic size mismatches.

Band gap and conductivity variations of ZnO nano structured thin films annealed under Vacuum

NASA Astrophysics Data System (ADS)

Vattappalam, Sunil C.; Thomas, Deepu; T, Raju Mathew; Augustine, Simon; Mathew, Sunny

2015-02-01

Zinc Oxide thin films were prepared by Successive Ionic layer adsorption and reaction technique(SILAR). The samples were annealed under vacuum and conductivity of the samples were taken at different temperatures. UV Spectrograph of the samples were taken and the band gap of each sample was found from the data. All the results were compared with that of the sample annealed under air. It was observed that the band gap decreases and concequently conductivity of the samples increases when the samples are annealed under vacuum.

Band gap and conductivity variations of ZnO thin films by doping with Aluminium

NASA Astrophysics Data System (ADS)

Vattappalam, Sunil C.; Thomas, Deepu; T, Raju Mathew; Augustine, Simon; Mathew, Sunny

2015-02-01

Zinc Oxide thin films were prepared by Successive Ionic layer adsorption and reaction technique(SILAR). Aluminium was doped for different doping concentrations from 3 at.% to 12 at.% in steps of 3 at.%. Conductivity of the samples were taken at different temperatures. UV Spectrograph of the samples were taken and the band gap of each sample was found from the data. It was observed that as the doping concentration of Aluminium increases, the band gap of the samples decreases and concequently conductivity of the samples increases.

Investigation of Zinc Oxide-Loaded Poly(Vinyl Alcohol) Nanocomposite Films in Tailoring Their Structural, Optical and Mechanical Properties

NASA Astrophysics Data System (ADS)

Aslam, Muhammad; Kalyar, Mazhar Ali; Raza, Zulfiqar Ali

2018-04-01

Wurtzite ZnO nanoparticles, as a nanofiller, were incorporated in a poly(vinyl alcohol) (PVA) matrix to prepare multipurpose nanocomposite films using a solution casting approach. Some advanced analytical techniques were used to investigate the properties of prepared nanocomposite films. The mediation of ZnO nanofillers resulted in modification of structural, optical and mechanical properties of nanocomposite films. A comprehensive band structure investigation might be useful for designing technological applications like in optoelectronic devices. The experimental results were found to be closely dependent on the nanofiller contents. Some theoretical models like Tauc's and Wemple-DiDomenico, were employed to investigate the band structure parameters. The imaginary part of the dielectric constant was used to investigate the band gap. Then, the Helpin-Tsai model was employed to predict Young's moduli of the prepared nanocomposite films. On 3 wt.% ZnO nanofiller loading, the optical band gap of the PVA-based nanocomposite film was decreased from 5.26 eV to 3 eV, the tensile strength increased from 25.3 MPa to 48 MPa and Young's modulus increased from 144 MPa to 544 MPa.

Investigation of Zinc Oxide-Loaded Poly(Vinyl Alcohol) Nanocomposite Films in Tailoring Their Structural, Optical and Mechanical Properties

NASA Astrophysics Data System (ADS)

Aslam, Muhammad; Kalyar, Mazhar Ali; Raza, Zulfiqar Ali

2018-07-01

Wurtzite ZnO nanoparticles, as a nanofiller, were incorporated in a poly(vinyl alcohol) (PVA) matrix to prepare multipurpose nanocomposite films using a solution casting approach. Some advanced analytical techniques were used to investigate the properties of prepared nanocomposite films. The mediation of ZnO nanofillers resulted in modification of structural, optical and mechanical properties of nanocomposite films. A comprehensive band structure investigation might be useful for designing technological applications like in optoelectronic devices. The experimental results were found to be closely dependent on the nanofiller contents. Some theoretical models like Tauc's and Wemple-DiDomenico, were employed to investigate the band structure parameters. The imaginary part of the dielectric constant was used to investigate the band gap. Then, the Helpin-Tsai model was employed to predict Young's moduli of the prepared nanocomposite films. On 3 wt.% ZnO nanofiller loading, the optical band gap of the PVA-based nanocomposite film was decreased from 5.26 eV to 3 eV, the tensile strength increased from 25.3 MPa to 48 MPa and Young's modulus increased from 144 MPa to 544 MPa.

A detailed study on Sn4+ doped ZnO for enhanced photocatalytic degradation

NASA Astrophysics Data System (ADS)

Beura, Rosalin; Pachaiappan, R.; Thangadurai, P.

2018-03-01

The samples of Sn4+ doped (1, 5, 10, 15, 20 & 30%) ZnO nanostructures were synthesized by a low temperature hydrothermal method. Structural analysis by XRD and Raman spectroscopy showed the hexagonal wurtzite phase of ZnO and the formation of a secondary phase Zn2SnO4 beyond 10% doping of Sn4+. Microstructural analysis by TEM also confirmed the wurtzite ZnO with rod as well as particle like structure. Presence of various functional groups (sbnd OH, sbnd CH, Znsbnd O) were confirmed by FTIR. Optical properties were studied by UV-vis absorption, photoluminescence emission spectroscopies and lifetime measurement. Band gap of the undoped and Sn4+ doped ZnO were analyzed by Tauc plot and it was observed that the band gap of the materials had slightly decreased from 3.2 to 3.16 eV and again increased to 3.23 eV with respect to the increase in the doping concentration from 1 to 30%. A significant change was also noticed in the photoluminescence emission properties of ZnO i.e. increase in the intensity of NBE emission and decrease in DLE, on subject to Sn4+ doping. Average PL lifetime had increased from 29.45 ns for ZnO to 30.62 ns upon 1% Sn ion doping in ZnO. Electrical properties studied by solid state impedance spectroscopy showed that the conductivity had increased by one order of magnitude (from 7.48×10-8 to 2.21×10-7 S/cm) on Sn4+ doping. Photocatalytic experiments were performed on methyl orange (MO) as a model industrial dye under UV light irradiation for different irradiation times. The optimum Sn4+ content in order to achieve highest photocatalytic activity was found to be 1% Sn 4+ doping. The enhancement was achieved due to a decrease in the band gap favoring the generation of electron-hole pairs and the enhanced PL life time that delays the recombination of these charge carrier formation. The third reason was that the increased electrical conductivity that indicated the faster charge transfer in this material to enhance the photocatalytic activity. The Sn doped ZnO was found to be more photostable than pure ZnO.

Tuning the optical bandgap in multi-cation compound transparent conducting-oxides: The examples of In2ZnO4 and In4Sn3O12

NASA Astrophysics Data System (ADS)

Sabino, Fernando P.; Oliveira, Luiz N.; Wei, Su-Huai; Da Silva, Juarez L. F.

2018-02-01

Transparent conducting oxides such as the bixbyite In2O3 and rutile SnO2 systems have large disparities between the optical and fundamental bandgaps, ΔEgO F , because selection rules forbid dipolar transitions from the top of the valence band to the conduction-band minimum; however, the optical gaps of multi-cation compounds with the same chemical species often coincide with their fundamental gaps. To explain this conundrum, we have employed density-functional theory to compute the optical properties of multi-cation compounds, In2ZnO4 and In4Sn3O12, in several crystal structures. We show that a recently proposed mechanism to explain the disparity between the optical and fundamental gaps of M2O3 (M = Al, Ga, and In) applies also to other binary systems and to multi-compounds. Namely, a gap disparity will arise if the following three conditions are satisfied: (i) the crystal structure has inversion symmetry; (ii) the conduction-band minimum is formed by the cation and O s-orbitals; and (iii) there is strong p-d coupling and weak p-p in the vicinity of the valence-band maximum. The third property depends critically on the cationic chemical species. In the structures with inversion symmetry, Zn (Sn) strengthens (weakens) the p-d coupling in In2ZnO4 (In4Sn3O12), enhancing (reducing) the gap disparity. Furthermore, we have also identified a In4Sn3O12 structure that is 31.80 meV per formula unit more stable than a recently proposed alternative model.

Piezo-phototronic Effect Enhanced UV/Visible Photodetector Based on Fully Wide Band Gap Type-II ZnO/ZnS Core/Shell Nanowire Array.

PubMed

Rai, Satish C; Wang, Kai; Ding, Yong; Marmon, Jason K; Bhatt, Manish; Zhang, Yong; Zhou, Weilie; Wang, Zhong Lin

2015-06-23

A high-performance broad band UV/visible photodetector has been successfully fabricated on a fully wide bandgap ZnO/ZnS type-II heterojunction core/shell nanowire array. The device can detect photons with energies significantly smaller (2.2 eV) than the band gap of ZnO (3.2 eV) and ZnS (3.7 eV), which is mainly attributed to spatially indirect type-II transition facilitated by the abrupt interface between the ZnO core and ZnS shell. The performance of the device was further enhanced through the piezo-phototronic effect induced lowering of the barrier height to allow charge carrier transport across the ZnO/ZnS interface, resulting in three orders of relative responsivity change measured at three different excitation wavelengths (385, 465, and 520 nm). This work demonstrates a prototype UV/visible photodetector based on the truly wide band gap semiconducting 3D core/shell nanowire array with enhanced performance through the piezo-phototronic effect.

AuNPs Hybrid Black ZnO Nanorods Made by a Sol-Gel Method for Highly Sensitive Humidity Sensing

PubMed Central

Zhang, Min; Lin, Cunchong; Zhang, Jun

2018-01-01

A highly sensitive self-powered humidity sensor has been realized from AuNPs hybrid black zinc oxide (ZnO) nanorods prepared through a sol-gel method. XRD pattern reveals that both ZnO and ZnO/AuNPs exhibit a wurtzite structure. ZnO/AuNPs nanorods grow in a vertical alignment, which possesses high uniformity and forms dense arrays with a smaller diameter than that of ZnO nanoparticles. All ZnO/AuNPs and pure black ZnO show lower band gap energy than the typically reported 3.34 eV of pure ZnO. Furthermore, the band gap of ZnO/AuNPs nanocomposites is effectively influenced by the amount of AuNPs. The humidity sensing tests clearly prove that all the ZnO/AuNPs humidity sensors exhibit much higher response than that of ZnO sensors, and the sensitivity of such ZnO/AuNPs nanorods (6 mL AuNPs) display a change three orders higher than that of pure ZnO with relative humidity (RH) ranging from 11% to 95% at room temperature. The response and recovery time of the ZnO/AuNPs are 5.6 s and 32.4 s, respectively. This study of the construction of semiconductor/noble metal sensors provides a rational way to control the morphology of semiconductor nanomaterials and to design a humidity sensor with high performance. PMID:29342860

AuNPs Hybrid Black ZnO Nanorods Made by a Sol-Gel Method for Highly Sensitive Humidity Sensing.

PubMed

Zhang, Hongyan; Zhang, Min; Lin, Cunchong; Zhang, Jun

2018-01-13

A highly sensitive self-powered humidity sensor has been realized from AuNPs hybrid black zinc oxide (ZnO) nanorods prepared through a sol-gel method. XRD pattern reveals that both ZnO and ZnO/AuNPs exhibit a wurtzite structure. ZnO/AuNPs nanorods grow in a vertical alignment, which possesses high uniformity and forms dense arrays with a smaller diameter than that of ZnO nanoparticles. All ZnO/AuNPs and pure black ZnO show lower band gap energy than the typically reported 3.34 eV of pure ZnO. Furthermore, the band gap of ZnO/AuNPs nanocomposites is effectively influenced by the amount of AuNPs. The humidity sensing tests clearly prove that all the ZnO/AuNPs humidity sensors exhibit much higher response than that of ZnO sensors, and the sensitivity of such ZnO/AuNPs nanorods (6 mL AuNPs) display a change three orders higher than that of pure ZnO with relative humidity (RH) ranging from 11% to 95% at room temperature. The response and recovery time of the ZnO/AuNPs are 5.6 s and 32.4 s, respectively. This study of the construction of semiconductor/noble metal sensors provides a rational way to control the morphology of semiconductor nanomaterials and to design a humidity sensor with high performance.

Temperature dependence of the A, B, and C excitons in ZnO over 5-400 K: A modulated reflectivity study.

NASA Astrophysics Data System (ADS)

Tsoi, S.; Cardona, M.; Lauck, R.; Alawadhi, H.; Lu, X.; Grimsditch, M.; Ramdas, A. K.

2005-03-01

Optical properties of ZnO, a wide gap semiconductor with wurtzite structure, have generated renewed interest in the material in the context of opto-electronic phenomena and applications. The A, B, and C excitons of ZnO, arising from the combined effects of crystal field and spin-orbit splittings of the valence band, are investigated in the temperature range 5- 400 K, exploiting electro-, photo-, and wavelength-modulated reflectivity. The specimens studied have natural isotopic composition. The temperature dependence of the A, B, and C excitonic band gaps, fitted with a two harmonic oscillator modelootnotetextM. Cardona, Phys. Status. Solidi b 220, 5 (2000); R. Pä'ssler, J. Appl. Phys. 89, 6235 (2001) following Manj'on et al.ootnotetextF. J. Manj'on et al., Solid State Commun. 128, 35 (2003), yields the magnitudes of the zero-point renormalizations 262 meV (A), 227 meV (B), and 249 meV (C), respectively. Isotopically controlled ZnO is currently being investigated to determine the isotopic mass dependence of the zero-point renormalizations.

The influence of narrow optical gap silver oxide on zinc oxide nanoparticles produced by microwave-assisted colloidal synthesis: photocatalytic studies

NASA Astrophysics Data System (ADS)

Prakoso, S. P.; Paramarta, V.; Tju, H.; Taufik, A.; Saleh, R.

2016-11-01

This paper reports a photocatalytic study on wide band gap zinc oxide (ZnO) incorporated by narrow band gap silver oxide (Ag2O), namely Ag2O/ZnO nanocomposites, which were prepared by colloidal synthesis with microwave supports. The Ag2O/ZnO nanocomposites were prepared with three different molar ratios (MR) of Ag2O to ZnO (MR: 0.25, 0.5 and 0.75). In order to confirm qualitatively the concentration ratio of Ag2O in ZnO, crystal phase intensity ratio was executed by peak indexing from x-ray diffraction. The Ag2O/ZnO nanocomposites properties were further investigated using diffuse reflectance spectroscopy. The nanocomposites were tested for the degradation of organic dyes solutions under visible and UV light irradiations. The photocatalytic activity of Ag2O/ZnO nanocomposites under visible light increased with increasing molar ratio of Ag2O to ZnO, while the opposite trends observed under UV light irradiation. The improvement of photoabsorption together with photocatalytic activities might be suspected due to the p-n heterojunction structure in Ag2O/ZnO nanocomposites. The corresponding mechanism will be discussed in detail.

Composition and Band Gap Tailoring of Crystalline (GaN)1- x(ZnO) x Solid Solution Nanowires for Enhanced Photoelectrochemical Performance.

PubMed

Li, Jing; Liu, Baodan; Wu, Aimin; Yang, Bing; Yang, Wenjin; Liu, Fei; Zhang, Xinglai; An, Vladimir; Jiang, Xin

2018-05-07

Photoelectrochemical water splitting has emerged as an effective artificial photosynthesis technology to generate clean energy of H 2 from sunlight. The core issue in this reaction system is to develop a highly efficient photoanode with a large fraction of solar light absorption and greater active surface area. In this work, we take advantage of energy band engineering to synthesize (GaN) 1- x (ZnO) x solid solution nanowires with ZnO contents ranging from 10.3% to 47.6% and corresponding band gap tailoring from 3.08 to 2.77 eV on the basis of the Au-assisted VLS mechanism. The morphology of nanowires directly grown on the conductive substrate facilitates the charge transfer and simultaneously improves the surface reaction sites. As a result, a photocurrent approximately 10 times larger than that for a conventional powder-based photoanode is obtained, which indicates the potential of (GaN) 1- x (ZnO) x nanowires in the preparation of superior photoanodes for enhanced water splitting. It is anticipated that the water-splitting capability of (GaN) 1- x (ZnO) x nanowire can be further increased through alignment control for enhanced visible light absorption and reduction of charge transfer resistance.

Piezo-phototronic effect enhanced photo-detector based on ZnO nano-arrays/NiO structure

NASA Astrophysics Data System (ADS)

Sun, Jingchang; Li, Peida; Gao, Ruixue; Lu, Xue; Li, Chengren; Lang, Yueyi; Zhang, Xiwen; Bian, Jiming

2018-01-01

A photo-detector with n-ZnO nano-arrays/p-NiO film structure was synthesized on flexible Ni foil substrate. In contrast to conventional detectors that detect only the photon energies greater than the band gap of working materials, the visible light with smaller photon energies (3.0 eV) than the band gap of both ZnO (3.3 eV) and NiO (3.7 eV) can be sensitively detected by this detector due to the spatially indirect type-II transition between ZnO nano-arrays and NiO film. The increase in output currents of the photo-detector with illumination density was observed at both forward and reverse bias, and it can be further enhanced by exerting external compressive strain along the c axis of ZnO nano-arrays by piezo-phototronic effect. A maximum enhancement of 1020% of the responsivity (R) was achieved under external compressive strain. The similar behaviors were demonstrated at four different excitation wavelengths (325, 365, 388 and 405 nm), providing compelling evidence that the responses performance of the photo-detector can be effectively enhanced using piezo-phototronic effect. Moreover, the piezo-phototronic effect enhanced performance can be well elucidated by the corresponding energy band diagram.

Fabrication of Flower-like ZnO Micro/Nanostructures for Photodegradation of Pre-treated Palm Oil Mill Effluent

NASA Astrophysics Data System (ADS)

Lam, Sze-Mun; Wong, Kok-Ann; Sin, Jin-Chung

2018-01-01

Flower-like ZnO micro/nanostructures were fabricated by a simple and surfactant-free reflux method. X-ray diffraction findings showed that the prepared ZnO product was highly crystallite with hexagonal wurtzite structure. The band gap energy of ZnO sample was measured to be 3.18 eV via an optical reflectance spectrum. The flower-like morphological features of ZnO micro/nanostructures were witnessed through field-emission scanning electron microscopy. Such micro/nanoparticles could be used in the photodegradation of pre-treated palm oil mil effluent (POME) under UV irradiation.

Performance of Dye-Sensitized Solar Cells (DSSCs) Fabricated with Zinc Oxide (ZnO) Nanpowders and Nanorods

NASA Astrophysics Data System (ADS)

Chatterjee, Suman

2018-03-01

Due to their high efficiencies, along with lower production costs, many researchers are working on dye-sensitized solar cells (DSSCs) over last few decades as a substitute technology for nonconventional energy. Nanostructured ZnO has got many interesting properties such as wide band gap, large exciton binding energy, good exciton stability, and high breakdown strength, which are applicable as DSSC electrodes. This present work compares the device properties of DSSC fabricated using ZnO nanorods on a ZnO film and ZnO nanopowders. Different types of ZnO photoanode and dye combinations are used to study the stability and photovoltaic properties of the DSSC cell. The photovoltaic properties of the ZnO-based DSSC samples were systematically investigated. The photovoltaic properties of fabricated cell obtained are discussed in the light of band structure and density of states of different types of ZnO nanolayers. The ZnO nanorods fabricated through the sol-gel route have more uniform thickness resulting in enhanced photovoltaic properties of the fabricated device.

Enhancement of multiple-phonon resonant Raman scattering in Co-doped ZnO nanorods

NASA Astrophysics Data System (ADS)

Phan, The-Long; Vincent, Roger; Cherns, David; Dan, Nguyen Huy; Yu, Seong-Cho

2008-08-01

We have studied Raman scattering in Co-doped ZnO nanorods prepared by thermal diffusion. Experimental results show that the features of their non-resonant spectra are similar to Raman spectra from Co-doped ZnO materials investigated previously. Under resonant conditions, however, there is a strong enhancement of multiple-phonon Raman scattering processes. Longitudinal optical (LO)-phonon overtones up to eleventh order are observed. The modes become more obvious when the Co concentration diffused into ZnO nanorods goes to an appropriate value. This phenomenon is explained due to the shift of the band-gap energy and also due to the decrease in the intensity of near-band-edge luminescence. Our observation is in agreement with the prediction [J. F. Scott, Phys. Rev. B 2, 1209 (1970)] that the number of LO-phonon lines in ZnO is higher than that observed for CdS.

Dye anchored ZnO nanoparticles: The positive and negative photoluminescence quenching effects

NASA Astrophysics Data System (ADS)

Ganesh, T.; Kim, Jong Hoon; Yoon, Seog Joon; Lee, Sangjin; Lee, Wonjoo; Mane, Rajaram S.; Han, Jin Wook; Han, Sung-Hwan

2009-10-01

The positive and negative photoluminescence quenching effects in dye [BCMoxo and BCtCM (curcumin-derived molecules)] anchored ZnO nanoparticles (NPs) are investigated using the optical and electronic properties. The photoluminescence, band gap (BCMoxo, 2.2 eV; BCtCM, 2.3 eV), and wettability studies confirm an optical quenching, well-matched electronic structure and relative hydrophobic nature, respectively, in the presence of dicarboxylic anchor groups (BCtCM) on ZnO NPs in contrast to that of keto groups (BCMoxo). Systematic change in UV-visible absorption band edge is noticeable for the BCtCM and BCMoxo-anchored ZnO NPs. The atomic absorption spectroscopy and inductively coupled-mass-spectroscopy analysis quantitatively verifies the amount of BCtCM dye molecules present on ZnO NPs surface area about three times higher than that of BCMoxo dye molecule without anchor groups.

Empirical optimization of DFT  +  U and HSE for the band structure of ZnO.

PubMed

Bashyal, Keshab; Pyles, Christopher K; Afroosheh, Sajjad; Lamichhane, Aneer; Zayak, Alexey T

2018-02-14

ZnO is a well-known wide band gap semiconductor with promising potential for applications in optoelectronics, transparent electronics, and spintronics. Computational simulations based on the density functional theory (DFT) play an important role in the research of ZnO, but the standard functionals, like Perdew-Burke-Erzenhof, result in largely underestimated values of the band gap and the binding energies of the Zn 3d electrons. Methods like DFT  +  U and hybrid functionals are meant to remedy the weaknesses of plain DFT. However, both methods are not parameter-free. Direct comparison with experimental data is the best way to optimize the computational parameters. X-ray photoemission spectroscopy (XPS) is commonly considered as a benchmark for the computed electronic densities of states. In this work, both DFT  +  U and HSE methods were parametrized to fit almost exactly the binding energies of electrons in ZnO obtained by XPS. The optimized parameterizations of DFT  +  U and HSE lead to significantly worse results in reproducing the ion-clamped static dielectric tensor, compared to standard high-level calculations, including GW, which in turn yield a perfect match for the dielectric tensor. The failure of our XPS-based optimization reveals the fact that XPS does not report the ground state electronic structure for ZnO and should not be used for benchmarking ground state electronic structure calculations.

Empirical optimization of DFT  +  U and HSE for the band structure of ZnO

NASA Astrophysics Data System (ADS)

Bashyal, Keshab; Pyles, Christopher K.; Afroosheh, Sajjad; Lamichhane, Aneer; Zayak, Alexey T.

2018-02-01

ZnO is a well-known wide band gap semiconductor with promising potential for applications in optoelectronics, transparent electronics, and spintronics. Computational simulations based on the density functional theory (DFT) play an important role in the research of ZnO, but the standard functionals, like Perdew-Burke-Erzenhof, result in largely underestimated values of the band gap and the binding energies of the Zn3d electrons. Methods like DFT  +  U and hybrid functionals are meant to remedy the weaknesses of plain DFT. However, both methods are not parameter-free. Direct comparison with experimental data is the best way to optimize the computational parameters. X-ray photoemission spectroscopy (XPS) is commonly considered as a benchmark for the computed electronic densities of states. In this work, both DFT  +  U and HSE methods were parametrized to fit almost exactly the binding energies of electrons in ZnO obtained by XPS. The optimized parameterizations of DFT  +  U and HSE lead to significantly worse results in reproducing the ion-clamped static dielectric tensor, compared to standard high-level calculations, including GW, which in turn yield a perfect match for the dielectric tensor. The failure of our XPS-based optimization reveals the fact that XPS does not report the ground state electronic structure for ZnO and should not be used for benchmarking ground state electronic structure calculations.

Performance and stability analysis of curcumin dye as a photo sensitizer used in nanostructured ZnO based DSSC

NASA Astrophysics Data System (ADS)

Sinha, D.; De, D.; Ayaz, A.

2018-03-01

Environmental friendly natural dye curcumin extracted from low-cost Curcumina longa stem is used as a photo-sensitizer for the fabrication of ZnO-based dye-sensitized solar cells (DSSC). Nanostructured ZnO is fabricated on a transparent conducting glass (TCO), using a cost-effective chemical bath deposition technique. Scanning electron microscopic images show hexagonal patterned ZnO nano-towers decorated with several nanosteps. The average length of ZnO nano-tower is 5 μm and diameter is 1.2 μm. The UV-Vis spectroscopic study of the curcumin dye is used to understand the light absorption behavior as well as band gap energy of the extracted natural dye. The dye shows wider absorption band-groups over 350-470 nm and 500-600 nm with two peaks positioned at 425 nm and 525 nm. The optical band gap energy and energy band position of the dye is derived which supports its stability and high electron affinity that makes it suitable for light harvesting and effortless electron transfer from dye to the semiconductor or interface between them. FTIR spectrum of curcumin dye-sensitized ZnO-based DSSC shows the presence of anchoring groups and colouring constitutes. The I-V and P-V curves of the fabricated DSSC are measured under simulated light (100 mW/cm2). The highest visible light to electric conversion efficiency of 0.266% (using ITO) and 0.33% (using FTO) is achieved from the curcumin dye-sensitized cell.

Comparative study on Ga1-xZnxN1-yOy oxynitride synthesized by different techniques for application in photocatalytic hydrogen production

NASA Astrophysics Data System (ADS)

Menon, Sumithra Sivadas; Baskar, K.; Singh, Shubra

2017-06-01

Hydrogen evolution by overall water splitting has emerged as a potential method for green energy generation due to the introduction of highly efficient photocatalysts active under visible region of spectra. In the present work, we focus on a comparative study of the properties of Ga1-xZnxN1-yOy oxynitride samples synthesized by two techniques and their effect on the sample properties. The samples were prepared by both traditional nitridation technique and solution combustion method. Room temperature photoluminescence studies revealed the introduction of additional energy levels above the valence band which in turns broadens the valence band and subsequently reduces the band gap. The band gap narrowing was further confirmed using diffuse reflectance spectroscopy and Valence band X-ray photoelectron spectroscopy (VB-XPS). It was also realized from VB XPS that the reduction of band gap in both the samples was due to upshift of valence band without affecting the conduction band. The presence of disorder activated modes in the samples was examined using temperature dependent Raman spectroscopy. In this work we corroborate the theoretical prediction reported by Al-Jassim et. al that the bandgap narrowing mechanism in ZnO rich solid solution and GaN rich solid solution is asymmetric and a significant bandgap reduction could be observed for ZnO rich solid solution than GaN rich.

Electrical and optical properties of p-type codoped ZnO thin films prepared by spin coating technique

NASA Astrophysics Data System (ADS)

Pathak, Trilok Kumar; Kumar, Vinod; Swart, H. C.; Purohit, L. P.

2016-03-01

Undoped, doped and codoped ZnO thin films were synthesized on glass substrates using a spin coating technique. Zinc acetate dihydrate, ammonium acetate and aluminum nitrate were used as precursor for zinc, nitrogen and aluminum, respectively. X-ray diffraction shows that the thin films have a hexagonal wurtzite structure for the undoped, doped and co-doped ZnO. The transmittance of the films was above 80% and the band gap of the film varied from 3.20 eV to 3.24 eV for undoped and doped ZnO. An energy band diagram to describe the photoluminescence from the thin films was also constructed. This diagram includes the various defect levels and possible quasi-Fermi levels. A minimum resistivity of 0.0834 Ω-cm was obtained for the N and Al codoped ZnO thin films with p-type carrier conductivity. These ZnO films can be used as a window layer in solar cells and in UV lasers.

Vacancy defect and defect cluster energetics in ion-implanted ZnO

NASA Astrophysics Data System (ADS)

Dong, Yufeng; Tuomisto, F.; Svensson, B. G.; Kuznetsov, A. Yu.; Brillson, Leonard J.

2010-02-01

We have used depth-resolved cathodoluminescence, positron annihilation, and surface photovoltage spectroscopies to determine the energy levels of Zn vacancies and vacancy clusters in bulk ZnO crystals. Doppler broadening-measured transformation of Zn vacancies to vacancy clusters with annealing shifts defect energies significantly lower in the ZnO band gap. Zn and corresponding O vacancy-related depth distributions provide a consistent explanation of depth-dependent resistivity and carrier-concentration changes induced by ion implantation.

Insights on semiconductor-metal transition in indium-doped zinc oxide from x-ray photoelectron spectroscopy, time-of-flight secondary ion mass spectrometry and x-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saw, K. G., E-mail: kgsaw@usm.my; Aznan, N. M., E-mail: nanieaz1004@gmail.com; Yam, F. K., E-mail: yamfk@yahoo.com

2016-07-06

ZnO thin films doped with various amounts of In impurities were prepared by magnetron sputtering at a substrate temperature of 150°C. The shift in optical bandgap of the In-doped ZnO films is studied as a function of carrier concentration. Nominally doped ZnO films exhibit an increase in the measured optical band gap known as the Burstein-Moss effect. Dominant band gap narrowing is observed with increased doping. XPS and TOFSIMS analyses confirm that In is incorporated in the ZnO material. The In 3d peaks show that no metallic In is present as a result of heavy doping. The XRD phase analysismore » shows a preferential c-axis growth but a shift of the ZnO (002) peak to lower 2-theta values with increasing FWHM as the carrier concentration increases indicates the decline in the quality of crystallinity. An elongation of the c lattice constant is also observed and is likely to be caused by intersitital In as the amount of In dopants increases. The incorporation of In induces a semiconductor-metal transition between the carrier concentrations of 3.58 – 5.61×10{sup 19} cm{sup −3} and structural changes in the ZnO host material.« less

Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schleife, A; Bechstedt, F

2012-02-15

Many-body perturbation theory is applied to compute the quasiparticle electronic structures and the optical-absorption spectra (including excitonic effects) for several transparent conducting oxides. We discuss HSE+G{sub 0}W{sub 0} results for band structures, fundamental band gaps, and effective electron masses of MgO, ZnO, CdO, SnO{sub 2}, SnO, In{sub 2}O{sub 3}, and SiO{sub 2}. The Bethe-Salpeter equation is solved to account for excitonic effects in the calculation of the frequency-dependent absorption coefficients. We show that the HSE+G{sub 0}W{sub 0} approach and the solution of the Bethe-Salpeter equation are very well-suited to describe the electronic structure and the optical properties of various transparentmore » conducting oxides in good agreement with experiment.« less

Structural and optical properties of DC magnetron sputtered ZnO films on glass substrate and their modification by Ag ions implantation

NASA Astrophysics Data System (ADS)

Ahmad, R.; Afzal, Naveed; Amjad, U.; Jabbar, S.; Hussain, T.; Hussnain, A.

2017-07-01

This work is focused on investigating the effects of deposition time and Ag ions implantation on structural and optical properties of ZnO film. The ZnO film was prepared on glass substrate by pulsed DC magnetron sputtering of pure Zn target in reactive oxygen environment for 2 h, 3 h, 4 h and 5 h respectively. X-ray diffraction results revealed polycrystalline ZnO film whose crystallinity was improved with increase of the deposition time. The morphological features indicated agglomeration of smaller grains into larger ones by increasing the deposition time. The UV-vis spectroscopy analysis depicted a small decrease in the band gap of ZnO from 3.36 eV to 3.27 eV with increase of deposition time. The Ag ions implantation in ZnO films deposited for 5 h on glass was carried out by using Pelletron Accelerator at different ions fluences ranging from 1  ×  1011 ions cm-2 to 2  ×  1012 ions cm-2. XRD patterns of Ag ions implanted ZnO did not show significant change in crystallite size by increasing ions fluence from 1  ×  1011 ions cm-2 to 5  ×  1011 ions cm-2. However, with further increase of the ions fluence, the crystallite size was decreased. The band gap of Ag ions implanted ZnO indicated anomalous variations with increase of the ions fluence.

Effect of varying Ga content in ZnO:GaN solid solution synthesized by solution combustion technique for photocatalytic applications

NASA Astrophysics Data System (ADS)

Menon, Sumithra Sivadas; Janani, R.; Baskar, K.; Gupta, Bhavana; Singh, Shubra

2017-05-01

ZnO:GaN (oxy)nitride solid solution has been established as the most efficient non-oxide photocatalyst for water splitting under visible irradiation with one step photoexcitation and also boasts a band gap tunability from 2.8 eV to 2.5 eV[1]. The solid solution of GaN in ZnO is formed by the intersubstitution of few of Zn/O ions by Ga/N ions, and this results in the introduction of new defect levels above the valence band which narrows the effective band gap enabling activity under visible region of spectra. In this work, we report the synthesis of ZnO:GaN solid solution by a solution combustion technique where metal nitrates and urea are used as precursors. The Zn/Ga ratio was varied from 16 to 1 in the precursors. The as synthesized samples were characterized as phase pure by X-ray diffraction, where the wurtzite structure was retained up to Zn/Ga ratio of 5. The Diffuse reflectance spectroscopy studies revealed that as the Ga content in the solid solution increases there is a reduction in band gap, from 2.9 eV to 2.4 eV. The reduced band gap of the samples facilitates its photocatalytic activity under visible region of the spectra as evaluated by photoelectrochemical measurements.

Fabrication of stable, wide-bandgap thin films of Mg, Zn and O

DOEpatents

Katiyar, Ram S.; Bhattacharya, Pijush; Das, Rasmi R.

2006-07-25

A stable, wide-bandgap (approximately 6 eV) ZnO/MgO multilayer thin film is fabricated using pulsed-laser deposition on c-plane Al₂O₃ substrates. Layers of ZnO alternate with layers of MgO. The thickness of MgO is a constant of approximately 1 nm; the thicknesses of ZnO layers vary from approximately 0.75 to 2.5 nm. Abrupt structural transitions from hexagonal to cubic phase follow a decrease in the thickness of ZnO sublayers within this range. The band gap of the thin films is also influenced by the crystalline structure of multilayer stacks. Thin films with hexagonal and cubic structure have band-gap values of 3.5 and 6 eV, respectively. In the hexagonal phase, Mg content of the films is approximately 40%; in the cubic phase Mg content is approximately 60%. The thin films are stable and their structural and optical properties are unaffected by annealing at 750.degree. C.

Effect of sintering on optical, structural and photoluminescence properties of ZnO thin films prepared by sol-gel process.

PubMed

Vishwas, M; Narasimha Rao, K; Arjuna Gowda, K V; Chakradhar, R P S

2010-09-15

Zinc oxide (ZnO) thin films have been deposited on glass substrates via sol-gel technique using zinc acetate dihydrate as precursor by spin coating of the sol at 2000 rpm. Effects of annealing temperature on optical, structural and photo luminescence properties of the deposited ZnO films have been investigated. The phase transition from amorphous to polycrystalline hexagonal wurtzite structure was observed at an annealing temperature of 400 degrees C. An average transmittance of 87% in the visible region has been obtained at room temperature. The optical transmittance has slightly increased with increase of annealing temperature. The band gap energy was estimated by Tauc's method and found to be 3.22 eV at room temperature. The optical band gap energy has decreased with increasing annealing temperature. The photoluminescence (PL) intensity increased with annealing temperature up to 200 degrees C and decreased at 300 degrees C. Copyright 2010 Elsevier B.V. All rights reserved.

Structure and optical properties of ZnO produced from microwave hydrothermal hydrolysis of tris(ethylenediamine)zinc nitrate complex

NASA Astrophysics Data System (ADS)

Mostafa, Nasser Y.; Heiba, Zein K.; Ibrahim, Mohamed M.

2015-01-01

ZnO powders were synthesized using a solution microwave hydrothermal hydrolysis process and tris(ethylenediamine)zinc nitrate {[Zn(en)3](NO3)2} (en = ethylenediamine) as a precursor. Hydrolysis of the precursor complex at different pH produced zinc oxide with a diversity of well-defined morphologies. The effect of hydrolysis pH values on the structural and optical properties has been explored using XRD, SEM, and UV-visible diffuse reflectance spectroscopy (DRS). At pH = 7.0, randomly dispersed rods were formed. Whereas flower-like morphologies were obtained by treating the complex precursor in water at pH = 10.0 and 12.0. The ZnO4 tetrahedrons are greatly affected by the pH value. The band gap decreased sharply with increasing the pH value from 7.0 to 10.0, then slightly decreased with further increasing the pH to 12.0. The relationship between band gap and both structure and surface defects of the samples is also discussed.

Synthesis of nanocrystalline ZnO thin films by electron beam evaporation

NASA Astrophysics Data System (ADS)

Kondkar, V.; Rukade, D.; Bhattacharyya, V.

2018-05-01

Nanocrystalline ZnO thin films have potential for applications in variety of optoelectronic devices. In the present study, nanocrystalline thin films of ZnO are grown on fused silica substrate using electron beam (e-beam) evaporation technique. Phase identification is carried out using Glancing angle X-ray diffraction (GAXRD) and Raman spectroscopy. Ultraviolet-Visible (UV-Vis) spectroscopic analysis is carried out to calculate energy band gap of the ZnO film. Surface morphology of the film is investigated using atomic force microscopy (AFM) and field emission scanning electron microscopy (FESEM). Highly quality nanocrystalline thin films of hexagonal wurtzite ZnO are synthesized using e-beam evaporation technique.

Magneto-optical properties of α-Fe2O3@ZnO nanocomposites prepared by the high energy ball-milling technique

NASA Astrophysics Data System (ADS)

Chaudhury, Chandana Roy; Roychowdhury, Anirban; Das, Anusree; Das, Dipankar

2016-05-01

Magnetic-fluorescent nanocomposites (NCs) with 10 wt% of α-Fe2O3 in ZnO have been prepared by the high energy ball-milling. The crystallite sizes of α-Fe2O3 and ZnO in the NCs are found to vary from 65 nm to 20 nm and 47 nm to 15 nm respectively as milling time is increased from 2 to 30 h. XRD analysis confirms presence of α-Fe2O3 and ZnO in pure form in all the NCs. UV-vis study of the NCs shows a continuous blue-shift of the absorption peak and a steady increase of band gap of ZnO with increasing milling duration that are assigned to decreasing particle size of ZnO in the NCs. Photoluminescence (PL) spectra of the NCs reveal three weak emission bands in the visible region at 421, 445 and 485 nm along with the strong near band edge emission at 391 nm. These weak emission bands are attributed to different defect - related energy levels e.g. Zn-vacancy, Zn interstitial and oxygen vacancy. Dc and ac magnetization measurements show presence of weakly interacting superparamagnetic (SPM) α-Fe2O3 particles in the NCs. 57Fe-Mössbauer study confirms presence of SPM hematite in the sample milled for 30 h. Positron annihilation lifetime measurements indicate presence of cation vacancies in ZnO nanostructures confirming results of PL studies.

Automated electrochemical synthesis and photoelectrochemical characterization of Zn1-xCo(x)O thin films for solar hydrogen production.

PubMed

Jaramillo, Thomas F; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan; Choi, Kyoung-Shin; Stucky, Galen D; McFarland, Eric W

2005-01-01

High-throughput electrochemical methods have been developed for the investigation of Zn1-xCo(x)O films for photoelectrochemical hydrogen production from water. A library of 120 samples containing 27 different compositions (0

Influence of Atomic Hydrogen, Band Bending, and Defects in the Top Few Nanometers of Hydrothermally Prepared Zinc Oxide Nanorods

NASA Astrophysics Data System (ADS)

Al-Saadi, Mubarak J.; Al-Harthi, Salim H.; Kyaw, Htet H.; Myint, Myo T. Z.; Bora, Tanujjal; Laxman, Karthik; Al-Hinai, Ashraf; Dutta, Joydeep

2017-01-01

We report on the surface, sub-surface (top few nanometers) and bulk properties of hydrothermally grown zinc oxide (ZnO) nanorods (NRs) prior to and after hydrogen treatment. Upon treating with atomic hydrogen (H*), upward and downward band bending is observed depending on the availability of molecular H2O within the structure of the NRs. In the absence of H2O, the H* treatment demonstrated a cleaning effect of the nanorods, leading to a 0.51 eV upward band bending. In addition, enhancement in the intensity of room temperature photoluminescence (PL) signals due to the creation of new surface defects could be observed. The defects enhanced the visible light activity of the ZnO NRs which were subsequently used to photocatalytically degrade aqueous phenol under simulated sunlight. On the contrary, in the presence of H2O, H* treatment created an electronic accumulation layer inducing downward band bending of 0.45 eV ( 1/7th of the bulk ZnO band gap) along with the weakening of the defect signals as observed from room temperature photoluminescence spectra. The results suggest a plausible way of tailoring the band bending and defects of the ZnO NRs through control of H2O/H* species.

Negative thermal quenching of photoluminescence in zinc oxide nanowire-core/graphene-shell complexes.

PubMed

Lin, S S; Chen, B G; Xiong, W; Yang, Y; He, H P; Luo, J

2012-09-10

Graphene is an atomic thin two-dimensional semimetal whereas ZnO is a direct wide band gap semiconductor with a strong light-emitting ability. In this paper, we report on photoluminescence (PL) of ZnO-nanowires (NWs)-core/Graphene-shell heterostructures, which shows a negative thermal quenching (NTQ) behavior both for the near band-edge and deep level emission. The abnormal PL behavior was understood through the charging and discharging processes between ZnO NWs and graphene. The NTQ properties are most possibly induced by the unique rapidly increasing density of states of graphene as a function of Fermi level, which promises a higher quantum tunneling probability between graphene and ZnO at a raised temperature.

Strong compensation hinders the p-type doping of ZnO: a glance over surface defect levels

NASA Astrophysics Data System (ADS)

Huang, B.

2016-07-01

We propose a surface doping model of ZnO to elucidate the p-type doping and compensations in ZnO nanomaterials. With an N-dopant, the effects of N on the ZnO surface demonstrate a relatively shallow acceptor level in the band gap. As the dimension of the ZnO materials decreases, the quantum confinement effects will increase and render the charge transfer on surface to influence the shifting of Fermi level, by evidence of transition level changes of the N-dopant. We report that this can overwhelm the intrinsic p-type conductivity and transport of the ZnO bulk system. This may provide a possible route of using surface doping to modify the electronic transport and conductivity of ZnO nanomaterials.

Synthesis, structural and optical properties of ZnO spindle/reduced graphene oxide composites with enhanced photocatalytic activity under visible light irradiation

NASA Astrophysics Data System (ADS)

Prabhu, S.; Pudukudy, M.; Sohila, S.; Harish, S.; Navaneethan, M.; Navaneethan, D.; Ramesh, R.; Hayakawa, Y.

2018-05-01

In the present work, spindle-shaped ZnO and reduced graphene oxide sheets were successfully synthesized by a hydrothermal method and then ZnO/r-GO composite was prepared by a direct solution mixing method. Various characterization results confirmed the interior and surface decoration of spindle-shaped ZnO on the reduced graphene oxide sheets. The phase formation, crystalline structure, morphology, surface states and optical properties were characterized using Powder X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Fourier Transform Infrared Spectroscopy (FTIR) and UV-Vis spectroscopy. The X-ray diffraction analysis showed the formation of the hexagonal wurtzite crystalline structure of ZnO with high crystalline quality. The band gap of the ZnO/r-GO composite was found to be low (3.03eV) compared to the band gap of spindle shaped ZnO (3.13 eV), as calculated from optical studies. The spindle-like morphology of the single crystalline ZnO was clearly shown in the electron microscopic images. The chemical bonding and surface states of the samples were studied using XPS measurement. Moreover, a possible growth mechanism for the ZnO spindle was proposed. The catalytic activity of the as-synthesized samples was evaluated for the photodegradation of methylene blue under visible light irradiation. Among the synthesized samples, the ZnO/r-GO composite showed higher degradation efficiency of 93% and successfully reused for four consecutive run without any activity loss.

Study of quantum confinement effects in ZnO nanostructures

NASA Astrophysics Data System (ADS)

Movlarooy, Tayebeh

2018-03-01

Motivation to fact that zinc oxide nanowires and nanotubes with successful synthesis and the mechanism of formation, stability and electronic properties have been investigated; in this study the structural, electronic properties and quantum confinement effects of zinc oxide nanotubes and nanowires with different diameters are discussed. The calculations within density functional theory and the pseudo potential approximation are done. The electronic structure and energy gap for Armchair and zigzag ZnO nanotubes with a diameter of about 4 to 55 Angstrom and ZnO nanowires with a diameter range of 4 to 23 Å is calculated. The results revealed that due to the quantum confinement effects, by reducing the diameter of nanowires and nanotubes, the energy gap increases. Zinc oxide semiconductor nanostructures since having direct band gap with size-dependent and quantum confinement effect are recommended as an appropriate candidate for making nanoscale optoelectronic devices.

Hydrothermal synthesis of In2O3 nanoparticles hybrid twins hexagonal disk ZnO heterostructures for enhanced photocatalytic activities and stability

NASA Astrophysics Data System (ADS)

Liu, Hairui; Zhai, Haifa; Hu, Chunjie; Yang, Jien; Liu, Zhiyong

2017-07-01

In2O3 nanoparticles hybrid twins hexagonal disk (THD) ZnO with different ratios were fabricated by a hydrothermal method. The as-obtained ZnO/In2O3 composites are constituted by hexagonal disks ZnO with diameters of about 1 μm and In2O3 nanoparticles with sizes of about 20-50 nm. With the increase of In2O3 content in ZnO/In2O3 composites, the absorption band edges of samples shifted from UV to visible light region. Compared with pure ZnO, the ZnO/In2O3 composites show enhanced photocatalytic activities for degradation of methyl orange (MO) and 4-nitrophenol (4-NP) under solar light irradiation. Due to suitable alignment of their energy band-gap structure of the In2O3 and ZnO, the formation of type п heterostructure can enhance efficient separation of photo-generate electro-hole pairs and provides convenient carrier transfer paths.

Tuning the Band Bending and Controlling the Surface Reactivity at Polar and Nonpolar Surfaces of ZnO through Phosphonic Acid Binding.

PubMed

McNeill, Alexandra R; Hyndman, Adam R; Reeves, Roger J; Downard, Alison J; Allen, Martin W

2016-11-16

ZnO is a prime candidate for future use in transparent electronics; however, development of practical materials requires attention to factors including control of its unusual surface band bending and surface reactivity. In this work, we have modified the O-polar (0001̅), Zn-polar (0001), and m-plane (101̅0) surfaces of ZnO with phosphonic acid (PA) derivatives and measured the effect on the surface band bending and surface sensitivity to atmospheric oxygen. Core level and valence band synchrotron X-ray photoemission spectroscopy was used to measure the surface band bending introduced by PA modifiers with substituents of opposite polarity dipole moment: octadecylphosphonic acid (ODPA) and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylphosphonic acid (F 13 OPA). Both PAs act as surface electron donors, increasing the downward band bending and the strength of the two-dimensional surface electron accumulation layer on all of the ZnO surfaces investigated. On the O-polar (0001̅) and m-plane (101̅0) surfaces, the ODPA modifier produced the largest increase in downward band bending relative to the hydroxyl-terminated unmodified surface of 0.55 and 0.35 eV, respectively. On the Zn-polar (0001) face, the F 13 OPA modifier gave the largest increase (by 0.50 eV) producing a total downward band bending of 1.00 eV, representing ∼30% of the ZnO band gap. Ultraviolet (UV) photoinduced surface wettability and photoconductivity measurements demonstrated that the PA modifiers are effective at decreasing the sensitivity of the surface toward atmospheric oxygen. Modification with PA derivatives produced a large increase in the persistence of UV-induced photoconductivity and a large reduction in UV-induced changes in surface wettability.

Magnetically addressable fluorescent Fe3O4/ZnO nanocomposites: Structural, optical and magnetization studies

NASA Astrophysics Data System (ADS)

Roychowdhury, A.; Pati, S. P.; Mishra, A. K.; Kumar, S.; Das, D.

2013-06-01

Fe3O4/ZnO nanocomposites (NCs) are prepared by a wet chemical route. X-ray diffraction, transmission electron microscopy and Fourier transform infrared spectroscopy studies confirm the coexistence of Fe3O4 and ZnO phases in the NCs. The UV-vis absorption spectra show a red shift of the absorption peak with increase in Fe3O4 content indicating a modification of the band structure of ZnO in the NCs. Photoluminescence emission spectra of the NCs display strong excitonic emission in the UV region along with weak emission bands in the visible range caused by electronic transitions involving defect-related energy levels in the band gap of ZnO. Positron annihilation lifetimes indicate that cation vacancies in the ZnO structure are the strong traps for positrons and the overall defect concentration in the NCs decreases with increase in Fe3O4 content. Dc magnetization measurements reveal an anomalous temperature dependence of the coercivity of the NCs that is argued to be due to the anomalous variation of magnetocrystalline anisotropy at lower temperature. The irreversibility observed in the temperature dependent ZFC-FC magnetization points to the presence of a spin-glass phase in the NCs.

Miniaturized accelerometer made with ZnO nanowires

NASA Astrophysics Data System (ADS)

Song, Sangho; Kim, Jeong Woong; Kim, Hyun Chan; Yun, Youngmin; Kim, Jaehwan

2017-04-01

Miniaturized accelerometer is required in many applications, such as, robotics, haptic devices, gyroscopes, simulators and mobile devices. ZnO is an essential semiconductor material with wide direct band gap, thermal stability and piezoelectricity. Especially, well aligned ZnO nanowire is appropriate for piezoelectric applications since it can produce high electrical signal under mechanical load. To miniaturize accelerometer, an aligned ZnO nanowire is adopted to implement active piezoelectric layer of the accelerometer and copper is chosen for the head mass. To grow ZnO nanowire on the copper head mass, hydrothermal synthesis is conducted and the effect of ZnO nanowire length on the accelerometer performance is investigated. Refresh hydrothermal synthesis can increase the length of ZnO nanowire. The performance of the fabricated ZnO accelerometers is compared with a commercial accelerometer. Sensitivity and linearity of the fabricated accelerometers are investigated.

Structural, optical, and electrical properties of Ni-doped ZnO nanorod arrays prepared via sonicated sol-gel immersion method

NASA Astrophysics Data System (ADS)

Ismail, A. S.; Mamat, M. H.; Malek, M. F.; Saidi, S. A.; Yusoff, M. M.; Mohamed, R.; Sin, N. D. Md; Suriani, A. B.; Rusop, M.

2018-05-01

Nickel (Ni)-doped zinc oxide (ZnO) nanorod array films were synthesised using sonicated sol-gel immersion method. The FESEM images showed that the Ni-doped ZnO nanorod arrays possess hexagonal shape with average diameter about 120 nm and thickness about 1.10 µm. The Ni-doped ZnO nanorod arrays possess better transmittance properties with 3.27 eV of optical band gap energy and 40 meV of urbach energy. The current-voltage (I-V) measurement indicated that the conductivity of ZnO film slightly improved with Ni-doping. The doped film displayed good humidity sensing performance with sensitivity of 1.21.

Zn2+ in-situ substitution behavior during the formation of BaTiO3 coatings from plasma-sprayed powders collected in liquid nitrogen

NASA Astrophysics Data System (ADS)

Liu, Zhe; Xing, Zhiguo; Wang, Haidou; Xue, Zifan; Chen, Shuying; Cui, Xiufang; Jin, Guo

2018-04-01

The dielectric performance of BaTiO3 ceramic coatings is enhanced significantly by the addition of ZnO. In this study, the maximum relative permittivity value (εr ≈ 923) was measured in BaTiO3 coatings with ZnO added at 6 wt%. The Curie temperature (Tc) was in the range of 111 °C-121 °C for all of the ZnO-modified BaTiO3 coatings. Tc shifted to low temperatures as the ZnO content increased. Detailed analyses were performed to determine the phase composition and optical band gaps of powders collected in liquid nitrogen, which showed that the Zn2+ ions were incorporated into the BaTiO3 lattice where they substituted into the Ti4+ sites, and the composite powders (BaTiO3 + 6 wt% ZnO) tolerated high temperatures in the plasma beam. In addition, some residual Zn accumulated in the grain boundary in the form of ZnO. X-ray diffraction and Raman spectroscopy showed that the substitution led to changes in the compositional and structural properties. The red shift in the optical band gap of BaTiO3 indicated that the ZnTi'' defects caused by the dopants acted as carriers in the doped BaTiO3 coatings.

Structural and optical properties of pure and copper doped zinc oxide nanoparticles

NASA Astrophysics Data System (ADS)

Sajjad, Muhammad; Ullah, Inam; Khan, M. I.; Khan, Jamshid; Khan, M. Yaqoob; Qureshi, Muhammad Tauseef

2018-06-01

Pure and copper-doped zinc oxide nanoparticles (NPs) have been synthesized via chemical co-precipitation method where hydrazine is used as reducing agent and aqueous extract of Euphorbia milii plant as capping agent. Main objectives of the reported work are to investigate the effect of copper doping on crystal structure of ZnO nanoparticles; to study the effect of copper doping on optical band gap of ZnO nanoparticles and photoluminescence (PL) study of pure and copper-doped ZnO nanoparticles. To achieve the aforementioned objectives, XRD and SEM tests were performed for the identification and confirmation of crystal structure and morphology of the prepared samples. From XRD data the average grain size for pure ZnO was observed to be 24.62 nm which was first decreased to 18.95 nm for 5 wt% Cu-doped sample and then it was found to increase up to 37.80 nm as the Cu doping was increased to 7 wt%. Optical band gap of pure and Cu-doped ZnO nanoparticles was calculated from diffuse reflectance spectroscopy (DRS) spectra and was found to decrease from 3.13 eV to 2.94 eV as the amount of Cu increases up to 7 wt%. In photoluminescence study, PL technique was used and enhanced visible spectrum was observed. For further characterization FT-IR and EDX tests were also carried out.

Polymer Assisted Functional Ceramic Nanofibrous Structures for Potential Optoelectronic and Photocatalytic Applications

NASA Astrophysics Data System (ADS)

Aykut, Yakup

The use of fossil fuels adversely effects the environment and hence increases global warming. On the other hand the lack of fuel reservoirs triggers people to find environmentally friendly new energy sources. Solar cell technology is one of the developing energy production technologies in green productions. Currently, many solar cells are made of highly purified silicon crystals. However silicon based solar cells have high energy conversion efficiency, they are highly brittle, expensive, and time consuming during the fabrication process. Organic and metal oxide based photovoltaic materials are a more cost-effective alternative to silicon based solar cells. In ceramic materials, Titanium dioxide (TiO2), zinc oxide (ZnO) and magnesium zinc oxide (MgxZn 1-xO) have intensive research interest owing to their optoelectronic and photocatalytic properties, and they have been used in dye sensitized solar cells as electron acceptor layer due to their high band gap properties and having low conduction band levels than electron donor dye molecules or quantum dots. On the other hand, energy band levels of the ceramic materials are considerable affected by their crystal microstructures, shapes and doping materials. Because of their high surface to volume ratio, nanofibers are suitable as active energy conversions layers in organic and dye sensitized solar cells. Using nanofibrous ceramic structure instead of film provides higher energy conversion efficiency since the high surface areas of the electrospun mats may accommodate a greater concentration of dye molecules or quantum dots, which could result in greater efficiency of electron transfer within the material, as compared to traditional film-based technologies. Also, the continuous structure of nanofibers may allow for effective electron transfer as a result of the direct conduction pathway of the photoelectrons along the fibers. Moreover, 3D structures of nanofibrous mat allow scattering and absorbing the photons multiple times. Sol-Gel electrospinning procedure has been widely used to obtain ceramic nanofibers. Briefly, at sol-gel electrospinning procedure, a carrier polymer and ceramic precursor is dissolved in an appropriate solvent, and polymer/ceramic precursor composite nanofibers are produced with a following electrospinning process. Then, as spun nanofibers are calcined at high temperatures to remove polymer and other organic residues from the fibers and convert ceramic precursor into ceramic nanofibers. We investigate temperature dependent crystal phase transformations of electrospun TiO2 nanofibers regardless of other parameters and observed their microstructures and optical properties due to different calcination temperatures. Quantum dots are semi conductive metallic nanocrystals with very wide light absorption range in UV, visible and even in near-infrared regions depending on the size of the quantum dots. On the other hand, TiO2 is a high band gap semiconductor material and absorbs the light in UV range that limits its photovoltaic applications. In order to extend its light absorption through visible region, we sensitized and incorporated low band gap CdSe quantum dot on electrospun TiO2 nanofibers. Zinc oxide (ZnO) is another high band gap ceramic materials with promising optical properties have been used for photonic applications. Intrinsic lattice defects in ZnO are one of the main limitation factors that affect the device performance tremendously and could be controlled due to fabrication process. We investigated the effect of different type of surfactants with different charge groups on fiber morphology, microstructure and optical properties of sol-gel electrospun ZnO nanofibers. Finally, in order to tune band gap energy level of ZnO nanofibers to higher values, we doped Mg2+ into ZnO nanofibers. Because Zn2+ and Mg2+ have similar atomic radii, some of Zn2+ ions are replaced with Mg 2+ ions in the structure to produce different "x" value of MgxZn1-xO due to amount of Mg content. We produced tuned band gap MgxZn1-xO nanofibers via sol-gel electrospinning.

Effect of substrates and thickness on optical properties in atomic layer deposition grown ZnO thin films

NASA Astrophysics Data System (ADS)

Pal, Dipayan; Singhal, Jaya; Mathur, Aakash; Singh, Ajaib; Dutta, Surjendu; Zollner, Stefan; Chattopadhyay, Sudeshna

2017-11-01

Atomic Layer Deposition technique was used to grow high quality, very low roughness, crystalline, Zinc Oxide (ZnO) thin films on silicon (Si) and fused quartz (SiO2) substrates to study the optical properties. Spectroscopic ellipsometry results of ZnO/Si system, staggered type-II quantum well, demonstrate that there is a significant drop in the magnitudes of both the real and imaginary parts of complex dielectric constants and in near-band gap absorption along with a blue shift of the absorption edge with decreasing film thickness at and below ∼20 nm. Conversely, UV-vis absorption spectroscopy of ZnO/SiO2, thin type-I quantum well, consisting of a narrower-band gap semiconductor grown on a wider-band gap (insulator) substrate, shows the similar thickness dependent blue-shift of the absorption edge but with an increase in the magnitude of near-band gap absorption with decreasing film thickness. Thickness dependent blue shift, energy vs. 1/d2, in two different systems, ZnO/Si and ZnO/SiO2, show a difference in their slopes. The observed phenomena can be consistently explained by the corresponding exciton (or carrier/s) deconfinement and confinement effects at the ZnO/Si and ZnO/SiO2 interface respectively, where Tanguy-Elliott amplitude pre-factor plays the key role through the electron-hole overlap factor at the interface.

Hydrogen-related complexes in Li-diffused ZnO single crystals

DOE PAGES

Corolewski, Caleb D.; Parmar, Narendra S.; Lynn, Kelvin G.; ...

2016-07-21

Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li 2O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>10 19 cm -3). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm -1, attributed to surface O-H species. When Li 2COmore » 3 is used, a structured blue luminescence band and O-H mode at 3327 cm -1 are observed at 10K. These observations, along with positron annihilation measurements, suggest a zinc vacancy–hydrogen complex, with an acceptor level 0.3 eV above the valence-band maximum. In conclusion, this relatively shallow acceptor could be beneficial for p-type ZnO.« less

Sputtered deposited nanocrystalline ZnO films: A correlation between electrical, optical and microstructural properties

NASA Astrophysics Data System (ADS)

Lee, J.; Gao, W.; Li, Z.; Hodgson, M.; Metson, J.; Gong, H.; Pal, U.

2005-05-01

Zinc oxide thin films were prepared by dc (direct current) and rf (radio frequency) magnetron sputtering on glass substrates. ZnO films produced by dc sputtering have a high resistance, while the films produced using rf sputtering are significantly more conductive. While the conductive films have a compact nodular surface morphology, the resistive films have a relatively porous surface with columnar structures in cross section. Compared to the dc sputtered films, rf sputtered films have a microstructure with smaller d spacing, lower internal stress, higher band gap energy and higher density. Dependence of conductivity on the deposition technique and the resulting d spacing , stress, density, band gap, film thickness and Al doping are discussed. Correlations between the electrical conductivity, microstructural parameters and optical properties of the films have been made.

Nanocrystalline ZnON; High mobility and low band gap semiconductor material for high performance switch transistor and image sensor application

PubMed Central

Lee, Eunha; Benayad, Anass; Shin, Taeho; Lee, HyungIk; Ko, Dong-Su; Kim, Tae Sang; Son, Kyoung Seok; Ryu, Myungkwan; Jeon, Sanghun; Park, Gyeong-Su

2014-01-01

Interest in oxide semiconductors stems from benefits, primarily their ease of process, relatively high mobility (0.3–10 cm2/vs), and wide-bandgap. However, for practical future electronic devices, the channel mobility should be further increased over 50 cm2/vs and wide-bandgap is not suitable for photo/image sensor applications. The incorporation of nitrogen into ZnO semiconductor can be tailored to increase channel mobility, enhance the optical absorption for whole visible light and form uniform micro-structure, satisfying the desirable attributes essential for high performance transistor and visible light photo-sensors on large area platform. Here, we present electronic, optical and microstructural properties of ZnON, a composite of Zn3N2 and ZnO. Well-optimized ZnON material presents high mobility exceeding 100 cm2V−1s−1, the band-gap of 1.3 eV and nanocrystalline structure with multiphase. We found that mobility, microstructure, electronic structure, band-gap and trap properties of ZnON are varied with nitrogen concentration in ZnO. Accordingly, the performance of ZnON-based device can be adjustable to meet the requisite of both switch device and image-sensor potentials. These results demonstrate how device and material attributes of ZnON can be optimized for new device strategies in display technology and we expect the ZnON will be applicable to a wide range of imaging/display devices. PMID:24824778

Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

NASA Astrophysics Data System (ADS)

Datta, Soumendu; Kaphle, Gopi Chandra; Baral, Sayan; Mookerjee, Abhijit

2015-08-01

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO)24 nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO)24 nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The present study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.

Praseodymium - A Competent Dopant for Luminescent Downshifting and Photocatalysis in ZnO Thin Films

NASA Astrophysics Data System (ADS)

Narayanan, Nripasree; Deepak, N. K.

2018-05-01

Highly transparent and conducting Zinc oxide (ZnO) thin films doped with Praseodymium (Pr) were deposited on glass substrates by using the spray pyrolysis method. The X-ray diffraction (XRD) analysis revealed the polycrystallinity of the deposited films with a hexagonal wurtzite structure, whereas the energy-dispersive X-ray spectroscopy (EDX) analysis confirmed the incorporation of Pr in the films. The optical energy gap decreased by Pr doping due to the merging of the conduction band with the impurity bands formed within the forbidden gap. The room temperature photoluminescence spectra of the Pr-doped film showed enhancement of visible emission, suggesting efficient luminescent downshifting. The photocatalytic activity of the Pr-doped films is higher than that of undoped films due to the effective suppression of the rapid recombination of the photo-generated electron-hole pairs. The impurity levels formed within the forbidden gap act as efficient luminescent centers and electron traps, which lead to luminescent downshifting and enhanced photocatalytic activity.

Zn1-xAlxO:Cu2O transparent metal oxide composite thin films by sol gel method

NASA Astrophysics Data System (ADS)

AlHammad, M. S.

2017-05-01

We have synthesized undoped zinc oxide (ZnO) and Cu2O doped Zn1-XAlXO (AZO; Al/Zn = 1.5 at.%) metal oxide films by sol-gel spin coating method. Atomic force microscopy results indicate that the Zn1-xAlxO:Cu2O is are formed form the fibers. The surface morphology of the films is found to depend on the concentration of Cu2O. The optical constants such as band gap, Urbach energy, refractive index, extinction coefficient and dielectric constants of the films were determined. The transmittance spectra shows that all the films are highly transparent. The study revealed that undoped ZnO film has direct bang gap of 3.29 eV and the optical band gap of films is increased with doping content. The hot probe measurements indicate that Zn1-xAlxO:Cu2O transparent metal oxide composite thin films exhibited p-type electrical conductivity.

Influence of annealing temperature on optical properties of Al doped ZnO nanoparticles via sol-gel methods

NASA Astrophysics Data System (ADS)

Rashid, Affa Rozana Abd; Hazwani, Tuan Nur; Mukhtar, Wan Maisarah; Taib, Nur Athirah Mohd

2018-06-01

Zinc oxide (ZnO) thin films have become technologically important materials due to their wide range of electrical and optical properties. The characteristics can be further adjusted by adequate doping processes. The effect of dopant concentration of Al, heating treatment and annealing in reducing atmosphere on the optical properties of the thin films is discussed. Undoped and aluminum-doped zinc oxide (AZO) thin films are prepared by the sol-gel method. Zinc acetate dihydrate, 2-methoxyethanol and monoethanolamine are used as precursor, solvent and stabilizer. In the case of AZO, aluminum nitrate nanohydrate is added to the precursor solution with an atomic percentage equal to 0 %, 1 %, 2 % and 3 % of Al. The multi thin layers are transformed into ZnO upon annealing at 450 °C and 500 °C. The optical properties such as transmittance, absorbance, band gap and refractive index of the thin films have been investigated by using UV-Visible Spectroscopy (UV-Vis). The results show that the effect of aluminium dopant concentration on the optical properties is depend on the post-heat treatment of the films. By doping with Al, the transmittance spectra in visible range increased and widen the band gap of ZnO which might due to Burstein-moss effects.

A novel theoretical model for the temperature dependence of band gap energy in semiconductors

NASA Astrophysics Data System (ADS)

Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

2017-10-01

We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

Experimental visualization of covalent bonds and structural disorder in a gallium zinc oxynitride photocatalyst (Ga(1-x)Znx)(N(1-x)Ox): origin of visible light absorption.

PubMed

Yashima, Masatomo; Yamada, Hiroki; Maeda, Kazuhiko; Domen, Kazunari

2010-04-14

We present the experimental visualization of covalent bonding, positional disorders and split anion sites in visible-light responsive photocatalyst (Ga(0.885)Zn(0.115))(N(0.885)O(0.115)). ZnO alloying into GaN reduces the band gap, leading to the visible-light response. DFT calculations indicated no significant difference in band gap between structural models with and without split sites.

Highly textured and transparent RF sputtered Eu2O3 doped ZnO films

PubMed Central

Sreedharan, Remadevi Sreeja; Ganesan, Vedachalaiyer; Sudarsanakumar, Chellappan Pillai; Bhavsar, Kaushalkumar; Prabhu, Radhakrishna; Mahadevan Pillai, Vellara Pappukutty Pillai

2015-01-01

Background Zinc oxide (ZnO) is a wide, direct band gap II-VI oxide semiconductor. ZnO has large exciton binding energy at room temperature, and it is a good host material for obtaining visible and infrared emission of various rare-earth ions. Methods Europium oxide (Eu2O3) doped ZnO films are prepared on quartz substrate using radio frequency (RF) magnetron sputtering with doping concentrations 0, 0.5, 1, 3 and 5 wt%. The films are annealed in air at a temperature of 773 K for 2 hours. The annealed films are characterized using X-ray diffraction (XRD), micro-Raman spectroscopy, atomic force microscopy, ultraviolet (UV)-visible spectroscopy and photoluminescence (PL) spectroscopy. Results XRD patterns show that the films are highly c-axis oriented exhibiting hexagonalwurtzite structure of ZnO. Particle size calculations using Debye-Scherrer formula show that average crystalline size is in the range 15–22 nm showing the nanostructured nature of the films. The observation of low- and high-frequency E2 modes in the Raman spectra supports the hexagonal wurtzite structure of ZnO in the films. The surface morphology of the Eu2O3 doped films presents dense distribution of grains. The films show good transparency in the visible region. The band gaps of the films are evaluated using Tauc plot model. Optical constants such as refractive index, dielectric constant, loss factor, and so on are calculated using the transmittance data. The PL spectra show both UV and visible emissions. Conclusion Highly textured, transparent, luminescent Eu2O3 doped ZnO films have been synthesized using RF magnetron sputtering. The good optical and structural properties and intense luminescence in the ultraviolet and visible regions from the films suggest their suitability for optoelectronic applications. PMID:25765728

Zinc interstitial threshold in Al-doped ZnO film: Effect on microstructure and optoelectronic properties

NASA Astrophysics Data System (ADS)

Singh, Chetan C.; Panda, Emila

2018-04-01

In order to know the threshold quantity of the zinc interstitials that contributes to an increase in carrier concentration in the Al-doped ZnO (AZO) films and their effect on the overall microstructure and optoelectronic properties of these films, in this work, Zn-rich-AZO and ZnO thin films are fabricated by adding excess zinc (from a zinc metallic target) during their deposition in RF magnetron sputtering and are then investigated using a wide range of experimental techniques. All these films are found to grow in a ZnO hexagonal wurtzite crystal structure with strong (002) orientation of the crystallites, with no indication of Al2O3, metallic Zn, and Al. The excessively introduced zinc in these AZO and/or ZnO films is found to increase the shallow donor level defects (i.e., zinc interstitials and oxygen-related electronic defect states), which is found to significantly increase the carrier concentration in these films. Additionally, aluminum is seen to enhance the creation of these electronic defect states in these films, thereby contributing more to the overall carrier concentration of these films. However, carrier mobility is found to decrease when the carrier concentration values are higher than 4 × 1020 cm-3, because of the electron-electron scattering. Whereas the optical band gap of the ZnO films is found to increase with increasing carrier concentration because of the Burstein-Moss shift, these decrease for the AZO films due to the band gap narrowing effect caused by excess carrier concentration.

Structural, mechanical and optical investigations in the TeO2-rich part of the TeO2-GeO2-ZnO ternary glass system

NASA Astrophysics Data System (ADS)

Ghribi, N.; Dutreilh-Colas, M.; Duclère, J.-R.; Gouraud, F.; Chotard, T.; Karray, R.; Kabadou, A.; Thomas, P.

2015-02-01

Stable glasses are successfully synthesized in the TeO2-GeO2-ZnO system at 850 °C by the melt-quenching method and the glass forming domain is determined in the TeO2-rich part of the diagram. The thermal study, carried out using differential scanning calorimetry, reveals that the glass transition temperature, as well as the thermal stability, increases with the addition of ZnO or GeO2. Bulk glass samples are elaborated within two series of compositions, corresponding to fixed concentrations in GeO2 (respectively 5 or 10 mol. %), and to various contents in ZnO. Structural changes caused by the ZnO addition are discussed based on Raman spectroscopy data. A progressive but very moderate network depolymerization is shown with increasing amount of ZnO. However, two different regimes can be identified, depending on the ZnO content. It is believed that ZnO acts as a network modifier for compositions below 20 mol. %, and starts to participate as a glass network former over such concentration. It is well evidenced that GeO2 contributes to the increase in Young's modulus E, evaluated from ultrasonic echography measurements. In addition, this oxide favors the network reticulation detected by the decrease of the Poisson ratio and the increase of the fractal bond connectivity. However, the role of ZnO is more complicated and will be extensively discussed. The decrease in the atomic packing density Cg probably explains the global evolution of E as a function of ZnO content. The refractive indices and optical band gap energies are extracted from UV-Visible-NIR optical transmission data. For the studied glasses, it is found that the transmission threshold decreases with larger ZnO contents, reflecting the increase in the optical band gap value. Refractive index is finally seen to decrease as a function of both ZnO and GeO2 contents. Such variation is explained by the decrease of the molar electronic polarizability, and by the lower optical basicity values known for TeO3 entities in comparison to TeO4 units.

Influence of Fe doping on the structural, optical and acetone sensing properties of sprayed ZnO thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prajapati, C.S.; Kushwaha, Ajay; Sahay, P.P., E-mail: dr_ppsahay@rediffmail.com

2013-07-15

Graphical abstract: All the films are found to be polycrystalline ZnO possessing hexagonal wurtzite structure. The intensities of all the peaks are diminished strongly in the Fe-doped films, indicating their lower crystallinity as compared to the undoped ZnO film. The average crystallite size decreases from 35.21 nm (undoped sample) to 15.43 nm (1 at% Fe-doped sample). - Highlights: • Fe-doped ZnO films show smaller crystallinity with crystallite size: 15–26 nm. • Optical band gap in ZnO films decreases on Fe doping. • Fe-doped films exhibit the normal dispersion for the wavelength range 450–600 nm. • PL spectra of the Fe-dopedmore » films show quenching of the broad green-orange emission. • Acetone response of the Fe-doped films increases considerably at 300 °C. - Abstract: The ZnO thin films (undoped and Fe-doped) deposited by chemical spray pyrolysis technique have been analyzed by X-ray powder diffraction (XRD), atomic force microscopy (AFM) and scanning electron microscopy (SEM). Results show that all the films possess hexagonal wurtzite structure of zinc oxide having crystallite sizes in the range 15–36 nm. On 1 at% Fe doping, the surface roughness of the film increases which favors the adsorption of atmospheric oxygen on the film surface and thereby increase in the gas response. Optical studies reveal that the band gap decreases due to creation of some defect energy states below the conduction band edge, arising out of the lattice disorder in the doped films. The refractive index of the films decreases on Fe doping and follows the Cauchy relation of normal dispersion. Among all the films examined, the 1 at% Fe-doped film exhibits the maximum response (∼72%) at 300 °C for 100 ppm concentration of acetone in air.« less

Mg-doped ZnO nanoparticles for efficient sunlight-driven photocatalysis.

PubMed

Etacheri, Vinodkumar; Roshan, Roshith; Kumar, Vishwanathan

2012-05-01

Magnesium-doped ZnO (ZMO) nanoparticles were synthesized through an oxalate coprecipitation method. Crystallization of ZMO upon thermal decomposition of the oxalate precursors was investigated using differential scanning calorimetry (DSC) and X-ray diffraction (XRD) techniques. XRD studies point toward a significant c-axis compression and reduced crystallite sizes for ZMO samples in contrast to undoped ZnO, which was further confirmed by HRSEM studies. X-ray photoelectron spectroscopy (XPS), UV/vis spectroscopy and photoluminescence (PL) spectroscopy were employed to establish the electronic and optical properties of these nanoparticles. (XPS) studies confirmed the substitution of Zn(2+) by Mg(2+), crystallization of MgO secondary phase, and increased Zn-O bond strengths in Mg-doped ZnO samples. Textural properties of these ZMO samples obtained at various calcination temperatures were superior in comparison to the undoped ZnO. In addition to this, ZMO samples exhibited a blue-shift in the near band edge photoluminescence (PL) emission, decrease of PL intensities and superior sunlight-induced photocatalytic decomposition of methylene blue in contrast to undoped ZnO. The most active photocatalyst 0.1-MgZnO obtained after calcination at 600 °C showed a 2-fold increase in photocatalytic activity compared to the undoped ZnO. Band gap widening, superior textural properties and efficient electron-hole separation were identified as the factors responsible for the enhanced sunlight-driven photocatalytic activities of Mg-doped ZnO nanoparticles.

First-principles research on the optical and electrical properties and mechanisms of In-doped ZnO

NASA Astrophysics Data System (ADS)

Hou, Qingyu; Xi, Dongmin; Li, Wenling; Jia, Xiaofang; Xu, Zhenchao

2018-05-01

The absorption spectra and conductivity of In-doped ZnO still exhibit differences. To resolve this contradiction, the ZnO supercell models with different In doping amounts and the Zn0.9375In0.0625(Zni)0.0625O supercell model were both constructed. When the geometrical structure of all the models was optimized, the GGA + U and GGA used to calculate the energy. In the range of In doping used in this study, the formation energy of In-doped ZnO under Zn-rich conditions is lower than that under O-rich conditions, thereby implying a more stability of In-doped ZnO under Zn-rich than that under O-rich. With the increased In doping content, the volume and the formation energy of the doped system increase, the doped systems become unstable, and doping becomes difficult. Furthermore, the band gaps are narrowed, and the red shift of absorption spectrum is enhanced. In the In doping amount ranging within 0.01389-0.05556, the electron effective mass decreases first and subsequently increases, and the electron concentration increases. The mobility and conductivity also increase first and subsequently decrease. These results are in accordance with the experimental results. The volume of Zn0.9375In0.0625(Zni)0.0625O with the coexistence of In replacing Zn and interstitial Zn is large. The band gap is widened and the absorption spectrum is blue-shifted in the UV region.

Fabrication of wide-band-gap Mg{sub x}Zn{sub 1-x}O quasi-ternary alloys by molecular-beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanaka, Hiroshi; Fujita, Shigeo; Fujita, Shizuo

2005-05-09

A series of wurtzite MgZnO quasi-ternary alloys, which consist of wurtzite MgO/ZnO superlattices, were grown by molecular-beam epitaxy on sapphire substrates. By changing the thicknesses of ZnO layers and/or of MgO layers of the superlattice, the band-gap energy was artificially tuned from 3.30 to 4.65 eV. The highest band gap, consequently realized by the quasi-ternary alloy, was larger than that of the single MgZnO layer, we have ever reported, keeping the wurtzite structure. The band gap of quasi-ternary alloys was well analyzed by the Kronig-Penny model supposing the effective masses of wurtzite MgO as 0.30m{sub 0} and (1-2)m{sub 0} formore » electrons and holes, respectively.« less

Synthesis and characterization of ZnO thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anilkumar, T. S., E-mail: anil24march@gmail.com; Girija, M. L., E-mail: girija.ml.grt1@gmail.com; Venkatesh, J., E-mail: phph9502@yahoo.com

2016-05-06

Zinc oxide (ZnO) Thin films were deposited on glass substrate using Spin coating method. Zinc acetate dehydrate, Carbinol and Mono-ethanolamine were used as the precursor, solvent and stabilizer respectively to prepare ZnO Thin-films. The molar ratio of Monoethanolamine to Zinc acetate was maintained as approximately 1. The thickness of the films was determined by Interference technique. The optical properties of the films were studied by UV Vis-Spectrophotometer. From transmittance and absorbance curve, the energy band gap of ZnO is found out. Electrical Conductivity measurements of ZnO are carried out by two probe method and Activation energy for the electrical conductivitymore » of ZnO are found out. The crystal structure and orientation of the films were analyzed by XRD. The XRD patterns show that the ZnO films are polycrystalline with wurtzite hexagonal structure.« less

Optical properties of zinc lead tellurite glasses

NASA Astrophysics Data System (ADS)

Alazoumi, Salah Hassan; Aziz, Sidek Abdul; El-Mallawany, R.; Aliyu, Umar Sa'ad; Kamari, Halimah Mohamed; Zaid, Mohd Hafiz Mohd Mohd; Matori, Khamirul Amin; Ushah, Abdulbaset

2018-06-01

Tellurite glass systems in the form of [ZnO]x [(TeO2)0.7-(PbO)0.3]1-x with x = 0.15, 0.17, 0.20, 0.22 and 0.25 mol% were prepared using the melt quenching technique. XRD of the prepared samples have been measured for all samples. Both FTIR (280-4000 cm-1) and UV-Vis (200-800 nm) spectra have been measured. Optical band gap and refractive index were calculated for every glass sample. Density of glass, molar volume and oxygen packing density (OPD) were obtained. Values of the direct, indirect band gap ranged were found in the range 3.41-3.94 eV and 2.40-2.63 eV with increasing of ZnO concentration. Refractive index 2.58 and dielectric constant 6.66 were heigh at 17 ZnO mol% concentration. Molar polarizability, metallization criterion, polaron radius have been calculated for every glass composition.

Sonochemical synthesis and photocatalytic property of zinc oxide nanoparticles doped with magnesium(II)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Xianyong, E-mail: xylu@buaa.edu.cn; Liu, Zhaoyue; Zhu, Ying

2011-10-15

Highlights: {yields} Mg-doped ZnO nanoparticles were synthesized by sonochemical strategy. {yields} Mg-doped ZnO nanoparticles present good photocatalytic properties. {yields} The change of band gap contributes to their high efficiency in photocatalyst. -- Abstract: Mg-doped ZnO nanoparticles were successfully synthesized by sonochemical method. The products were characterized by scan electron microscopy (SEM) and X-ray powder diffraction (XRD). SEM images revealed that ZnO doped with Mg(II) nanoparticles and ZnO nanoparticles synthesized by the same strategy all had spherical topography. XRD patterns showed that the doped nanoparticles had the same crystals structures as the pure ZnO nanoparticles. The Mg-doped ZnO nanoparticles had largermore » lattice volume than the un-doped nanoparticles. X-ray photoelectron spectroscopy (XPS) not only demonstrated the moral ratio of Mg and Zn element on the surface of nanoparticles, but their valence in nanoparticles as well. The Mg-doped ZnO nanoparticles presented good properties in photocatalyst compared with pure ZnO nanoparticles.« less

The Synthesis of Photocatalyst Material ZnO using the Simple Sonication Method

NASA Astrophysics Data System (ADS)

Faradis, R.; Azizah, E. N.; Marella, S. D.; Aini, N.; Prasetyo, A.

2018-03-01

ZnO is well known as photocatalyst material therefore potentially to applied in many purposes. The particle size of photocatalyst material influenced the catalytic activities. In this research, ZnO was synthesized using the simple sonication method to obtain the the smaller particle with sonication time variation respectively: 30, 60, 160, 360 minute. X-ray diffraction data showed that the synthesized material have wurtzite structure with space group P63 mc. The synthesized ZnO with 30 minutes sonication time produced the smallest particle size and have the lowest band gap energy (2.79 eV). The photocatalytic test at methylene blue also showed that the optimum activity was gained from ZnO which synthesized at 30 minute sonication time (degradation percentage of metylene blue is 77.93%).

ZnO thin-film transistors with a polymeric gate insulator built on a polyethersulfone substrate

NASA Astrophysics Data System (ADS)

Hyung, Gun Woo; Park, Jaehoon; Koo, Ja Ryong; Choi, Kyung Min; Kwon, Sang Jik; Cho, Eou Sik; Kim, Yong Seog; Kim, Young Kwan

2012-03-01

Zinc oxide (ZnO) thin-film transistors (TFTs) with a cross-linked poly(vinyl alcohol) (c-PVA) insulator are fabricated on a polyethersulfone substrate. The ZnO film, formed by atomic layer deposition, shows a polycrystalline hexagonal structure with a band gap energy of about 3.37 eV. The fabricated ZnO TFT exhibits a field-effect mobility of 0.38 cm2/Vs and a threshold voltage of 0.2 V. The hysteresis of the device is mainly caused by trapped electrons at the c-PVA/ZnO interface, whereas the positive threshold voltage shift occurs as a consequence of constant positive gate bias stress after 5000 s due to an electron injection from the ZnO film into the c-PVA insulator.

Charge transfer and surface defect healing within ZnO nanoparticle decorated graphene hybrid materials

NASA Astrophysics Data System (ADS)

Pham, Chuyen V.; Repp, Sergej; Thomann, Ralf; Krueger, Michael; Weber, Stefan; Erdem, Emre

2016-05-01

To harness the unique properties of graphene and ZnO nanoparticles (NPs) for novel applications, the development of graphene-ZnO nanoparticle hybrid materials has attracted great attention and is the subject of ongoing research. For this contribution, graphene-oxide-ZnO (GO-ZnO) and thiol-functionalized reduced graphene oxide-ZnO (TrGO-ZnO) nanohybrid materials were prepared by novel self-assembly processes. Based on electron paramagnetic resonance (EPR) and photoluminescence (PL) investigations on bare ZnO NPs, GO-ZnO and TrGO-ZnO hybrid materials, we found that several physical phenomena were occurring when ZnO NPs were hybridized with GO and TrGO. The electrons trapped in Zn vacancy defects (VZn-) within the core of ZnO NPs vanished by transfer to GO and TrGO in the hybrid materials, thus leading to the disappearance of the core signals in the EPR spectra of ZnO NPs. The thiol groups of TrGO and sulfur can effectively ``heal'' the oxygen vacancy (VO+) related surface defects of ZnO NPs while oxygen-containing functionalities have low healing ability at a synthesis temperature of 100 °C. Photoexcited electron transfer from the conduction band of ZnO NPs to graphene leads to photoluminescence (PL) quenching of near band gap emission (NBE) of both GO-ZnO and TrGO-ZnO. Simultaneously, electron transfer from graphene to defect states of ZnO NPs is the origin of enhanced green defect emission from GO-ZnO. This observation is consistent with the energy level diagram model of hybrid materials.To harness the unique properties of graphene and ZnO nanoparticles (NPs) for novel applications, the development of graphene-ZnO nanoparticle hybrid materials has attracted great attention and is the subject of ongoing research. For this contribution, graphene-oxide-ZnO (GO-ZnO) and thiol-functionalized reduced graphene oxide-ZnO (TrGO-ZnO) nanohybrid materials were prepared by novel self-assembly processes. Based on electron paramagnetic resonance (EPR) and photoluminescence (PL) investigations on bare ZnO NPs, GO-ZnO and TrGO-ZnO hybrid materials, we found that several physical phenomena were occurring when ZnO NPs were hybridized with GO and TrGO. The electrons trapped in Zn vacancy defects (VZn-) within the core of ZnO NPs vanished by transfer to GO and TrGO in the hybrid materials, thus leading to the disappearance of the core signals in the EPR spectra of ZnO NPs. The thiol groups of TrGO and sulfur can effectively ``heal'' the oxygen vacancy (VO+) related surface defects of ZnO NPs while oxygen-containing functionalities have low healing ability at a synthesis temperature of 100 °C. Photoexcited electron transfer from the conduction band of ZnO NPs to graphene leads to photoluminescence (PL) quenching of near band gap emission (NBE) of both GO-ZnO and TrGO-ZnO. Simultaneously, electron transfer from graphene to defect states of ZnO NPs is the origin of enhanced green defect emission from GO-ZnO. This observation is consistent with the energy level diagram model of hybrid materials. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00393a

Single Step In Situ Synthesis and Optical Properties of Polyaniline/ZnO Nanocomposites

PubMed Central

Kaith, B. S.; Rajput, Jaspreet

2014-01-01

Polyaniline/ZnO nanocomposites were prepared by in situ oxidative polymerization of aniline monomer in the presence of different weight percentages of ZnO nanostructures. The steric stabilizer added to prevent the agglomeration of nanostructures in the polymer matrix was found to affect the final properties of the nanocomposite. ZnO nanostructures of various morphologies and sizes were prepared in the absence and presence of sodium lauryl sulphate (SLS) surfactant under different reaction conditions like in the presence of microwave radiation (microwave oven), under pressure (autoclave), under vacuum (vacuum oven), and at room temperature (ambient condition). The conductivity of these synthesized nanocomposites was evaluated using two-probe method and the effect of concentration of ZnO nanostructures on conductivity was observed. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and UV-visible (UV-VIS) spectroscopy techniques were used to characterize nanocomposites. The optical energy band gap of the nanocomposites was calculated from absorption spectra and ranged between 1.5 and 3.21 eV. The reported values depicted the blue shift in nanocomposites as compared to the band gap energies of synthesized ZnO nanostructures. The present work focuses on the one-step synthesis and potential use of PANI/ZnO nanocomposite in molecular electronics as well as in optical devices. PMID:24523653

Low Temperature Annealed Zinc Oxide Nanostructured Thin Film-Based Transducers: Characterization for Sensing Applications

PubMed Central

Haarindraprasad, R.; Hashim, U.; Gopinath, Subash C. B.; Kashif, Mohd; Veeradasan, P.; Balakrishnan, S. R.; Foo, K. L.; Poopalan, P.

2015-01-01

The performance of sensing surfaces highly relies on nanostructures to enhance their sensitivity and specificity. Herein, nanostructured zinc oxide (ZnO) thin films of various thicknesses were coated on glass and p-type silicon substrates using a sol-gel spin-coating technique. The deposited films were characterized for morphological, structural, and optoelectronic properties by high-resolution measurements. X-ray diffraction analyses revealed that the deposited films have a c-axis orientation and display peaks that refer to ZnO, which exhibits a hexagonal structure with a preferable plane orientation (002). The thicknesses of ZnO thin films prepared using 1, 3, 5, and 7 cycles were measured to be 40, 60, 100, and 200 nm, respectively. The increment in grain size of the thin film from 21 to 52 nm was noticed, when its thickness was increased from 40 to 200 nm, whereas the band gap value decreased from 3.282 to 3.268 eV. Band gap value of ZnO thin film with thickness of 200 nm at pH ranging from 2 to 10 reduces from 3.263eV to 3.200 eV. Furthermore, to evaluate the transducing capacity of the ZnO nanostructure, the refractive index, optoelectric constant, and bulk modulus were analyzed and correlated. The highest thickness (200 nm) of ZnO film, embedded with an interdigitated electrode that behaves as a pH-sensing electrode, could sense pH variations in the range of 2-10. It showed a highly sensitive response of 444 μAmM-1cm-2 with a linear regression of R2 =0.9304. The measured sensitivity of the developed device for pH per unit is 3.72μA/pH. PMID:26167853

Structural, electrical and optical properties of Al-Sn codoped ZnO transparent conducting layer deposited by spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Bedia, A.; Bedia, F. Z.; Aillerie, M.; Maloufi, N.

2017-11-01

Low cost Al-Sn codoped ZnO (ATZO) Transparent Conductive Oxide films were deposited by spray pyrolysis on glass substrate. The influence of Al-Sn codoping on the structural, optical and electrical properties of ZnO thin films was studied by comparing the same properties obtained in undoped ZnO, Al doped ZnO (AZO) and Sn doped ZnO (TZO) thin films. The so-obtained films crystallized in hexagonal wurtzite structure. The morphology and structural defects have been investigated by both High resolution Field Effect Scanning Electron Microscopy (FE-SEM) and Raman spectroscopy at 532 nm excitation source. In the visible region, the undoped and doped films show an average transmittance of the order of 85%, while for ATZO thin film, it is of the order of 72%, which points out a degradation of the optical properties due to the co-doping. The optical band gap of ATZO thin film achieves 3.31eV and this shift, compared to the referred samples is attributed to the Burstein-Moss (BM) and band gap narrowing (BGN) opposite effects which is due to the increase of the carrier concentration in degenerate semiconductors. Within all the samples, the ATZO thin film exhibits the lowest electrical resistivity of 4.56 × 10-3 Ωcm with a Hall mobility equal to 2.13 cm2 V-1s-1, and the highest carrier concentration of 6.41 × 1020 cm-3. The performance of ATZO transparent conductive oxide film are determined by its figure of merit (φTC), found equal to 1.69 10-4 Ω-1, which is a suitable value for potentially high-performance solar cell applications.

Surfactant-assisted growth and optical properties of ZnO hexagonal bilayer disk-like microstructures

NASA Astrophysics Data System (ADS)

Zhu, Q. P.; Shen, X. Y.; Wang, L. L.; Zhu, L. P.; Wang, L. J.; Liao, G. H.

2018-01-01

ZnO hexagonal bilayer disk-like microstructures are successfully fabricated using a simple solvothermal method assisted with surfactant. The structure and morphology were investigated by XRD, SEM, and EDS. XRD result indicated that the as-obtained samples were well-crystallized wurtzite hexagonal ZnO structure. SEM images showed that the ZnO hexagonal bilayer disk-like assembles consist of two uniform and smooth disks with an average edge length of 6 μm and thickness of ˜4 μm. UV-vis spectrum reveals that ZnO sampls show an appreciable red shift and the band gap energy of the obtained ZnO samples were about 3.15 eV. A very strong UV emission at the ultraviolet (UV) region was observed in the photoluminescence (PL) spectrum of the as-prepared ZnO samples tested at room-temperature. A possible growth process of the ZnO hexagonal bilayer disk-like microstructures was schematically illustrated.

Structural and optical properties of magnetron sputtered MgxZn1-xO thin films

NASA Astrophysics Data System (ADS)

Kumar, Sanjeev; Gupte, Vinay; Sreenivas, K.

2006-04-01

MgxZn1-xO (MZO) thin films prepared by an rf magnetron sputtering technique are reported. The films were grown at room temperature and at relatively low rf power of 50 W. MZO thin films were found to possess preferred c-axis orientation and exhibited hexagonal wurtzite structure of ZnO up to a Mg concentration of 42 mol%. A small variation in the c-axis lattice parameter of around 0.3% was observed with increasing Mg composition, showing the complete solubility of Mg in ZnO. The band gap of the MZO films in the wurtzite phase varied linearly with the Mg concentration and a maximum band gap ~4.19 eV was achieved at x = 0.42. The refractive indices of the MgO films were found to decrease with increasing Mg content. The observed optical dispersion data are in agreement with the single oscillator model. A photoluminescence study revealed a blue shift in the near band edge emission peak with increasing Mg content in the MZO films. The results show the potential of MZO films in various opto-electronic applications.

Physical study on Cobalt-Indium Co-doped ZnO nanofilms as hydrophobic surfaces

NASA Astrophysics Data System (ADS)

Mimouni, R.; Mahdhi, N.; Boubaker, K.; Madouri, A.; Amlouk, M.

2016-03-01

The present work reports some physical investigations on (Co,In) codoped zinc oxide nanofilms deposited on glass substrates at 460 °C by the spray pyrolysis technique. The effect of Co and In concentration on the structural, morphological, optical and surface wettability properties have been investigated using X-ray diffraction (XRD) patterns, Raman spectroscopy, SEM, optical measurement, photoluminescence spectroscopy as well as the measurement of hydrophobicity in terms of water contact angle. It is found that all films crystallized in würtzite ZnO phase, with a preferentially orientation towards (002) direction parallel to c-axis. The Raman spectra of the samples exhibit the presence of E2high characteristic mode of würtzite structure with high crystallinity as well as two dominant bands 1LO and 2LO. Also, no additional modes introduced by codopoing have been found. SEM micrographs show the uniform deposition of fine grains on surface films. Thicknesses of films are less than 100 nm. In addition, optical investigations indicate that the band gap narrowing of (Co,In) codoped ZnO thin films is due to the increase in the band tail width. Indeed, PL study indicates that (Co,In) codoped ZnO nanofilms exhibit a large decrease of the UV luminescence, which is assigned to the trapping of photo-generated electrons by both In3+ and Co2+ ions as well as an improvement of charge separation in the ZnO thin films. Finally, the (Co,In) codoping influences the surface wettability property and transform the ZnO character from hydrophilic (θ < 90°) for pure ZnO nanofilm to hydrophobic (θ > 90°) for (Co,In) codoped ZnO ones.

Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo

DOE PAGES

Santana Palacio, Juan A.; Krogel, Jaron T.; Kim, Jeongnim; ...

2015-04-28

We have applied the many-body ab-initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure, and the energetics of the oxygen vacancy, zinc interstitial and hydrogen impurities in ZnO. We show that DMC is an accurate and practical method that can be used to characterize multiple properties of materials that are challenging for density functional theory approximations. DMC agrees with experimental measurements to within 0.3 eV, including the band-gap of ZnO, the ionization potential of O and Zn, and the atomization energy of O2, ZnO dimer, and wurtzite ZnO. DMC predicts the oxygen vacancy asmore » a deep donor with a formation energy of 5.0(2) eV under O-rich conditions and thermodynamic transition levels located between 1.8 and 2.5 eV from the valence band maximum. Our DMC results indicate that the concentration of zinc interstitial and hydrogen impurities in ZnO should be low under n-type, and Zn- and H-rich conditions because these defects have formation energies above 1.4 eV under these conditions. Comparison of DMC and hybrid functionals shows that these DFT approximations can be parameterized to yield a general correct qualitative description of ZnO. However, the formation energy of defects in ZnO evaluated with DMC and hybrid functionals can differ by more than 0.5 eV.« less

Modification of opto-electronic properties of ZnO by incorporating metallic tin for buffer layer in thin film solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deepu, D. R.; Jubimol, J.; Kartha, C. Sudha

2015-06-24

In this report, the effect of incorporation of metallic tin (Sn) on opto-electronic properties of ZnO thin films is presented. ZnO thin films were deposited through ‘automated chemical spray pyrolysis’ (CSP) technique; later different quantities of ‘Sn’ were evaporated on it and subsequently annealed. Vacuum annealing showed a positive effect on crystallinity of films. Creation of sub band gap levels due to ‘Sn’ diffusion was evident from the absorption and PL spectra. The tin incorporated films showed good photo response in visible region. Tin incorporated ZnO thin films seem to satisfy the desirable criteria for buffer layer in thin filmmore » solar cells.« less

A facile method for synthesis of well-coated ZnO@graphene core/shell structure by self-assembly of amine-functionalized ZnO and graphene oxide

NASA Astrophysics Data System (ADS)

Zhang, Yunlong; Song, Lixin; Zhang, Yuzhi; Wang, Panpan; Liu, Yangqiao; Wu, Lingnan; Zhang, Tao

2016-06-01

The core/shell structure was formed by GO self-assembled with amine-functionalized commercial ZnO (CZO) and preparative hexagonal ZnO (HZO), respectively. Graphene-coated CZO and HZO were obtained after being reduced in Ar at 500 °C. The mechanism of the coating procedure was investigated by measuring their respective zeta potential values. Our characterizations demonstrate that graphene on HZO has better quality and fewer layers. An obvious band gap decrease of ZnO was observed for coating with graphene. Photoluminescence spectra of ZnO@graphene core/shell composites display the fluorescence quenching property, which indicates its good application prospect in optoelectronics, photocatalytic and other fields.

Veritable electronic characteristics in ZnO nanowire circuits uncovered by the four-terminal method at a low temperature

NASA Astrophysics Data System (ADS)

Li, Xin; Zhang, Qi

2017-04-01

Understanding the natural electrical properties in semiconductor channels and the carrier transport across the metal-semiconductor contact is essential to improve the performance of nanowire devices. This work presents the true electronic characteristics of ZnO nanowire devices measured by a four-electrode method at a low-temperature environment. The temperature rise leads to the decrease in near-band-gap emission, which is attributed to two non-radiative recombination processes. For ZnO circuits, thermionic emission carrier transport mechanism plays a dominant role at Ti-Au/ZnO interface and the transport mechanism in ZnO nanowires is governed by two competitive thermal activation conduction processes: optical or acoustic phonons assisting hopping.

Improving ultraviolet photodetection of ZnO nanorods by Cr doped ZnO encapsulation process

NASA Astrophysics Data System (ADS)

Safa, S.; Mokhtari, S.; Khayatian, A.; Azimirad, R.

2018-04-01

Encapsulated ZnO nanorods (NRs) with different Cr concentration (0-4.5 at.%) were prepared in two different steps. First, ZnO NRs were grown by hydrothermal method. Then, they were encapsulated by dip coating method. The prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, and ultraviolet (UV)-visible spectrophotometer analyses. XRD analysis proved that Cr incorporated into the ZnO structure successfully. Based on optical analysis, band gap changes in the range of 2.74-3.84 eV. Finally, UV responses of all samples were deeply investigated. It revealed 0.5 at.% Cr doped sample had the most photocurrent (0.75 mA) and photoresponsivity (0.8 A/W) of all which were about three times greater than photocurrent and photoresponsivity of the undoped sample.

Study of ZnO and Mg doped ZnO nanoparticles by sol-gel process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ansari, Mohd Meenhaz, E-mail: meenhazphysics@gmail.com; Arshad, Mohd; Tripathi, Pushpendra

Nano-crystalline undoped and Mg doped ZnO (Mg-ZnO) nanoparticles with compositional formula Mg{sub x}Zn{sub 1-x}O (x=0,1,3,5,7,10 and 12 %) were synthesized using sol-gel process. The XRD diffraction peaks match with the pattern of the standard hexagonal structure of ZnO that reveals the formation of hexagonal wurtzite structure in all samples. SEM images demonstrates clearly the formation of spherical ZnO nanoparticles, and change of the morphology of the nanoparticles with the concentration of the magnesium, which is in close agreement with that estimated by Scherer formula based on the XRD pattern. To investigate the doping effect on optical properties, the UV–VIS absorptionmore » spectra was obtained and the band gap of the samples calculated.« less

Nanostructured ZnO Films for Room Temperature Ammonia Sensing

NASA Astrophysics Data System (ADS)

Dhivya Ponnusamy; Sridharan Madanagurusamy

2014-09-01

Zinc oxide (ZnO) thin films have been deposited by a reactive dc magnetron sputtering technique onto a thoroughly cleaned glass substrate at room temperature. X-ray diffraction revealed that the deposited film was polycrystalline in nature. The field emission scanning electron micrograph (FE-SEM) showed the uniform formation of a rugby ball-shaped ZnO nanostructure. Energy dispersive x-ray analysis (EDX) confirmed that the film was stoichiometric and the direct band gap of the film, determined using UV-Vis spectroscopy, was 3.29 eV. The ZnO nanostructured film exhibited better sensing towards ammonia (NH3) at room temperature (˜30°C). The fabricated ZnO film based sensor was capable of detecting NH3 at as low as 5 ppm, and its parameters, such as response, selectivity, stability, and response/recovery time, were also investigated.

Annealing temperature and environment effects on ZnO nanocrystals embedded in SiO2: a photoluminescence and TEM study

PubMed Central

2013-01-01

We report on efficient ZnO nanocrystal (ZnO-NC) emission in the near-UV region. We show that luminescence from ZnO nanocrystals embedded in a SiO2 matrix can vary significantly as a function of the annealing temperature from 450°C to 700°C. We manage to correlate the emission of the ZnO nanocrystals embedded in SiO2 thin films with transmission electron microscopy images in order to optimize the fabrication process. Emission can be explained using two main contributions, near-band-edge emission (UV range) and defect-related emissions (visible). Both contributions over 500°C are found to be size dependent in intensity due to a decrease of the absorption cross section. For the smallest-size nanocrystals, UV emission can only be accounted for using a blueshifted UV contribution as compared to the ZnO band gap. In order to further optimize the emission properties, we have studied different annealing atmospheres under oxygen and under argon gas. We conclude that a softer annealing temperature at 450°C but with longer annealing time under oxygen is the most preferable scenario in order to improve near-UV emission of the ZnO nanocrystals embedded in an SiO2 matrix. PMID:24314071

Annealing temperature and environment effects on ZnO nanocrystals embedded in SiO2: a photoluminescence and TEM study.

PubMed

Pita, Kantisara; Baudin, Pierre; Vu, Quang Vinh; Aad, Roy; Couteau, Christophe; Lérondel, Gilles

2013-12-06

We report on efficient ZnO nanocrystal (ZnO-NC) emission in the near-UV region. We show that luminescence from ZnO nanocrystals embedded in a SiO2 matrix can vary significantly as a function of the annealing temperature from 450°C to 700°C. We manage to correlate the emission of the ZnO nanocrystals embedded in SiO2 thin films with transmission electron microscopy images in order to optimize the fabrication process. Emission can be explained using two main contributions, near-band-edge emission (UV range) and defect-related emissions (visible). Both contributions over 500°C are found to be size dependent in intensity due to a decrease of the absorption cross section. For the smallest-size nanocrystals, UV emission can only be accounted for using a blueshifted UV contribution as compared to the ZnO band gap. In order to further optimize the emission properties, we have studied different annealing atmospheres under oxygen and under argon gas. We conclude that a softer annealing temperature at 450°C but with longer annealing time under oxygen is the most preferable scenario in order to improve near-UV emission of the ZnO nanocrystals embedded in an SiO2 matrix.

Process Dependence of H Passivation and Doping in H-implanted ZnO

DTIC Science & Technology

2013-01-04

Columbus, OH 43210, USA 2 Semiconductor Research Center, Wright State University, Dayton, OH 45432, USA 3 Sensors Directorate, Air Force Research...electrical properties. (Some figures may appear in colour only in the online journal) 1. Introduction The wide band gap semiconductor ZnO (Eg ≈ 3.4 eV) is a...theoretical studies predicted that H is likely to passivate zinc vacancy (VZn) and substitutional lithium on zinc site (LiZn) defects by forming neutral XZn–H

Heterogeneous nucleation for synthesis of sub-20nm ZnO nanopods and their application to optical humidity sensing.

PubMed

Majithia, R; Ritter, S; Meissner, K E

2014-02-17

We present a novel method for colloidal synthesis of one-dimensional ZnO nanopods by heterogeneous nucleation on zero-dimensional ZnO nanoparticle 'seeds'. Ultra-small ZnO nanopods, multi-legged structures with sub-20 nm individual leg diameters, can be synthesized by hydrolysis of a Zn2+ precursor growth solution in presence of ∼4 nm ZnO seeds under hydrothermal conditions via microwave-assisted heating in as little as 20 min of reaction time. One-dimensional ZnO nanorods are initially generated in the reaction mixture by heterogeneous nucleation and growth along the [0001] direction of the ZnO crystal. Growth of one-dimensional nanorods subsequently yields to an 'attachment' and size-focusing phase where individual nanorods fuse together to form multi-legged nanopods having diameters ∼15 nm. ZnO nanopods exhibit broad orange-red defect-related photoluminescence in addition to a near-band edge emission at 373 nm when excited above the band-gap at 350 nm. The defect-related photoluminescence of the ZnO nanopods has been applied towards reversible optical humidity sensing at room temperature. The sensors demonstrated a linear response between 22% and 70% relative humidity with a 0.4% increase in optical intensity per % change in relative humidity. Due to their ultra-small dimensions, ZnO nanopods exhibit a large dynamic range and enhanced sensitivity to changes in ambient humidity, thus showcasing their ability as a platform for optical environmental sensing. Copyright © 2014 Elsevier B.V. All rights reserved.

Elaboration, structural and optical investigations of ZnO/epoxy nanocomposites

NASA Astrophysics Data System (ADS)

Moussa, S.; Namouchi, F.; Guermazi, H.

2015-07-01

Hybrid nanocomposites were elaborated by incorporating ZnO nanoparticles into a transparent epoxy polymer matrix, using the direct dispersion method. The effect of the nanoparticles on the structural and optical properties of the polymer matrix was investigated using Fourier transform infrared (FTIR), Raman and UV-Visible spectroscopies. Nanocomposites FTIR spectra showed a variation of band intensities attributed to nanoparticles agglomeration within the polymer. The UV-Visible measurements showed a redshift on the band gap energy of the nanocomposites differently from neat epoxy resin, caused by interactions between ZnO NPs and polymer chains. Raman spectra confirm these interactions and the formation of hydrogen bonds in the nanocomposites. The UV-Visible transmittance spectra revealed that addition of a very low concentration (0.2wt%) of ZnO nanoparticles to a transparent epoxy matrix would maintain high visible-light transparency. The decrease of transmittance with increasing ZnO percentage is due to light scattering which originates from the agglomeration of nanoparticles in the matrix, the mismatch between the refractive index of ZnO and that of the epoxy matrix, and the increase of the surface roughness of the nanocomposite with increasing ZnO addition. Moreover, the UV-vis absorption spectra revealed that adding more than 1wt% ZnO leads to the improvement of the UV shielding properties of the nanocomposites. These results prove that the elaborated ZnO/epoxy nanocomposites can be used as UV shielding materials.

Effect of aluminium doping on structural and optical properties of ZnO thin films by sol-gel method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vijayaprasath, G.; Murugan, R.; Ravi, G., E-mail: raviganesa@rediffmail.com, E-mail: gravicrc@gmail.com

2015-06-24

We systematically investigated the structural, morphological and optical properties of 0.05 mol % Al doped ZnO (Al:ZnO) thin films deposited on glass substrates by sol-gel spin coating method. The influences of Al doping in ZnO thin films are characterized by Powder X-ray diffraction study. ZnO and Al:ZnO thin films have showed hexagonal wurtzite structure without any secondary phase in c-axis (002) orientation. The SEM images also proved the hexagonal rod like morphologies for both films. All the films exhibited transmittance of 70-80% in the visible range up to 800 nm and cut-off wavelength observed at ∼390 nm corresponding to the fundamental absorption ofmore » ZnO. The band gap of the ZnO thin films slightly widened with the Al doping. The photoluminescence properties have been studied for Al: ZnO thin films and the results are presented in detail.« less

Deposition of undoped and Al doped ZnO thin films using RF magnetron sputtering and study of their structural, optical and electrical properties

NASA Astrophysics Data System (ADS)

Parvathy Venu, M.; Shrisha B., V.; Balakrishna, K. M.; Naik, K. Gopalakrishna

2017-05-01

Undoped ZnO and Al doped ZnO thin films were deposited on glass and p-Si(100) substrates by RF magnetron sputtering technique at room temperature using homemade targets. ZnO target containing 5 at% of Al2O3 as doping source was used for the growth of Al doped ZnO thin films. XRD revealed that the films have hexagonal wurtzite structure with high crystallinity. Morphology and chemical composition of the films have been indicated by FESEM and EDAX studies. A blue shift of the band gap energy and higher optical transmittance has been observed in the case of Al doped ZnO (ZnO:Al) thin films with respect to the ZnO thin films. The as deposited films on p-Si were used to fabricate n-ZnO/p-Si(100) and n-ZnO:Al/p-Si(100) heterojunction diodes and their room temperature current-voltage characteristics were studied.

Low-Temperature Synthesis of Vertically Align ZnO Layer on ITO Glass: The Role of Seed Layer and Hydrothermal Process

NASA Astrophysics Data System (ADS)

Sholehah, Amalia; Achmad, NurSumiati; Dimyati, Arbi; Dwiyanti, Yanyan; Partuti, Tri

2017-05-01

ZnO thin layer has a broad potential application in optoelectronic devices. In the present study, vertically align ZnO layers on ITO glass were synthesized using wet chemical method. The seed layers were prepared using electrodeposition method at 3°C. After that, the growing process was carried out using chemical bath deposition (CBD) at 90°C. To improve the structural property of the ZnO layers, hydrothermal technique was used subsequently. Results showed that seeding layer has a great influence on the physical properties of the ZnO layers. Moreover, hydrothermal process conducted after the ZnO growth can enhance the morphological property of the layers. From the experiments, it is found that the ZnO layers has diameter of ∼60 nm with increasing thickness from ∼0.8 to 1.2 μm and band-gap energies of ∼3.2 eV.

Synthesis and optical properties of Co2+-doped ZnO Network prepared by new precursors

NASA Astrophysics Data System (ADS)

Akhtari, Fereshteh; Zorriasatein, Suzan; Farahmandjou, Majid; Elahi, Seyed Mohammad

2018-06-01

Pure ZnO nanoparticles (NPs) and Co/ZnO alloy NPs were synthesized with different percentages of cobalt impurity (1%, 3%, 5%, and 25%) with new precursors through the coprecipitation method. The structural results of the XRD analysis indicated that the pure and impure samples have a wurtzite hexagonal structure such that with an elevation of Co impurity up to 1%, the size of the nanocrystals declines by up to 30 nm. Furthermore, the FESEM analysis results suggest the homogeneity of the NPs such that with increased cobalt impurity, its level declines. The TEM analysis results revealed that the NPs with 5% impurity have a mean size of 32 nm in spherical form. The FTIR optical analysis results suggest a very sharp absorption peak within the wavelength ranges of 434–448 cm‑1, belonging to the Zn-O vibration bond. In addition, the absorption peak developed at the wavelength of 3428 cm‑1 is related to the activation of the OH radicals, whose absorption value grows with the addition of an impurity, thereby, causing enhanced photocatalytic activity. The UV-DRS optical analysis indicated that the absorption wavelength grows with increased impurity, causing the development of redshift and a reduction of the energy band gap. In this regard, for the pure sample, the band gap value was 3.18 eV, while for the sample with 5% impurity, the band gap was obtained as 2.68 eV. The VSM magnetic analysis suggests ferromagnetic development in the impure sample, with a saturation magnetism of 16 memu g‑1 and a coercivity field of 342 G.

Electronic materials with a wide band gap: recent developments

PubMed Central

Klimm, Detlef

2014-01-01

The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap E g = 0.66 eV) after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (E g = 1.12 eV). This improved the signal-to-noise ratio for classical electronic applications. Both semiconductors have a tetrahedral coordination, and by isoelectronic alternative replacement of Ge or Si with carbon or various anions and cations, other semiconductors with wider E g were obtained. These are transparent to visible light and belong to the group of wide band gap semiconductors. Nowadays, some nitrides, especially GaN and AlN, are the most important materials for optical emission in the ultraviolet and blue regions. Oxide crystals, such as ZnO and β-Ga2O3, offer similarly good electronic properties but still suffer from significant difficulties in obtaining stable and technologically adequate p-type conductivity. PMID:25295170

Valency configuration of transition metal impurities in ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petit, Leon; Schulthess, Thomas C; Svane, Axel

2006-01-01

We use the self-interaction corrected local spin-density approximation to investigate the ground state valency configuration of transition metal (TM=Mn, Co) impurities in n- and p-type ZnO. We find that in pure Zn{sub 1-x}TM{sub x}O, the localized TM{sup 2+} configuration is energetically favored over the itinerant d-electron configuration of the local spin density (LSD) picture. Our calculations indicate furthermore that the (+/0) donor level is situated in the ZnO gap. Consequently, for n-type conditions, with the Fermi energy {epsilon}F close to the conduction band minimum, TM remains in the 2+ charge state, while for p-type conditions, with {epsilon}F close to themore » valence band maximum, the 3+ charge state is energetically preferred. In the latter scenario, modeled here by co-doping with N, the additional delocalized d-electron charge transfers into the entire states at the top of the valence band, and hole carriers will only exist, if the N concentration exceeds the TM impurity concentration.« less

Role of nickel doping on structural, optical, magnetic properties and antibacterial activity of ZnO nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vijayaprasath, G.; Murugan, R.; Palanisamy, S.

Highlights: • The XRD analyses revealed that the synthesizes nickel doped ZnO (Zn{sub 1−x}Ni{sub x}O, x = 0.0, 0.03, 0.06 and 0.09) nanostructures have hexagonal wurtzite structure. • The photoluminescence measurements revealed that the broad emission was composed of different bands due to zinc and oxygen vacancies. • X-ray photoelectron spectroscopy (XPS) confirmed the Ni incorporation in ZnO lattice as Ni{sup 2+} ions. • Room temperature ferromagnetism was observed due to the oxygen vacancies and zinc interstitials are the main reasons for ferromagnetism in Ni doped ZnO NPs. - Abstract: Zn{sub 1−x}Ni{sub x}O nanoparticles were synthesized by co-precipitation method. Themore » crystallite sizes of the synthesized samples found to decrease from 38 to 26 nm with increase in nickel concentration. FTIR spectra confirmed the presence of Zn−O stretching bands at 577, 573, 569 and 565 cm{sup −1} in the respective ZnO NPs. Optical absorption spectra revealed the red shifted and estimated band gap is found to decrease with increase of Ni doping concentration. The PL spectra of all the samples exhibited a broad emission at 390 nm in the visible range. The carriers (donors) bounded on the Ni sites were observed from the micro Raman spectroscopic studies. Pure and Ni doped ZnO NPs showed significant changes in the M–H loop, especially the diamagnetic behavior changed into ferromagnetic nature for Ni doped samples. The antiferromagnetic super-exchange interactions between Ni{sup 2+} ions is increased in higher Ni doped ZnO NPs and also their antibacterial activity has been studied.« less

Investigation and characterization of ZnO single crystal microtubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Naser, Qusay A.H.; Zhou, Jian, E-mail: jianzhou@whut.edu.cn; Liu, Guizhen

2016-04-15

Morphological, structural, and optical characterization of microwave synthesized ZnO single crystal microtubes were investigated in this work. The structure and morphology of the ZnO microtubes are characterized using X-ray diffraction (XRD), single crystal diffraction (SCD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDX), and transmission electron microscopy (TEM). The results reveal that the as-synthesized ZnO microtube has a highly regular hexagonal cross section and smooth surfaces with an average length of 650–700 μm, an average outer diameter of 50 μm and wall thickness of 1–3 μm, possessing a single crystal wurtzite hexagonal structure. Optical properties of ZnOmore » single crystal microtubes were investigated by photoluminescence (PL) and ultraviolet-visible (UV-vis) absorption techniques. Room-temperature PL spectrum of the microtube reveal a strong UV emission peak at around 375.89 nm and broad and a weak visible emission with a main peak identified at 577 nm, which was assigned to the nearest band-edge emission and the deep-level emission, respectively. The band gap energy of ZnO microtube was found to be 3.27 eV. - Highlights: • ZnO microtube length of 650–700 μm, diameter of 50 μm, wall thickness of 1–3 μm • ZnO microtube possesses a single crystal wurtzite hexagonal structure. • The crystal system is hexahedral oriented along a-axis with indices of (100). • A strong and sharp UV emission at 375.89 nm (3.29 eV) • One prominent absorption band around 378.88 nm (3.27 eV)« less

Band gap opening and optical absorption enhancement in graphene using ZnO nanocluster

NASA Astrophysics Data System (ADS)

Monshi, M. M.; Aghaei, S. M.; Calizo, I.

2018-05-01

Electronic, optical and transport properties of the graphene/ZnO heterostructure have been explored using first-principles density functional theory. The results show that Zn12O12 can open a band gap of 14.5 meV in graphene, increase its optical absorption by 1.67 times covering the visible spectrum which extends to the infra-red (IR) range, and exhibits a slight non-linear I-V characteristic depending on the applied bias. These findings envisage that a graphene/Zn12O12 heterostructure can be appropriate for energy harvesting, photodetection, and photochemical devices.

Microstructure, electronic structure and optical properties of combustion synthesized Co doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Srinatha, N.; Nair, K. G. M.; Angadi, Basavaraj

2015-10-01

We report on the microstructure, electronic structure and optical properties of nanocrystalline Zn1-xCoxO (x=0, 0.01, 0.03, 0.05 and 0.07) particles prepared by solution combustion technique using L-Valine as fuel. The detailed structural and micro-structural studies were carried out by XRD, HRTEM and TEM-SAED respectively, which confirms the formation of single phased, nano-sized particles. The electronic structure was determined through NEXAFS and atomic multiplet calculations/simulations performed for various symmetries and valence states of 'Co' to determine the valance state, symmetry and crystal field splitting. The correlations between the experimental NEXAFS spectra and atomic multiplet simulations, confirms that, 'Co' present is in the 2+ valence state and substituted at the 'Zn' site in tetrahedral symmetry with crystal field splitting, 10Dq =-0.6 eV. The optical properties and 'Co' induced defect formation of as-synthesized materials were examined by using diffuse reflectance and Photoluminescence spectroscopy, respectively. Red-shift of band gap energy (Eg) was observed in Zn1-xCoxO samples due to Co (0.58 Å) substitution at Zn (0.60 Å) site of the host ZnO. Also, in PL spectra, a prominent pre-edge peak corresponds to ultraviolet (UV) emission around 360-370 nm was observed with Co concentration along with near band edge emission (NBE) of the wide band gap ZnO and all samples show emission in the blue region.

Cu0-loaded SBA-15@ZnO with improved electrical properties and affinity towards hydrogen

NASA Astrophysics Data System (ADS)

Bouazizi, N.; Louhichi, S.; Ouargli, R.; Bargougui, R.; Vieillard, J.; Derf, F. Le; Azzouz, A.

2017-05-01

A core-shell material was prepared using SBA-15 crystallites as cores for the growth of a ZnO shell, followed by Cu0 dispersion. The resulting Cu/SBA-15@ZnO nanostructure displayed higher specific surface area (SSA) and higher number of smaller pores as compared to the starting materials. Dispersion of fine Cu0NPs induced a compaction of the host matrice and a marked decay of the hydrophilic character, explained in terms of the involvement of terminal hydroxyl groups in competitive sbnd HO:Cu interaction at the expense of H-bridges with water. Heating at 400-450 °C seems to trigger ZnO dehydroxylation with possible self-polycondensation and/or the formation of Si-O-Zn bridges. This is an additional explanation of the significant SSA increase and decrease in the average pore diameter. Both ZnO and Cu0NP incorporation induced shifts in the UV-vis absorption band towards higher wavelengths, indicating a decrease in the optical band gap energy and an improvement of the conductance properties. As compared to ZnO, Cu0NPs produced stronger improvement of the conductance, which was found to increase with higher frequencies. Cu/SBA-15@ZnO also displayed higher affinity towards hydrogen as compared to SBA-15@ZnO and SBA-15 at ambient conditions. These outstanding properties combined to an appreciable thermal stability are worth to be prone to deeper investigations, because they can open promising prospects for Cu/SBA-15@ZnO as sensor, electrode material, electrocatalyst and/or hydrogen capture matrice.

Charge transfer and surface defect healing within ZnO nanoparticle decorated graphene hybrid materials.

PubMed

Pham, Chuyen V; Repp, Sergej; Thomann, Ralf; Krueger, Michael; Weber, Stefan; Erdem, Emre

2016-05-05

To harness the unique properties of graphene and ZnO nanoparticles (NPs) for novel applications, the development of graphene-ZnO nanoparticle hybrid materials has attracted great attention and is the subject of ongoing research. For this contribution, graphene-oxide-ZnO (GO-ZnO) and thiol-functionalized reduced graphene oxide-ZnO (TrGO-ZnO) nanohybrid materials were prepared by novel self-assembly processes. Based on electron paramagnetic resonance (EPR) and photoluminescence (PL) investigations on bare ZnO NPs, GO-ZnO and TrGO-ZnO hybrid materials, we found that several physical phenomena were occurring when ZnO NPs were hybridized with GO and TrGO. The electrons trapped in Zn vacancy defects (VZn(-)) within the core of ZnO NPs vanished by transfer to GO and TrGO in the hybrid materials, thus leading to the disappearance of the core signals in the EPR spectra of ZnO NPs. The thiol groups of TrGO and sulfur can effectively "heal" the oxygen vacancy (VO(+)) related surface defects of ZnO NPs while oxygen-containing functionalities have low healing ability at a synthesis temperature of 100 °C. Photoexcited electron transfer from the conduction band of ZnO NPs to graphene leads to photoluminescence (PL) quenching of near band gap emission (NBE) of both GO-ZnO and TrGO-ZnO. Simultaneously, electron transfer from graphene to defect states of ZnO NPs is the origin of enhanced green defect emission from GO-ZnO. This observation is consistent with the energy level diagram model of hybrid materials.

Study on silver doped and undoped ZnO thin films working as capacitive sensor

NASA Astrophysics Data System (ADS)

Kiran, S.; Kumar, N. Santhosh; Kumar, S. K. Naveen

2013-06-01

Nanomaterials have been found to exhibit interesting properties like good conductivity, piezoelectricity, high band gap etc. among those metal oxide family, Zinc Oxide has become a material of interest among scientific community. In this paper, we present a method of fabricating capacitive sensors, in which Silver doped ZnO and pure ZnO nanoparticles act as active layer. For the synthesis of the nanoparticle, we followed biosynthesis method and wet chemical method for Ag and Ag doped ZnO nanoparticles respectively. Characterization has been done for both the particles. The XRD pattern taken for the Ag Doped ZnO nanoparticles confirmed the average size of the particles to be 15nm. AFM image of the sample is taken by doping on Silicon wafer. Also we have presented the results of CV characteristics and IV characteristics of the capacitive sensor.

Fabrication Methods and Luminescent Properties of ZnO Materials for Light-Emitting Diodes

PubMed Central

Lee, Ching-Ting

2010-01-01

Zinc oxide (ZnO) is a potential candidate material for optoelectronic applications, especially for blue to ultraviolet light emitting devices, due to its fundamental advantages, such as direct wide band gap of 3.37 eV, large exciton binding energy of 60 meV, and high optical gain of 320 cm−1 at room temperature. Its luminescent properties have been intensively investigated for samples, in the form of bulk, thin film, or nanostructure, prepared by various methods and doped with different impurities. In this paper, we first review briefly the recent progress in this field. Then a comprehensive summary of the research carried out in our laboratory on ZnO preparation and its luminescent properties, will be presented, in which the involved samples include ZnO films and nanorods prepared with different methods and doped with n-type or p-type impurities. The results of ZnO based LEDs will also be discussed.

Growth and characterization of highly conducting Al-doped ZnO (AZO) thin films for optoelectronic applications

NASA Astrophysics Data System (ADS)

Sardana, Sanjay K.; Singh, Anil; Srivastava, Sanjay K.; Pandya, Dinesh K.

2018-05-01

A comparative study of undoped ZnO and Al-doped ZnO (AZO) thin films deposited on glass substrate by spray pyrolysis has been carried out at various aqueous molar concentration of zinc acetate. The thin films deposited on glass shows the wurtzite phase of ZnO, confirmed by X-ray diffraction. The optical study shows the high transmittance over 80% in the visible regime. The band gap of AZO thin films shows a blue shift as compared to undoped ZnO, which has been attributed to Burstein-Moss shift. Heat treatment of these samples in vacuum showed the improved conductivity in compared to as-deposited thin films. The electric study shows the minimum resistivity of 8 x 10-3 Ω-cm and carrier concentration of 6.5 × 1019 /cm3 correspond to AZO thin films.

Significantly enhanced UV luminescence by plasmonic metal on ZnO nanorods patterned by screen-printing.

PubMed

Zhao, Jun; Cui, Shuyuan; Zhang, Xingang; Li, Wenqing

2018-08-31

A smart synthetic method is conceived to construct large batches of ZnO nanostructures to meet market demand for light-emitting diodes. Utilizing the localized surface plasmon resonance of metal nanoparticles (NPs) facilitates the recombination of electron-hole pairs and the release of photons. Compared to raw ZnO nanorods (NRs), ZnO NRs@HfO 2 @Al NPs show a ∼120× enhancement in ultraviolet (UV) photoluminescence (PL), while ZnO NRs@HfO 2 @Ag NPs show a six-fold enhancement. Because the surface plasmon energy of Al is nearer the ZnO band gap, the PL enhancement of ZnO NRs covered with Al is stronger than that of those covered with Ag. Based on this analysis, three-dimensional graphical ZnO NR arrays were manufactured by screen-printing, a mass production technique. After covering the arrays with layers of HfO 2 and Al NPs, the UV PL intensities of the corresponding substrates were increased by approximately 16×. This indicates the potential to mass-produce highly efficient optoelectronic devices.

Nanostructured GdxZn1-xO thin films by nebulizer spray pyrolysis technique: Role of doping concentration on the structural and optical properties

NASA Astrophysics Data System (ADS)

Mariappan, R.; Ponnuswamy, V.; Suresh, P.; Suresh, R.; Ragavendar, M.

2013-07-01

Nanostructured GdxZn1-xO thin films with different Gd concentration from 0% to 10% deposited at 400 °C using the NSP technique. The films were characterized by structural, surface and optical properties, respectively. X-ray diffraction analysis shows that the Gd doped ZnO films have lattice parameters a = 3.2497 Å and c = 5.2018 Å with hexagonal structure and preferential orientation along (0 0 2) plane. The estimated values compare well with the standard values. When film thickness increases from 222 to 240 nm a high visible region transmittance (>70%) is observed. The optical band gap energy, optical constants (n and k), complex dielectric constants (ɛr and ɛi) and optical conductivities (σr and σi) were calculated from optical transmittance data. The optical band gap energy is 3.2 eV for pure ZnO film and 3.6 eV for Gd0.1Zn0.9O film. The PL studies confirm the presence of a strong UV emission peak at 399 nm. Besides, the UV emission of ZnO films decreases with the increase of Gd doping concentration correspondingly the ultra-violet emission is replaced by blue and green emissions.

Layer specific optical band gap measurement at nanoscale in MoS{sub 2} and ReS{sub 2} van der Waals compounds by high resolution electron energy loss spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dileep, K., E-mail: dileep@jncasr.ac.in, E-mail: ranjan@jncasr.ac.in; Sahu, R.; Datta, R., E-mail: dileep@jncasr.ac.in, E-mail: ranjan@jncasr.ac.in

2016-03-21

Layer specific direct measurement of optical band gaps of two important van der Waals compounds, MoS{sub 2} and ReS{sub 2}, is performed at nanoscale by high resolution electron energy loss spectroscopy. For monolayer MoS{sub 2}, the twin excitons (1.8 and 1.95 eV) originating at the K point of the Brillouin zone are observed. An indirect band gap of 1.27 eV is obtained from the multilayer regions. Indirect to direct band gap crossover is observed which is consistent with the previously reported strong photoluminescence from the monolayer MoS{sub 2}. For ReS{sub 2}, the band gap is direct, and a value of 1.52 andmore » 1.42 eV is obtained for the monolayer and multilayer, respectively. The energy loss function is dominated by features due to high density of states at both the valence and conduction band edges, and the difference in analyzing band gap with respect to ZnO is highlighted. Crystalline 1T ReS{sub 2} forms two dimensional chains like superstructure due to the clustering between four Re atoms. The results demonstrate the power of HREELS technique as a nanoscale optical absorption spectroscopy tool.« less

Preparation and characterization of double layer thin films ZnO/ZnO:Ag for methylene blue photodegradation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wibowo, Singgih, E-mail: singgih@st.fisika.undip.ac.id; Sutanto, Heri, E-mail: herisutanto@undip.ac.id

2016-02-08

Double layer (DL) thin films of zinc oxide and silver-doped zinc oxide (ZnO/ZnO:Ag) were deposited on glass substrate by sol-gel spray coating technique. The prepared thin films were subjected for optical and photocatalytic studies. UV-visible transmission spectra shows that the subtitution of Ag in ZnO leads to band gap reduction. The influence of Ag doping on the photocatalytic activity of ZnO for the degradation of methylene blue dye was studied under solar radiation. The light absorption over an extended visible region by Ag ion doping in ZnO film contributed equally to improve the photocatalytic activity up to 98.29%.

Investigation on structural and optical properties of ZnO film prepared by simple wet chemical method

NASA Astrophysics Data System (ADS)

Sholehah, Amalia; Mulyadi, Rendi; Haryono, Didied; Muttakin, Imamul; Rusbana, Tb Bahtiar; Mardiyanto

2018-04-01

ZnO thin layer has a broad potential application in electronic and optoelectronic devices. In this study, vertically align ZnO layers were deposited on ITO glass using wet chemistry method. The seed layers were prepared using electrodeposition technique at 3°C. The growing process was carried out using chemical bath deposition at 90°C. To improve the structural properties, two different hydrothermal treatment variations were applied separately. From the experiment, it is shown that the hydrothermal process using N2 gas has given the best result, with average diameter, crystallite size, and band-gap energy of 68.83 nm; 56.37 nm; and 3.16 eV, respectively.

Mn-doping-induced photocatalytic activity enhancement of ZnO nanorods prepared on glass substrates

NASA Astrophysics Data System (ADS)

Putri, Nur Ajrina; Fauzia, Vivi; Iwan, S.; Roza, Liszulfah; Umar, Akrajas Ali; Budi, Setia

2018-05-01

Mn-doped ZnO nanorods were synthesized on glass substrates via a two-steps process of ultrasonic spray pyrolysis and hydrothermal methods with four different concentrations Mn-doping (0, 1, 3, and 7 mol%). Introduction of Mn into ZnO is known could enhance the photocatalytic activity owing to the increase in the defect sites that effectively suppress the recombination of free electrons and holes. In this study, results show that Mn-doping has effectively modified the nucleations and crystal growth of ZnO, as evidenced by the increasing in the diameter, height, and the number of nanorods per unit area, besides slightly reduced the band gap and increased the oxygen vacancy concentrations in the ZnO lattice. This condition has successfully multiplied the photocatalytic performance of the ZnO nanorods in the degradation of methylene blue (MB) compared to the undoped-ZnO sample where in the typical process the MB can be degraded approximately 77% within only 35 min under a UV light irradiation.

Zinc oxide nanocolloids prepared by picosecond pulsed laser ablation in water at different temperatures

NASA Astrophysics Data System (ADS)

D'Urso, Luisa; Spadaro, Salvatore; Bonsignore, Martina; Santangelo, Saveria; Compagnini, Giuseppe; Neri, Fortunato; Fazio, Enza

2018-01-01

Zinc oxide with wide direct band gap and high exciton binding energy is one of the most promising materials for ultraviolet (UV) light-emitting devices. It further exhibits good performance in the degradation of non-biodegradable pollutants under UV irradiation. In this work, zinc oxide (ZnO) and zinc oxide/gold (ZnO/Au) nanocolloids are prepared by picosecond pulsed laser ablation (ps-PLA), using a Zn and Au metallic targets in water media at room temperature (RT) and 80°C. ZnO and Au nanoparticles (NPs) with size in the 10-50 nm range are obtained at RT, while ZnO nanorods (NRs) are formed when water is maintained at 80°C during the ps-PLA process. Au NPs, added to ZnO colloids after the ablation process, decorate ZnO NRs. The crystalline phase of all ZnO nanocolloids is wurtzite. Methylene blue dye is used to investigate the photo-catalytic activity of all the synthesised nanocolloids, under UV light irradiation.

Characterization of ZnO nanoparticles grown in presence of Folic acid template

PubMed Central

2012-01-01

Background ZnO nanoparticles (grown in the template of folic acid) are biologically useful, luminescent material. It can be used for multifunctional purposes, e.g., as biosensor, bioimaging, targeted drug delivery and as growth promoting medicine. Methods Sol–gel chemical method was used to develop the uniform ZnO nanoparticles, in a folic acid template at room temperature and pH ~ 7.5. Agglomeration of the particles was prevented due to surface charge density of folic acid in the medium. ZnO nanoparticle was further characterized by different physical methods. Results Nanocrystalline, wurtzite ZnO particles thus prepared show interesting structural as well as band gap properties due to capping with folic acid. Conclusions A rapid, easy and chemical preparative method for the growth of ZnO nanoparticles with important surface physical properties is discussed. Emphatically, after capping with folic acid, its photoluminescence properties are in the visible region. Therefore, the same can be used for monitoring local environmental properties of biosystems. PMID:22788841

Effect of copper doping on the photocatalytic activity of ZnO thin films prepared by sol-gel method

NASA Astrophysics Data System (ADS)

Saidani, T.; Zaabat, M.; Aida, M. S.; Boudine, B.

2015-12-01

In the present work, we prepared undoped and copper doped ZnO thin films by the sol-gel dip coating method on glass substrates from zinc acetate dissolved in a solution of ethanol. The objective of our work is to study the effect of Cu doping with different concentrations on structural, morphological, optical properties and photocatalytic activity of ZnO thin films. For this purpose, we have used XRD to study the structural properties, and AFM to determine the morphology of the surface of the ZnO thin films. The optical properties and the photocatalytic degradation of the films were examined by UV-visibles spectrophotometer. The Tauc method was used to estimate the optical band gap. The XRD spectra indicated that the films have an hexagonal wurtzite structure, which gradually deteriorated with increasing Cu concentration. The results showed that the incorporation of Cu decreases the crystallite size. The AFM study showed that an increase of the concentration of Cu causes the decrease of the surface roughness, which passes from 20.2 for Un-doped ZnO to 12.16 nm for doped ZnO 5 wt% Cu. Optical measurements have shown that all the deposited films show good optical transmittance (77%-92%) in the visible region and increases the optical gap with increasing Cu concentration. The presence of copper from 1% to 5 wt% in the ZnO thin films is found to decelerate the photocatalytic process.

Three-dimensional mesoscale heterostructures of ZnO nanowire arrays epitaxially grown on CuGaO2 nanoplates as individual diodes.

PubMed

Forticaux, Audrey; Hacialioglu, Salih; DeGrave, John P; Dziedzic, Rafal; Jin, Song

2013-09-24

We report a three-dimensional (3D) mesoscale heterostructure composed of one-dimensional (1D) nanowire (NW) arrays epitaxially grown on two-dimensional (2D) nanoplates. Specifically, three facile syntheses are developed to assemble vertical ZnO NWs on CuGaO2 (CGO) nanoplates in mild aqueous solution conditions. The key to the successful 3D mesoscale integration is the preferential nucleation and heteroepitaxial growth of ZnO NWs on the CGO nanoplates. Using transmission electron microscopy, heteroepitaxy was found between the basal planes of CGO nanoplates and ZnO NWs, which are their respective (001) crystallographic planes, by the observation of a hexagonal Moiré fringes pattern resulting from the slight mismatch between the c planes of ZnO and CGO. Careful analysis shows that this pattern can be described by a hexagonal supercell with a lattice parameter of almost exactly 11 and 12 times the a lattice constants for ZnO and CGO, respectively. The electrical properties of the individual CGO-ZnO mesoscale heterostructures were measured using a current-sensing atomic force microscopy setup to confirm the rectifying p-n diode behavior expected from the band alignment of p-type CGO and n-type ZnO wide band gap semiconductors. These 3D mesoscale heterostructures represent a new motif in nanoassembly for the integration of nanomaterials into functional devices with potential applications in electronics, photonics, and energy.

First-principles characterization of native-defect-related optical transitions in ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyons, J. L.; Varley, J. B.; Steiauf, D.

We investigate the electrical and optical properties of oxygen vacancies (VO), zinc vacancies (V Zn), hydrogenated V Zn, and isolated dangling bonds in ZnO using hybrid functional calculations. While the formation energy of V O is high in n-type ZnO, indicating that this center is unlikely to form, our results for optical absorption signals associated with V O are consistent with those observed in irradiated samples, and give rise to emission with a peak at less than 1 eV. Under realistic growth conditions, we find that VZn is the lowest-energy native defect in n-type ZnO, acting as an acceptor thatmore » is likely to compensate donor doping. Turning to optical transitions, we first examine N O as a case study, since N-related transitions have been identified in experiments on ZnO. Here, we also examine how hydrogen, often unintentionally present in ZnO, forms stable complexes with V Zn and modifies its optical properties. Compared with isolated V Zn, V Zn-H complexes have charge-state transition levels lower in the band gap as well as have lower formation energies. These complexes also lead to characteristic vibrational frequencies which compare favorably with experiment. Oxygen dangling bonds show behavior mostly consistent with V Zn, while zinc dangling bonds give rise to transition levels near the ZnO conduction-band minimum and emission peaking near 2.4 eV. Lastly, we discuss our results in view of the available experimental literature.« less

First-principles characterization of native-defect-related optical transitions in ZnO

DOE PAGES

Lyons, J. L.; Varley, J. B.; Steiauf, D.; ...

2017-07-21

We investigate the electrical and optical properties of oxygen vacancies (VO), zinc vacancies (V Zn), hydrogenated V Zn, and isolated dangling bonds in ZnO using hybrid functional calculations. While the formation energy of V O is high in n-type ZnO, indicating that this center is unlikely to form, our results for optical absorption signals associated with V O are consistent with those observed in irradiated samples, and give rise to emission with a peak at less than 1 eV. Under realistic growth conditions, we find that VZn is the lowest-energy native defect in n-type ZnO, acting as an acceptor thatmore » is likely to compensate donor doping. Turning to optical transitions, we first examine N O as a case study, since N-related transitions have been identified in experiments on ZnO. Here, we also examine how hydrogen, often unintentionally present in ZnO, forms stable complexes with V Zn and modifies its optical properties. Compared with isolated V Zn, V Zn-H complexes have charge-state transition levels lower in the band gap as well as have lower formation energies. These complexes also lead to characteristic vibrational frequencies which compare favorably with experiment. Oxygen dangling bonds show behavior mostly consistent with V Zn, while zinc dangling bonds give rise to transition levels near the ZnO conduction-band minimum and emission peaking near 2.4 eV. Lastly, we discuss our results in view of the available experimental literature.« less

Tuning the emission of ZnO nanorods based light emitting diodes using Ag doping

NASA Astrophysics Data System (ADS)

Echresh, Ahmad; Chey, Chan Oeurn; Shoushtari, Morteza Zargar; Nur, Omer; Willander, Magnus

2014-11-01

We have fabricated, characterized, and compared ZnO nanorods/p-GaN and n-Zn0.94Ag0.06O nanorods/p-GaN light emitting diodes (LEDs). Current-voltage measurement showed an obvious rectifying behaviour of both LEDs. A reduction of the optical band gap of the Zn0.94Ag0.06O nanorods compared to pure ZnO nanorods was observed. This reduction leads to decrease the valence band offset at n-Zn0.94Ag0.06O nanorods/p-GaN interface compared to n-ZnO nanorods/p-GaN heterojunction. Consequently, this reduction leads to increase the hole injection from the GaN to the ZnO. From electroluminescence measurement, white light was observed for the n-Zn0.94Ag0.06O nanorods/p-GaN heterojunction LEDs under forward bias, while for the reverse bias, blue light was observed. While for the n-ZnO nanorods/p-GaN blue light dominated the emission in both forward and reverse biases. Further, the LEDs exhibited a high sensitivity in responding to UV illumination. The results presented here indicate that doping ZnO nanorods might pave the way to tune the light emission from n-ZnO/p-GaN LEDs.

On the origin of blue emission from ZnO quantum dots synthesized by a sol-gel route

NASA Astrophysics Data System (ADS)

Han, Li-Li; Cui, Lan; Wang, Wei-Hua; Wang, Jiang-Long; Du, Xi-Wen

2012-06-01

ZnO quantum dots (QDs) with blue emission were synthesized by a sol-gel method. A series of control experiments were conducted to explore the origin of the blue emission. It is found that the blue emission arises from neither the quantum confinement nor intermediate products, and it can be achieved only in the presence of Li+ cations and excessive OH- anions. Moreover, the long decay time of the blue emission suggests a defect-related de-excitation process. On the basis of the experimental and calculation results, possible de-excitation paths for light emission were discussed, and the origin of the blue emission was determined as the electron transition from the conduction band to interstitial oxygen defects. Excessive OH- anions are responsible for the formation of interstitial oxygen defects, and Li+ ions can stabilize the defects by substituting for Zn atoms. Besides, Li+ ions can block the growth of ZnO QDs, broaden their band gap and cause a blue shift of the blue emission.

Investigation of Optical Cavity Modes and Ultrafast Carrier Dynamics in Zinc Oxide Rods Using Second-Harmonic Generation and Transient Absorption Pump-Probe Microscopy

NASA Astrophysics Data System (ADS)

Mehl, Brian Peter

The polydispersity intrinsic to nanoscale and microscale semiconductor materials poses a major challenge to using individual objects as building blocks for device applications. The ability to manipulate the shape of ZnO structures is enormous, making it an ideal material for studying shape-dependent phenomena. We have built a nonlinear microscope used to directly image optical cavity modes in ZnO rods using second-harmonic generation. Images of second-harmonic generation in needle-shaped ZnO rods obtained from individual structures show areas of enhanced second-harmonic intensity along the longitudinal axis of the rod that are periodically distributed and symmetrically situated relative to the rod midpoint. The spatial modulation is a direct consequence of the fundamental optical field coupling into standing wave resonator modes of the ZnO structure, leading to an enhanced backscattered second-harmonic condition that cannot be achieved in bulk ZnO. A more complicated second-harmonic image is observed when excitation is below the band gap, which is attributed to whispering gallery modes. Additionally, the nonlinear microscope was combined with transient absorption pump-probe to follow the electron-hole recombination dynamics at different points within individual needle-shaped ZnO rods to characterize spatial differences in dynamical behavior. The results from pump-probe experiments are correlated with spatially resolved ultrafast emission measurements, and scanning electron microscopy provides structural details. Dramatically different electron-hole recombination dynamics are observed in the narrow tips compared to the interior, with the ends exhibiting a greater propensity for electron-hole plasma formation and faster recombination of carriers across the band gap that stem from a physical confinement of the charge carriers. In the interior of the rod, a greater fraction of the electron-hole recombination is trap-mediated and occurs on a significantly longer time scale.

Down-top nanofabrication of binary (CdO)x (ZnO)1-x nanoparticles and their antibacterial activity.

PubMed

Al-Hada, Naif Mohammed; Mohamed Kamari, Halimah; Abdullah, Che Azurahanim Che; Saion, Elias; Shaari, Abdul H; Talib, Zainal Abidin; Matori, Khamirul Amin

2017-01-01

In the present study, binary oxide (cadmium oxide [CdO]) x (zinc oxide [ZnO]) 1-x nanoparticles (NPs) at different concentrations of precursor in calcination temperature were prepared using thermal treatment technique. Cadmium and zinc nitrates (source of cadmium and zinc) with polyvinylpyrrolidone (capping agent) have been used to prepare (CdO) x (ZnO) 1-x NPs samples. The sample was characterized by X-ray diffraction (XRD), scanning electron microscopy, energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. XRD patterns analysis revealed that NPs were formed after calcination, which showed a cubic and hexagonal crystalline structure of (CdO) x (ZnO) 1-x NPs. The phase analysis using EDX spectroscopy and FTIR spectroscopy confirmed the presence of Cd and Zn as the original compounds of prepared (CdO) x (ZnO) 1-x NP samples. The average particle size of the samples increased from 14 to 33 nm as the concentration of precursor increased from x=0.20 to x=0.80, as observed by TEM results. The surface composition and valance state of the prepared product NPs were determined by X-ray photoelectron spectroscopy (XPS) analyses. Diffuse UV-visible reflectance spectra were used to determine the optical band gap through the Kubelka-Munk equation; the energy band gap was found to decrease for CdO from 2.92 to 2.82 eV and for ZnO from 3.22 to 3.11 eV with increasing x value. Additionally, photoluminescence (PL) spectra revealed that the intensity in PL increased with an increase in particle size. In addition, the antibacterial activity of binary oxide NP was carried out in vitro against Escherichia coli ATCC 25922 Gram (-ve), Salmonella choleraesuis ATCC 10708, and Bacillus subtilis UPMC 1175 Gram (+ve). This study indicated that the zone of inhibition of 21 mm has good antibacterial activity toward the Gram-positive B. subtilis UPMC 1175.

Synthesis and Characterization of Molybdenum Doped ZnO Thin Films by SILAR Deposition Method

NASA Astrophysics Data System (ADS)

Radha, R.; Sakthivelu, A.; Pradhabhan, D.

2016-08-01

Molybdenum (Mo) doped zinc oxide (ZnO) thin films were deposited on the glass substrate by Successive Ionic Layer Adsorption and Reaction (SILAR) deposition method. The effect of Mo dopant concentration of 5, 6.6 and 10 mol% on the structural, morphological, optical and electrical properties of n-type Mo doped ZnO films was studied. The X-ray diffraction (XRD) results confirmed that the Mo doped ZnO thin films were polycrystalline with wurtzite structure. The field emission scanning electron microscopy (FESEM) studies shows that the surface morphology of the films changes with Mo doping. A blue shift of the optical band gap was observed in the optical studies. Effect of Mo dopant concentration on electrical conductivity was studied and it shows comparatively high electrical conductivity at 10 mol% of Mo doping concentration.

Cd-doped ZnO nano crystalline thin films prepared at 723K by spray pyrolysis

NASA Astrophysics Data System (ADS)

Joishy, Sumanth; Rajendra B., V.

2018-04-01

Ternary Zn1-xCdxO(x=0.10, 0.40, 0.70 at.%) thin films of 0.025M precursor concentration have been successfully deposited on preheated (723K) glass substrates using spray pyrolysis route. The structure, morphology and optical properties of deposited films have been characterized by X-ray diffraction, Scanning Electron Microscopy (SEM) and UV-Visible spectrophotometry. X-ray diffraction study shows that the prepared films are polycrystalline in nature. 10% Cd doped ZnO film belongs to the hexagonal wurtzite system and 70% Cd doped ZnO film belongs to the cubic system, although mixed phases were formed for 40% Cd doped ZnO film. The optical transmittance spectra has shown red shift with increasing cadmium content. Optical energy band gap has been reduced with cadmium dopant.

Development of nanostructured ZnO thin film via electrohydrodynamic atomization technique and its photoconductivity characteristics.

PubMed

Duraisamy, Navaneethan; Kwon, Ki Rin; Jo, Jeongdai; Choi, Kyung-Hyun

2014-08-01

This article presents the non-vacuum technique for the preparation of nanostructured zinc oxide (ZnO) thin film on glass substrate through electrohydrodynamic atomization (EHDA) technique. The detailed process parameters for achieving homogeneous ZnO thin films are clearly discussed. The crystallinity and surface morphology of ZnO thin film are investigated by X-ray diffraction and field emission scanning electron microscopy. The result shows that the deposited ZnO thin film is oriented in the wurtzite phase with void free surface morphology. The surface roughness of deposited ZnO thin film is found to be ~17.8 nm. The optical properties of nanostructured ZnO thin films show the average transmittance is about 90% in the visible region and the energy band gap is found to be 3.17 eV. The surface chemistry and purity of deposited ZnO thin films are analyzed by fourier transform infrared and X-ray photoelectron spectroscopy, conforming the presence of Zn-O in the deposited thin films without any organic moiety. The photocurrent measurement of nanostructured ZnO thin film is examined in the presence of UV light illumination with wavelength of 365 nm. These results suggest that the deposited nanostructured ZnO thin film through EHDA technique possess promising applications in the near future.

REVIEW ARTICLE: Structure, microstructure and physical properties of ZnO based materials in various forms: bulk, thin film and nano

NASA Astrophysics Data System (ADS)

Singh, Shubra; Thiyagarajan, P.; Mohan Kant, K.; Anita, D.; Thirupathiah, S.; Rama, N.; Tiwari, Brajesh; Kottaisamy, M.; Ramachandra Rao, M. S.

2007-10-01

ZnO is a unique material that offers about a dozen different application possibilities. In spite of the fact that the ZnO lattice is amenable to metal ion doping (3d and 4f), the physics of doping in ZnO is not completely understood. This paper presents a review of previous research works on ZnO and also highlights results of our research activities on ZnO. The review pertains to the work on Al and Mg doping for conductivity and band gap tuning in ZnO followed by a report on transition metal (TM) ion doped ZnO. This review also highlights the work on the transport and optical studies of TM ion doped ZnO, nanostructured growth (ZnO polycrystalline and thin films) by different methods and the formation of unique nano- and microstructures obtained by pulsed laser deposition and chemical methods. This is followed by results on ZnO encapsulated Fe3O4 nanoparticles that show promising trends suitable for various applications. We have also reviewed the non-linear characteristic studies of ZnO based heterostructures followed by an analysis on the work carried out on ZnO based phosphors, which include mainly the nanocrystalline ZnO encapsulated SiO2, a new class of phosphor that is suitable for white light emission.

Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides.

PubMed

Viñes, Francesc; Lamiel-García, Oriol; Chul Ko, Kyoung; Yong Lee, Jin; Illas, Francesc

2017-04-30

The effect of the amount of Hartree-Fock mixing parameter (α) and of the screening parameter (w) defining the range separated HSE type hybrid functional is systematically studied for a series of seven metal oxides: TiO 2 , ZrO 2 , CuO 2 , ZnO, MgO, SnO 2 , and SrTiO 3 . First, reliable band gap values were determined by comparing the optimal α reproducing the experiment with the inverse of the experimental dielectric constant. Then, the effect of the w in the HSE functional on the calculated band gap was explored in detail. Results evidence the existence of a virtually infinite number of combinations of the two parameters which are able to reproduce the experimental band gap, without a unique pair able to describe the full studied set of materials. Nevertheless, the results point out the possibility of describing the electronic structure of these materials through a functional including a screened HF exchange and an appropriate correlation contribution. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Ternary Oxides in the TiO2-ZnO System as Efficient Electron-Transport Layers for Perovskite Solar Cells with Efficiency over 15.

PubMed

Yin, Xiong; Xu, Zhongzhong; Guo, Yanjun; Xu, Peng; He, Meng

2016-11-02

Perovskite solar cells, which utilize organometal-halide perovskites as light-harvesting materials, have attracted great attention due to their high power conversion efficiency (PCE) and potentially low cost in fabrication. A compact layer of TiO 2 or ZnO is generally applied as electron-transport layer (ETL) in a typical perovskite solar cell. In this study, we explored ternary oxides in the TiO 2 -ZnO system to find new materials for the ETL. Compact layers of titanium zinc oxides were readily prepared on the conducting substrate via spray pyrolysis method. The optical band gap, valence band maximum and conduction band minimum of the ternary oxides varied significantly with the ratio of Ti to Zn, surprisingly, in a nonmonotonic way. When a zinc-rich ternary oxide was applied as ETL for the device, a PCE of 15.10% was achieved, comparable to that of the device using conventional TiO 2 ETL. Interestingly, the perovskite layer deposited on the zinc-rich ternary oxide is stable, in sharp contrast with that fabricated on a ZnO layer, which will turn into PbI 2 readily when heated. These results indicate that potentially new materials with better performance can be found for ETL of perovskite solar cells in ternary oxides, which deserve more exploration.

Effects of (Ce, Cu) Co-doping on the Structural and Optical Properties of ZnO Aerogels Synthesized in Supercritical Ethanol

NASA Astrophysics Data System (ADS)

Djouadi, D.; Slimi, O.; Hammiche, L.; Chelouche, A.; Touam, T.

2018-03-01

Undoped, Ce-doped, Cu-doped and (Ce,Cu ) co-doped ZnO aerogels were synthesized by sol-gel process in supercritical conditions of ethanol. [Cu]/[Zn] and [Ce]/[Zn] atomic ratios were fixed at 0.02 (2%). The aerogels were investigated without any additional treatments by using X-ray diffraction (XRD), UV–visible spectrophotometry, scanning electron microscopy (SEM), Energy-dispersive X-ray spectroscopy (EDS), Fourier transforms infrared spectroscopy (FTIR) and photoluminescence spectroscopy (PL). XRD results revealed that all the samples are well crystallized in hexagonal wurtzite structure. EDS measurements showed that highly pure aerogels are prepared. SEM analysis indicated that the morphology of the samples is dependent on Cu and Ce dopants. From UV-visible spectroscopy analyses, it was shown that the absorption and the band gap of the aerogels are strongly affected by Ce and Cu dopants. FTIR spectra demonstrated that co-doping induces a shift of Zn-O bond vibration band toward low wavenumbers. The room temperature photoluminescence spectra put into evidence that the visible emission intensity is influenced by Ce and Cu doping. In particular, the co-doping leads to the appearance of a blue emission band at 443 nm.

Comparative study of Ni and Cu doped ZnO nanoparticles: Structural and optical properties

NASA Astrophysics Data System (ADS)

Thakur, Shaveta; Thakur, Samita; Sharma, Jyoti; Kumar, Sanjay

2018-05-01

Nanoparticles of undoped and doped (0.1 M Ni2+ and Cu2+) ZnO are synthesized using chemical precipitation method. The crystallite size, morphology, chemical bonding and optical properties of as prepared nanoparticles are determined by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy and UV-visible spectra. XRD analysis shows that the prepared samples are single phase and have hexagonal wurtzite structure. The crystallite size of the doped and undoped nanoparticles is determined using Scherrer method. The crystallite size is found to be increased with concentration of nickel and copper. All stretching and vibrational bands are observed at their specific positions through FTIR. The increase in band gap can be attributed to the different chemical nature of dopant and host cation.

Effect of Co doping concentration on structural properties and optical parameters of Co-doped ZnO thin films by sol-gel dip-coating method.

PubMed

Nam, Giwoong; Yoon, Hyunsik; Kim, Byunggu; Lee, Dong-Yul; Kim, Jong Su; Leem, Jae-Young

2014-11-01

The structural and optical properties of Co-doped ZnO thin films prepared by a sol-gel dip-coating method were investigated. X-ray diffraction analysis showed that the thin films were grown with a c-axis preferred orientation. The position of the (002) peak was almost the same in all samples, irrespective of the Co concentration. It is thus clear that Co doping had little effect on the position of the (002) peak. To confirm that Co2+ was substituted for Zn2+ in the wurtzite structure, optical measurements were conducted at room temperature by a UV-visible spectrometer. Three absorption peaks are apparent in the Co-doped ZnO thin films that do not appear for the undoped ZnO thin film. As the Co concentration was increased, absorption related to characteristic Co2+ transitions increased because three absorption band intensities and the area underneath the absorption wells between 500 and 700 nm increased with increasing Co concentration. The optical band gap and static dielectric constant decreased and the Urbach energy and extinction coefficient increased with increasing Co concentration.

Synthesis and characterization of Graphene oxide/Zinc oxide nanorods sandwich structure

NASA Astrophysics Data System (ADS)

Boukhoubza, I.; Khenfouch, M.; Achehboune, M.; Mouthudi, B.; Zorkani, I.; Jorio, A.

2018-03-01

Graphene-ZnO nanostructures composite materials have been used as very efficient candidates for various optoelectronic applications. Nowadays, the composite structure formation of ZnO nanostructures with graphene or graphene oxide is a novel, cost effective and efficient approach to control the morphology, surface defect states, band gap of ZnO nanocrystals. In this paper, we have prepared ZnO nanorods between two layers graphene oxide (GO/ZnO NRs/GO) via a simple hydrothermal method. Their morphology, structural and optical properties have been investigated. The obtained results of our composites GO/ZnO NRs/GO presented here showing an enhancement in the structural and optical properties. Thus may hold great promise to the development of the optoelectronic devices.

Synthesis of ZnO nanorods and observation of resistive switching memory in ZnO based polymer nanocomposites

NASA Astrophysics Data System (ADS)

Nair, Manjula G.; Malakar, Meenakshi; Mohapatra, Saumya R.; Chowdhury, Avijit

2018-05-01

This research reports the observation of bipolar resistive switching memory in ZnO nanorod based polymer nanocomposites. We synthesized ZnO nanorods by wet-chemical method and characterized them using XRD, UV-VIS spectroscopy and SEM. The synthesized materials have hexagonal ZnO phase with grain size of 24 nm and having strong orientation along (101) direction as observed from XRD. The SEM micrograph confirms the formation of ZnO nanorods with diameter in the range of 10 to 20 nm and length of the order of 1 µm. From optical absorption spectra the band gap is estimated to be 2.42 eV. ZnO nanorods were dispersed in PVDF-HFP polymer matrix to prepare the nanocomposite. This nanocomposite was used as active layer in the devices having sandwich structure of ITO/PVDF-HFP+ZnO nanorods/Al. Bipolar non-volatile memory was observed with ON-OFF resistance ratio of the order of 103 and with a wide voltage window of 2.3V. The switching mechanism could be due to the trapping and de-trapping of electrons by the ZnO nanorods in the nanocomposite during ON and OFF states respectively.

Acceptor-modulated optical enhancements and band-gap narrowing in ZnO thin films

NASA Astrophysics Data System (ADS)

Hassan, Ali; Jin, Yuhua; Irfan, Muhammad; Jiang, Yijian

2018-03-01

Fermi-Dirac distribution for doped semiconductors and Burstein-Moss effect have been correlated first time to figure out the conductivity type of ZnO. Hall Effect in the Van der Pauw configuration has been applied to reconcile our theoretical estimations which evince our assumption. Band-gap narrowing has been found in all p-type samples, whereas blue Burstein-Moss shift has been recorded in the n-type films. Atomic Force Microscopic (AFM) analysis shows that both p-type and n-type films have almost same granular-like structure with minor change in average grain size (˜ 6 nm to 10 nm) and surface roughness rms value 3 nm for thickness ˜315 nm which points that grain size and surface roughness did not play any significant role in order to modulate the conductivity type of ZnO. X-ray diffraction (XRD), Energy Dispersive X-ray Spectroscopy (EDS) and X-ray Photoelectron Spectroscopy (XPS) have been employed to perform the structural, chemical and elemental analysis. Hexagonal wurtzite structure has been observed in all samples. The introduction of nitrogen reduces the crystallinity of host lattice. 97% transmittance in the visible range with 1.4 × 107 Ω-1cm-1 optical conductivity have been detected. High absorption value in the ultra-violet (UV) region reveals that NZOs thin films can be used to fabricate next-generation high-performance UV detectors.

Optical and Structural Characterization of ZnO/TiO2 Bilayer Thin Films Grown by Sol-Gel Spin Coating

NASA Astrophysics Data System (ADS)

Gareso, P. L.; Musfitasari; Juarlin, Eko

2018-03-01

Structural and optical properties of ZnO/TiO2 bilayers thin films have been investigated using x-ray diffraction (X-RD), scanning electron microscopy (SEM), and optical transmittance UV-Vis measurements. ZnO thin films were prepared by dissolving zinc acetate dehydrated into a solvent of ethanol and then added triethanolamin. In the case of TiO2 layers, tetraisoproxide was dissolved into ethanol and then added an acetate acid. The layer of ZnO was deposited first followed by TiO2 layer on a glass substrate using a spin coating technique. The ZnO/TiO2 bilayers were annealed at various temperatures from 300°C until 600°C for 60 minutes. The X-ray diffraction results show that there was an enhancement of the x-ray spectra as annealed temperature increased to 600°C in comparison to the samples that were annealed at 300°C. Based on the optical measurement of UV-Vis, the band gap energy of ZnO/TiO2 bilayer is around 3.2 eV at temperature of 300°C. This value is similar to the band gap energy of ZnO. SEM results show that there is no cluster in the surface of ZnO/TiO2 bilayer.

Acceptor Type Vacancy Complexes In As-Grown ZnO

NASA Astrophysics Data System (ADS)

Zubiaga, A.; Tuomisto, F.; Zuñiga-Pérez, J.

2010-11-01

One of the many technological areas that ZnO is interesting for is the construction of opto-electronic devices working in the blue-UV range as its large band gap (˜3.4 eV at 10 K) makes them suitable for that purpose. As-grown ZnO shows generally n-type conductivity partially due to the large concentration of unintentional shallow donors, like H, but impurities can also form complexes with acceptor type defects (Zn vacancy) leading to the creation of compensating defects. Recently, LiZn and NaZn acceptors have been measured and H could form similar type of defects. Doppler Broadening Positron Annihilation spectroscopy experimental results on the observation of Zn related vacancy complexes in ZnO thin films, as-grown, O implanted and Al doped will be presented. Results show that as-grown ZnO film show small Zn vacancy related complexed that could be related to presence of H as a unintentional doping element.

The photocatalytic investigation of methylene blue dye with Cr doped zinc oxide nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ray, Rajeev; Kumar, Ashavani, E-mail: ashavani@yahoo.com

2015-08-28

The present work reports eco-friendly and cost effective sol-gel technique for synthesis of Chromium doped ZnO nanoparticles at room temperature. In this process Zinc nitrate, Chromium nitrate were used as precursor. Structural as well as optical properties of Cr induced ZnO samples were analysed by X-ray diffraction technique (XRD), SEM, PL and UV-Visible spectroscopy (UV-Vis) respectively. XRD analysis shows that the samples have hexagonal (wurtzite) structure with no additional peak which suggests that Cr ions fit into the regular Zn sites of ZnO crystal structure. By using Scherrer’s formula for pure and Cr doped ZnO samples the average grain sizemore » was found to be 32 nm. Further band gap of pure and doped ZnO samples have been calculated by using UV-Vis spectra. The photo-catalytic degradation of methyl blue dye under UV irradiation was examined for synthesized samples. The results show that the concentration plays an important role in photo-catalytic activity.« less

Spectroscopic and fiber optic ethanol sensing properties Gd doped ZnO nanoparticles.

PubMed

Noel, J L; Udayabhaskar, R; Renganathan, B; Muthu Mariappan, S; Sastikumar, D; Karthikeyan, B

2014-11-11

We report the structural, optical and gas sensing properties of prepared pure and Gd doped ZnO nanoparticles through solgel method at moderate temperature. Structural studies are carried out by X-ray diffraction method confirms hexagonal wurtzite structure and doping induced changes in lattice parameters is observed. Optical absorption spectral studies shows red shift in the absorption peak corresponds to band-gap from 3.42 eV to 3.05 eV and broad absorption in the visible range after Gd doping is observed. Scanning electron microscopic studies shows increase in particle size where the particle diameters increase from few nm to micrometers after Gd doping. The clad modified ethanol fiber-optic sensor studies for ethanol sensing exhibits best sensitivity for the 3% Gd doped ZnO nanoparticles and the sensitivity get lowered incase of higher percentage of Gd doped ZnO sample. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectroscopic Study of Deep Level Emissions from Acceptor Defects in ZnO Thin Films with Oxygen Rich Stoichiometry

NASA Astrophysics Data System (ADS)

Ilyas, Usman; Rawat, R. S.; Tan, T. L.

2013-10-01

This paper reports the tailoring of acceptor defects in oxygen rich ZnO thin films at different post-deposition annealing temperatures (500-800°C) and Mn doping concentrations. The XRD spectra exhibited the nanocrystalline nature of ZnO thin films along with inconsistent variation in lattice parameters suggesting the temperature-dependent activation of structural defects. Photoluminescence emission spectra revealed the temperature dependent variation in deep level emissions (DLE) with the presence of acceptors as dominating defects. The concentration of native defects was estimated to be increased with temperature while a reverse trend was observed for those with increasing doping concentration. A consistent decrease in DLE spectra, with increasing Mn content, revealed the quenching of structural defects in the optical band gap of ZnO favorable for good quality thin films with enhanced optical transparency.

Effect of growth parameters on the optical properties of ZnO nanostructures grown by simple solution methods

NASA Astrophysics Data System (ADS)

Kothari, Anjana

2017-05-01

ZnO, a wide band gap semiconductor is of significant interest for a range of practical applications. One of the highly attractive features of ZnO is to grow variety of nanostructures by using low-cost techniques. In this paper, we report deposition of ZnO nanostructure rod-arrays (NRA) via low-temperature, solution-based deposition techniques such as chemical bath deposition (CBD) and microwave-assisted chemical bath deposition (MACBD). A detailed study of film deposition parameters such as variation in concentration of precursors and deposition temperature has been carried out. Compositional and structural study of the films has been done by X-ray Diffractometer to know the phase and purity of the final product. Morphological study of these structures has been carried out by Scanning Electron Microscopy. Optical study such as transmittance and diffuse reflectance of the films has been carried out as a function of growth parameters.

The investigation of the Cr doped ZnO thin films deposited by thermionic vacuum arc technique

NASA Astrophysics Data System (ADS)

Mohammadigharehbagh, Reza; Pat, Suat; Musaoglu, Caner; Korkmaz, Şadan; Özen, Soner

2018-02-01

Cr doped ZnO thin films were prepared onto glass and polyethylene terephthalate (PET) substrates using thermionic vacuum arc. XRD patterns show the polycrystalline nature of the films. Cr, Zn, ZnO and Cr2O3 were detected in the layers. The mean crystallite sizes of the films were calculated about 20 nm for the films onto glass and PET substrates. The maximum dislocation density and internal strain values of the films are calculated. According to the optical analysis, the average transmittance and reflectance of the films were found to be approximately 53% and 16% for glass and PET substrates, respectively. The mean refractive index of the layer decreased to 2.15 from 2.38 for the PET substrate. The band gap values of the Cr-doped ZnO thin films were determined as 3.10 and 3.13 eV for glass and PET substrates.

Positron annihilation spectroscopic characterization of defects in wide band gap oxide semiconductors

NASA Astrophysics Data System (ADS)

Sarkar, A.; Luitel, Homnath; Gogurla, N.; Sanyal, D.

2017-03-01

Annealing effect of granular ZnO has been studied by Doppler broadened electron positron annihilated γ-ray (0.511 MeV) line shape measurement. Ratio curve analysis shows that granular ZnO samples contain both Zn and O vacancies. Such defects exist as agglomerates of several vacancies and start to recover above 400 °C annealing. It has also been observed that due to annealing temperature difference of 125 °C (from 325 °C to 450 °C), huge change occurs in low temperature photoluminescence (PL) of ZnO. Significant reduction of free to bound (FB) transition ~3.315 eV is observed for increasing the annealing temperature. It has been conjectured that ~3.315 eV PL in ZnO is related to particular decoration (unknown) of both Zn and O vacancies. The methodology of revealing defect-property correlation as employed here can also be applied to other types of semiconductors.

Rapid green synthesis of ZnO nanoparticles using a hydroelectric cell without an electrolyte

NASA Astrophysics Data System (ADS)

Shah, Jyoti; Kumar Kotnala, Ravinder

2017-09-01

In this study, zinc oxide (ZnO) nanoparticles were synthesized using a novel environmentally friendly hydroelectric cell without an electrolyte or external current source. The hydroelectric cell comprised a nanoporous Li substituted magnesium ferrite pellet in contact with two electrodes, with zinc as the anode and silver as an inert cathode. The surface unsaturated cations and oxygen vacancies in the nanoporous ferrite dissociated water molecules into hydronium and hydroxide ions when the hydroelectric cell was dipped into deionized water. Hydroxide ions migrated toward the zinc electrode to form zinc hydroxide and the hydronium ions were evolved as H2 gas at the silver electrode. The zinc hydroxide collected as anode mud was converted into ZnO nanoparticles by heating at 250 °C. Structural analysis using Raman spectroscopy indicated the good crystallinity of the ZnO nanoparticles according to the presence of a high intensity E2-(high) mode. The nanoparticle size distribution was 5-20 nm according to high resolution transmission electron microscopy. An indirect band gap of 2.75 eV was determined based on the Tauc plot, which indicated the existence of an interstitial cation level in ZnO. Near band edge and blue emissions were detected in photoluminescence spectral studies. The blue emissions obtained from the ZnO nanoparticles could potentially have applications in blue lasers and LEDs. The ZnO nanoparticles synthesized using this method had a high dielectric constant value of 5 at a frequency of 1 MHz, which could be useful for fabricating nano-oscillators. This facile, clean, and cost-effective method obtained a significant yield of 0.017 g for ZnO nanoparticles without applying an external current source.

Understanding lattice defects to influence ferromagnetic order of ZnO nanoparticles by Ni, Cu, Ce ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Verma, Kuldeep Chand, E-mail: dkuldeep.physics@gmail.com; Kotnala, R.K., E-mail: rkkotnala@gmail.com

Future spintronics technologies based on diluted magnetic semiconductors (DMS) will rely heavily on a sound understanding of the microscopic origins of ferromagnetism in such materials. It remains unclear, however, whether the ferromagnetism in DMS is intrinsic - a precondition for spintronics - or due to dopant clustering. For this, we include a simultaneous doping from transition metal (Ni, Cu) and rare earth (Ce) ions in ZnO nanoparticles that increase the antiferromagnetic ordering to achieve high-T{sub c} ferromagnetism. Rietveld refinement of XRD patterns indicate that the dopant ions in ZnO had a wurtzite structure and the dopants, Ni{sup 2+}, Cu{sup 2+},more » Ce{sup 3+} ions, are highly influenced the lattice constants to induce lattice defects. The Ni, Cu, Ce ions in ZnO have nanoparticles formation than nanorods was observed in pure sample. FTIR involve some organic groups to induce lattice defects and the metal-oxygen bonding of Zn, Ni, Cu, Ce and O atoms to confirm wurtzite structure. Raman analysis evaluates the crystalline quality, structural disorder and defects in ZnO lattice with doping. Photoluminescence spectra have strong near-band-edge emission and visible emission bands responsible for defects due to oxygen vacancies. The energy band gap is calculated using Tauc relation. Room temperature ferromagnetism has been described due to bound magnetic polarons formation with Ni{sup 2+}, Cu{sup 2+}, Ce{sup 3+} ions in ZnO via oxygen vacancies. The zero field and field cooling SQUID measurement confirm the strength of antiferromagnetism in ZnO. The field cooling magnetization is studied by Curie-Weiss law that include antiferromagnetic interactions up to low temperature. The XPS spectra have involve +3/+4 oxidation states of Ce ions to influence the observed ferromagnetism. - Graphical abstract: The lattice defects/vacancies attributed by Ni and Ce ions in the wurtzite ZnO structure are responsible in high T{sub c} -ferromagnetism due to long-range magnetic interactions with cluster and spin-glass type growth. - Highlights: • Lattice defects/vacancies attributed high T{sub c} –ferromagnetism. • Transition metal and rare earth ions deform the wurtzite ZnO lattice to induce defects. • Oxygen vacancies are more favorable than Zn with Ni, Cu, Ce into ZnO. • Defects assisted long-range ferromagnetism of doped ZnO include cluster and spin-glass growth.« less

Microstress, strain, band gap tuning and photocatalytic properties of thermally annealed and Cu-doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Prasad, Neena; V. M. M, Saipavitra; Swaminathan, Hariharan; Thangaraj, Pandiyarajan; Ramalinga Viswanathan, Mangalaraja; Balasubramanian, Karthikeyan

2016-06-01

ZnO nanoparticles and Cu-doped ZnO nanoparticles were prepared by co-precipitation method. Also, a part of the pure ZnO nanoparticles were annealed at 750 °C for 3, 6, and 9 h. X-ray diffraction studies were carried out and the lattice parameters, unit cell volume, interplanar spacing, and Young's modulus were calculated for all the samples, and also the crystallite size was found using the Scherrer method. X-ray peak broadening analysis was used to estimate the crystallite sizes and the strain using the Williamson-Hall (W-H) method and the size-strain plot (SSP) method. Stress and the energy density were calculated using the W-H method assuming different models such as uniform deformation model, uniform strain deformation model, uniform deformation energy density model, and the SSP method. Optical absorption properties of the samples were understood from their UV-visible spectra. Photocatalytic activities of ZnO and 5 % Cu-doped ZnO were observed by the degradation of methylene blue dye in aqueous medium under the irradiation of 20-W compact fluorescent lamp for an hour.

Concentration specific and tunable photoresponse of bismuth vanadate functionalized hexagonal ZnO nanocrystals based photoanodes for photoelectrochemical application

NASA Astrophysics Data System (ADS)

Singh, Sonal; Ruhela, Aakansha; Rani, Sanju; Khanuja, Manika; Sharma, Rishabh

2018-02-01

In the present work, dual layer BiVO4/ZnO photoanode is instigated for photo-electrochemical (PEC) water splitting applications. Two different photocatalytic layers ZnO and BiVO4, reduces charge carrier recombination and charge transfer resistance at photoanode/electrolyte junction. The concentration-specific, tunable and without 'spike and overshoot' features, photocurrent density response is originated by varying BiVO4 concentration in the BiVO4/ZnO photoanode. The crystal structure of ZnO (hexagonal wurtzite structure) and BiVO4 (monoclinic scheelite structure) is confirmed by X-ray diffraction studies. The band gap of BiVO4/ZnO was estimated to be ca. 2.42 eV through Kubler-Munk function F(R∞) using diffuse reflectance spectroscopy. Electrochemical behavior of samples was analyzed with photocurrent measurements, electrochemical impedance, Mott-Schottky plots, bulk separation efficiency and surface transfer efficiency. The maximum photocurrent density of BiVO4/ZnO photoanode was found to be 2.3 times higher than pristine ZnO sample.0.038 M BiVO4/ZnO exhibited the highest separation efficiency of 72% and surface transfer efficiency of 64.7% at +1.23 V vs. RHE. Mott-Schottky study revealed the maximum charge carrier density in the same sample.

Investigations on photoelectrochemical performance of boron doped ZnO nanorods synthesized by facile hydrothermal technique

NASA Astrophysics Data System (ADS)

Sharma, Akash; Chakraborty, Mohua; Thangavel, R.

2018-05-01

Undoped and 10% Boron (B)-doped Zinc Oxide nanorods (ZnO NRs) on Tin doped Indium Oxide (ITO) coated glass substrates were synthesized using facile sol-gel, spin coating and hydrothermal method. The impact of adding Boron on the structural, optical properties, surface morphology and photoelectrochemical (PEC) performances of the ZnO NRs have been investigated. The XRD pattern confirmed the formation of pure hexagonal phase with space group P63mc (186). The same can also be clearly observed form the FESEM images. The UV-Vis study shows the narrowing in band gap from 3.22 eV to 3.19 eV with incorporation of Boron in ZnO matrix. The B-doped ZnO NRs sample shows an enhanced photocurrent density of 1.31 mA/cm2 at 0.5 V (vs. Ag/AgCl), which is more than 171% enhancement compared to bare ZnO NRs (0.483 mA/cm2) in 0.1 M Na2SO4 aqueous solution. The results clearly indicates that the boron doped ZnO NRs can be used as an efficient photoelectrode material for photoelectrochemical cell.

Tri-functional Fe2O3-encased Ag-doped ZnO nanoframework: magnetically retrievable antimicrobial photocatalyst

NASA Astrophysics Data System (ADS)

Karunakaran, Chockalingam; Vinayagamoorthy, Pazhamalai

2016-11-01

Fe2O3-encased ZnO nanoframework was obtained by hydrothermal method and was doped with Ag through photoreduction process. Energy dispersive x-ray spectroscopy, transmission electron microscopy (TEM), high resolution TEM, selected area electron diffractometry, x-ray diffractometry and Raman spectroscopy were employed for the structural characterization of the synthesized material. While the charge transfer resistance of the prepared nanomaterial is larger than those of Fe2O3 and ZnO the coercivity of the nanocomposite is less than that of hydrothermally obtained Fe2O3 nanostructures. Although Fe2O3/Ag-ZnO exhibits weak visible light absorption its band gap energy does not differ from that of ZnO. The photoluminescence of the fabricated nanoframework is similar to that of ZnO. The radiative recombination of charge carriers is slightly slower in Fe2O3/Ag-ZnO than in ZnO. The synthesized Fe2O3-encased Ag-doped ZnO, under UV A light, exhibits sustainable photocatalytic activity to degrade dye and is magnetically recoverable. Also, the Fe2O3/Ag-ZnO nanocomposite disinfects bacteria effectively in absence of direct illumination.

Delocalization of π electrons and trapping action of ZnO nanoparticles in PPY matrix for hybrid solar cell application

NASA Astrophysics Data System (ADS)

Singh, Rajinder; Choudhary, Ram Bilash; Kandulna, Rohit

2018-03-01

Polypyrrole (PPY)-Zinc Oxide (ZnO) nanocomposites with varying concentration of ZnO (1:1-1:4) were prepared via in-situ polymerization technique by using pyrrole monomer in the presence of ammonium persulphate (APS) as oxidant. Globular morphology of PPY and sheet like structure of ZnO was examined using FESEM and EDAX. FTIR showed the presence of vibration modes in fingerprint region (1500 cm-1-500 cm-1) for metal oxides confirming the presence and interaction of ZnO with the polymer matrix in nanocomposites. Amorphous nature of PPY and hexagonal wurtzite structure of ZnO was confirmed using XRD with average crystallite size within 20 nm-30 nm. PANI-ZnO (1:1) exhibited blue shift in comparison to PPY (neat) and optimized optical band gap ∼ 1.81 eV. The effect of carrier concentration was investigated using electrochemical analyzer and maximum current was recorded for PANI-ZnO (1:1). The highest conductance was calculated for PANI-ZnO (1:1) ∼ 7.3242 × 10-3 S using current -voltage characteristics. Thermal stability was found to be increasing with the increase in ZnO concentration PANI-ZnO nanocomposite.

Biosynthesis and characterization of ZnO nanoparticles using the aqueous leaf extract of Imperata cylindrica L.

NASA Astrophysics Data System (ADS)

Saputra, I. S.; Yulizar, Y.

2017-04-01

ZnO nanoparticles (ZnO NPs) were biosynthesized.The growth was observed by a sol-gel method. ZnO were successfully formed through the reaction of zinc nitrate tetrahydrate Zn(NO3)2.4H2O precursor with aqueous leaf extract of Imperata cylindrica L (ICL). The structural and optical properties of ZnO were investigated. The as-synthesized products were characterized by UV-Visible (UV-Vis), UV diffuse reflectance spectroscopy (UV-DRS), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS). UV-Vis absorption data showed hydrolysis and characteristic of absorption peak at 300 nm of Zn(OH)2. UV-DRS confirmed that ZnO NPs has the indirect band gap at 3.13 eV. FTIR spectrum revealed the functional groups and indicated the presence of protein as the capping and stabilizing agent on the ZnO surface. Powder XRD studies indicated the formation of pure wurtzite hexagonal structure with particle size of 11.9 nm. The detailed morphological and structural characterizations revealed that the synthesized products were hexagonal nanochip.

Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

NASA Astrophysics Data System (ADS)

Shi, H.-L.; Duan, Y.

2008-12-01

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower p atomic energy level as dopant to perform p-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of p- d repulsion. The NO acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.

ZnO-based ultraviolet photodetectors.

PubMed

Liu, Kewei; Sakurai, Makoto; Aono, Masakazu

2010-01-01

Ultraviolet (UV) photodetection has drawn a great deal of attention in recent years due to a wide range of civil and military applications. Because of its wide band gap, low cost, strong radiation hardness and high chemical stability, ZnO are regarded as one of the most promising candidates for UV photodetectors. Additionally, doping in ZnO with Mg elements can adjust the bandgap largely and make it feasible to prepare UV photodetectors with different cut-off wavelengths. ZnO-based photoconductors, Schottky photodiodes, metal-semiconductor-metal photodiodes and p-n junction photodetectors have been developed. In this work, it mainly focuses on the ZnO and ZnMgO films photodetectors. We analyze the performance of ZnO-based photodetectors, discussing recent achievements, and comparing the characteristics of the various photodetector structures developed to date.

Tapioca starch: An efficient fuel in gel-combustion synthesis of photocatalytically and anti-microbially active ZnO nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramasami, Alamelu K.; Raja Naika, H.; Nagabhushana, H.

Zinc oxide nanoparticles were synthesized by gel-combustion method using novel bio-fuel tapioca starch pearls, derived from the tubers of Manihotesculenta. The product is characterized using various techniques. The X-ray diffraction pattern correspond to a hexagonal zincite structure. Fourier transform infrared spectrum showed main absorption peaks at 394 and 508 cm{sup −} {sup 1} due to stretching vibration of Zn–O. Ultravoilet–visible spectrum of zinc oxide nanoparticles showed absorption maximum at 373 nm whereas the maximum of the bulk zinc oxide was 377 nm. The morphology of the product was studied using scanning electron microscopy and transmission electron microscopy. The scanning electronmore » microscopic images showed that the products are agglomerated and porous in nature. The transmission electron microscopic images revealed spherical particles of 40–50 nm in diameter. The photocatalytic degradation of methylene blue was examined using zinc oxide nanoparticles and found more efficient in sunlight than ultra-violet light due to reduced band gap. The antibacterial properties of zinc oxide nanoparticles were investigated against four bacterial strains Klebsiella aerogenes, Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aereus, where Pseudomonas aeruginosa and Staphylococcus aereus exhibited significant antibacterial activity in agar well diffusion method when compared to positive control. - Highlights: • ZnO nanoparticles have been prepared from a new bio-fuel, tapioca starch by gel combustion method. • XRD pattern revealed hexagonal zincite crystal structure with crystallite size 33 nm. • ZnO nanoparticles exhibited a band gap of 2.70 eV. • The ZnO nanoparticles exhibited superior degradation in sunlight in comparison with UV light. • The product showed a good anti-bacterial activity against two bacterial strains.« less

Preparation, structural, photoluminescence and magnetic studies of Cu doped ZnO nanoparticles co-doped with Ni by sol-gel method

NASA Astrophysics Data System (ADS)

Theyvaraju, D.; Muthukumaran, S.

2015-11-01

Zn0.96-xNi0.04CuxO nanoparticles have been synthesized by varying different Cu concentrations between 0% and 4% using simple sol-gel method. X-ray diffraction studies confirmed the hexagonal structure of the prepared samples. The formation of secondary phases, CuO (111) and Zn (101) at higher Cu content is due un-reacted Cu2+ and Zn2+ ions present in the solution which reduces the interaction between precursor ions and surfaces of ZnO. Well agglomerated and rod-like structure noticed at Cu=4% greatly de-generate and enhanced the particle size. The nominal elemental composition of Zn, Cu, Ni and O was confirmed by energy dispersive X-ray analysis. Even though energy gap was increased (blue-shift) from Cu=0-2% by quantum size effect, the s-d and p-d exchange interactions between the band electrons of ZnO and localized d electrons of Cu and Ni led to decrease (red-shift) the energy gap at Cu=4%. Presence of Zn-Ni-Cu-O bond was confirmed by Fourier transform infrared analysis. Ultraviolet emission by band to band electronic transition and defect related blue emission were discussed by photoluminescence spectra. The observed optical properties concluded that the doping of Cu in the present system is useful to tune the emission wavelength and hence acting as the important candidates for the optoelectronic device applications. Ferromagnetic ordering of Cu=2% sample was enhanced by charge carrier concentration where as the antiferromagnetic interaction between neighboring Cu-Cu ions suppressed the ferromagnetism at higher doping concentrations of Cu.

Electronic structure-sunlight driven water splitting activity correlation of (Zn1-yGay)(O1-zNz).

PubMed

RajaAmbal, Sivaraman; Yadav, A K; Jha, S N; Bhattacharyya, D; Gopinath, Chinnnakonda S

2014-11-21

(Zn1-yGay)(O1-zNz) (y≤ 0.10; z≤ 0.15) solid solutions have been investigated for their electronic structure and visible light photocatalytic activity, and a correlation was found between them. (Zn1-yGay)(O1-zNz) with ZnO as the major component have been synthesized by a solution combustion method in 10 minutes using simple raw materials. The local structures of Zn K edge and Ga K edge, and changes in the chemical environment with the incorporation of Ga and N in ZnO were determined by EXAFS study. EXAFS and XRD results suggested the dissolution of GaN in the ZnO lattice. The homogeneity of the solid solution was demonstrated from HRTEM studies. Photoluminescence studies revealed the creation of a new band at the top of the ZnO valence band (VB), and thus the broadening of the VB of (Zn1-yGay)(O1-zNz) or a decrease in the band gap was attributed to the origin of visible light absorption. UV-Vis spectral studies showed light absorption up to 550 nm, which directly supports the VB broadening. Predominant oxygen vacancies and high photocorrosion observed for ZnO were fully suppressed for (Zn1-yGay)(O1-zNz), indicating the minimization of defects, and thus more sustainability under irradiation conditions. The bare solid solution exhibited reasonable and promising activity for solar hydrogen evolution and photoelectrochemical current generation at 0 V. The present work explained factors such as the preparation method, single phase structure with the stabilization of integral parts, homogeneity in the structure, compensation of oxygen vacancies, and suppression of the density of recombination centres that play a pivotal role in realizing solar energy harvesting.

Anomalous antibacterial activity and dye degradation by selenium doped ZnO nanoparticles.

PubMed

Dutta, Raj Kumar; Nenavathu, Bhavani Prasad; Talukdar, Soumita

2014-02-01

Selenium doped ZnO nanoparticles synthesized by mechanochemical method were spherically shaped of size distribution of 10.2±3.4 nm measured by transmission electron microscopy. Diffused reflectance spectroscopy revealed increase in the band gap, ranging between 3.47 eV and 3.63 eV due to Se doping in ZnO nanoparticles. The antibacterial activity of pristine and Se doped ZnO nanoparticles was attributed to ROS (reactive oxygen species) generation in culture media confirmed by TBARS assay. Compared to complete inhibition of growth by 0.45 mg/mL of pristine ZnO nanoparticles, the batches of 0.45 mg/mL of selenium doped ZnO nanoparticles exhibited only 51% inhibition of growth of Escherichia coli. The reduced antibacterial activity of selenium doped ZnO nanoparticles was attributed to two opposing factors, e.g., ROS generation for inhibition of growth, countered by sustaining growth of E. coli due to availability of Se micronutrients in culture media, confirmed by inductively coupled plasma mass spectrometer measurement. Higher ROS generation by selenium doped ZnO nanoparticles was attributed to creation of oxygen vacancies, confirmed from green emission peak observed at 565 nm. The impact of higher ROS generation by selenium doped ZnO nanoparticles was evident from enhanced photocatalytic degradation of trypan blue dye, than pristine ZnO nanoparticles. Copyright © 2013 Elsevier B.V. All rights reserved.

The optoelectronic properties and role of Cu concentration on the structural and electrical properties of Cu doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Omri, K.; Bettaibi, A.; Khirouni, K.; El Mir, L.

2018-05-01

In the current study, we synthesized a Cu-doped ZnO (CZO) nanoparticles material using a sol-gel method with different doping concentrations of Cu (0, 2, 3 and 4 at.%). The control of the Cu concentration on structural, electrical and optical properties of CZO nanoparticles was investigated in detail. The XRD analysis of the CZO nanoparticles reveals the formation of ZnO hexagonal wurtzite structure for all samples which confirm the incorporation of Cu2+ ions into the ZnO lattice by substitution. Furthermore, CZO nanoparticles showed a small red shift of absorption band with the incorporation of Cu from 0 to 4 at.%; i.e. a decreased band gap value from 3.34 eV to 3.27 eV with increasing of Cu doping content. The frequency dispersion of the electric conductivity were studied using the Jonscher universal power law, according to relation σ(ω) = σDC + A ωs(T). Alternative current conductivity increases with increasing Cu content in spite of the decrease the activation energy with copper loading. It was found that the conductivity reached its maximum value for critical Cu concentration of 3 at.%. The frequency relaxation phenomenon was also investigated and all results were discussed in term of the copper doping concentration.

Down-top nanofabrication of binary (CdO)x (ZnO)1–x nanoparticles and their antibacterial activity

PubMed Central

Al-Hada, Naif Mohammed; Mohamed Kamari, Halimah; Abdullah, Che Azurahanim Che; Saion, Elias; Shaari, Abdul H; Talib, Zainal Abidin; Matori, Khamirul Amin

2017-01-01

In the present study, binary oxide (cadmium oxide [CdO])x (zinc oxide [ZnO])1–x nanoparticles (NPs) at different concentrations of precursor in calcination temperature were prepared using thermal treatment technique. Cadmium and zinc nitrates (source of cadmium and zinc) with polyvinylpyrrolidone (capping agent) have been used to prepare (CdO)x (ZnO)1–x NPs samples. The sample was characterized by X-ray diffraction (XRD), scanning electron microscopy, energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. XRD patterns analysis revealed that NPs were formed after calcination, which showed a cubic and hexagonal crystalline structure of (CdO)x (ZnO)1–x NPs. The phase analysis using EDX spectroscopy and FTIR spectroscopy confirmed the presence of Cd and Zn as the original compounds of prepared (CdO)x (ZnO)1–x NP samples. The average particle size of the samples increased from 14 to 33 nm as the concentration of precursor increased from x=0.20 to x=0.80, as observed by TEM results. The surface composition and valance state of the prepared product NPs were determined by X-ray photoelectron spectroscopy (XPS) analyses. Diffuse UV–visible reflectance spectra were used to determine the optical band gap through the Kubelka–Munk equation; the energy band gap was found to decrease for CdO from 2.92 to 2.82 eV and for ZnO from 3.22 to 3.11 eV with increasing x value. Additionally, photoluminescence (PL) spectra revealed that the intensity in PL increased with an increase in particle size. In addition, the antibacterial activity of binary oxide NP was carried out in vitro against Escherichia coli ATCC 25922 Gram (−ve), Salmonella choleraesuis ATCC 10708, and Bacillus subtilis UPMC 1175 Gram (+ve). This study indicated that the zone of inhibition of 21 mm has good antibacterial activity toward the Gram-positive B. subtilis UPMC 1175. PMID:29200844

Bio-industrial waste silk fibroin protein and carbon nanotube induced carbonized growth of one dimensional ZnO based bio-nanosheets and their enhanced optoelectronic properties.

PubMed

Saravanan, Adhimoorthy; Huang, Bohr-Ran; Kathiravan, Deepa

2018-06-01

High performance UV/visible photodetectors are successfully fabricated from ZnO/fibroin protein-carbon nanotube (ZFPCNT) composites using a simple hydrothermal method. The as-fabricated ZnO nanorods (ZnO NRs) and ZFPCNT nanostructures were measured under different light illuminations. The measurements showed the UV-light photoresponse of the as-fabricated ZFPCNT nanostructures (55,555) to be approximately 26454% higher than that of the as-prepared ZnO NRs (210). This photodetector can sense photons with energies considerably smaller (2.75 eV) than the band gap of ZnO (3.22 eV). It was observed that the finest distribution of fibroin and CNT into 1D ZnO resulted in rapid electron transportation and hole recombination via carbon/nitrogen dopants from the ZFPCNT. Carbon dopants create new energy levels on the conduction band of the ZFPCNT, which reduces the barrier height to allow for charge carrier transportation under light illumination. Moreover, the nitrogen dopants increase the adsorptivity and amount of oxygen vacancies in the ZFPCNT so that it exhibits fast response/recovery times both in the dark and under light illumination. The selectivity of UV light among the other types of illumination can be ascribed to the deep-level energy traps (ET) of the ZFPCNT. These significant features of ZFPCNT lead to the excellent optical properties and creation of new pathways for the production of low-cost semiconductors and bio-waste protein based UV/visible photodetectors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heavily-doped ZnO:Al thin films prepared by using magnetron Co-sputtering: Optical and electrical properties

NASA Astrophysics Data System (ADS)

Moon, Eun-A.; Jun, Young-Kil; Kim, Nam-Hoon; Lee, Woo-Sun

2016-07-01

Photovoltaic applications require transparent conducting-oxide (TCO) thin films with high optical transmittance in the visible spectral region (380 - 780 nm), low resistivity, and high thermal/chemical stability. The ZnO thin film is one of the most common alternatives to the conventional indium-tin-oxide (ITO) thin film TCO. Highly transparent and conductive ZnO thin films can be prepared by doping with group III elements. Heavily-doped ZnO:Al (AZO) thin films were prepared by using the RF magnetron co-sputtering method with ZnO and Al targets to obtain better characteristics at a low cost. The RF sputtering power to each target was varied to control the doping concentration in fixed-thickness AZO thin films. The crystal structures of the AZO thin films were analyzed by using X-ray diffraction. The morphological microstructure was observed by using scanning electron microscopy. The optical transmittance and the band gap energy of the AZO thin films were examined with an UV-visible spectrophotometer in the range of 300 - 1800 nm. The resistivity and the carrier concentration were examined by using a Hall-effect measurement system. An excellent optical transmittance > 80% with an appropriate band gap energy (3.26 - 3.27 eV) and an improved resistivity (~10 -1 Ω·cm) with high carrier concentration (1017 - 1019 cm -3) were demonstrated in 350-nm-thick AZO thin films for thin-film photovoltaic applications.

Parameters optimization for synthesis of Al-doped ZnO nanoparticles by laser ablation in water

NASA Astrophysics Data System (ADS)

Krstulović, Nikša; Salamon, Krešimir; Budimlija, Ognjen; Kovač, Janez; Dasović, Jasna; Umek, Polona; Capan, Ivana

2018-05-01

Al-doped ZnO crystalline colloidal nanoparticles were synthesized by a laser ablation of ZnO:Al2O3 in MilliQ water. Experiments were performed systematically by changing the number of applied laser pulses and laser output energy with the aim to affect the nanoparticle size, composition (Al/Zn ratio) and characteristics (band-gap, crystallinity). Distinctly, set of nanoparticle syntheses was performed in deionized water for comparison. SEM investigation of colloidal nanoparticles revealed that the formed nanoparticles are 30 nm thick discs with average diameters ranging from 450 to 510 nm. It was found that craters in the target formed during the laser ablation influence the size of synthesized colloidal nanoparticles. This is explained by efficient nanoparticle growth through diffusion process which take place in spatially restricted volume of the target crater. When laser ablation takes place in deionized water the synthesized nanoparticles have a mesh-like structure with sparse concentration of disc-like nanoparticles. Al/Zn ratio and band-gap energy of nanoparticles are highly influenced by the number and output energy of applied laser pulses. In addition, the procedure how to calculate the concentration of colloidal nanoparticles synthesized by laser ablation in liquids is proposed. The Al-doped ZnO colloidal nanoparticles properties were obtained using different techniques like scanning electron microscopy, optical microscopy, energy-dispersive X-ray spectroscopy, grazing-incidence X-ray diffraction, photoabsorption, photoluminescence and X-ray photoelectron spectroscopy.

Rietveld-refinement and optical study of the Fe doped ZnO thin film by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kumar, Arun; Dhiman, Pooja; Singh, M.

2017-05-01

Fe Doped ZnO Dilute Magnetic Semiconductor thin film prepared by RF magnetron sputtering on glass substrate and Influence of 3% Fe-doping on structural and Optical properties has been studied. The Rietveld-refinement analysis shows that Fe doping has a significant effect on crystalline structure, grain size and strain in the thin film. Two dimensional and three-dimensional atom probe tomography of the thin film shows that Fe ions are randomly distributed which is supported by Xray Diffraction (XRD). Fe-doping is found to effectively modify the band gap energy up to 3.5 eV.

Role of defects in ferromagnetism in Zn1-xCoxO : A hybrid density-functional study

NASA Astrophysics Data System (ADS)

Patterson, C. H.

2006-10-01

Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p - or n -type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low defect density and x in the range used in experimental thin-film studies exhibits ferromagnetism only at very low temperatures. Therefore defects in thin-film samples or nanocrystals may play an important role in promoting magnetic interactions between Co ions in Zn1-xCoxO . The mechanism of exchange coupling induced by defect states is considered and compared to a model for ferromagnetism in dilute magnetic semiconductors [T. Dietl , Science 287, 1019 (2000)]. The electronic structures of Co substituted for Zn in ZnO, Zn, and O vacancies, substituted N, and interstitial Zn in ZnO were calculated using the B3LYP hybrid density functional in a supercell. The B3LYP functional predicts a band gap of 3.34eV for bulk ZnO, close to the experimental value of 3.47eV . Occupied minority-spin Co 3d levels are at the top of the valence band and unoccupied levels lie above the conduction-band minimum. Majority-spin Co 3d levels hybridize strongly with bulk ZnO states. The neutral O vacancy defect level is predicted to lie deep in the band gap, and interstitial Zn is predicted to be a deep donor. The Zn vacancy is a deep acceptor, and the acceptor level for substituted N is at midgap. The possibility that p - or n -type dopants promote exchange coupling of Co ions was investigated by computing the total energies of magnetic states of ZnO supercells containing two Co ions and an oxygen vacancy, substituted N, or interstitial Zn in various charge states. The neutral N defect and the singly positively charged O vacancy are the only defects which strongly promote ferromagnetic exchange coupling of Co ions at intermediate range. Total energy calculations on supercells containing two O vacancies and one Zn vacancy clearly show that pairs of singly positively charged O vacancies are unstable with respect to dissociation into neutral and doubly positively charged vacancies; the oxygen vacancy is a “negative U ” defect. This apparently precludes simple charged O vacancies as a mediator of ferromagnetism in Zn1-xCoxO .

Color Tuning in Garnet Oxides: The Role of Tetrahedral Coordination Geometry for 3 d Metal Ions and Ligand-Metal Charge Transfer (Band-Gap Manipulation).

PubMed

Bhim, Anupam; Laha, Sourav; Gopalakrishnan, Jagannatha; Natarajan, Srinivasan

2017-10-18

We explored garnet-structured oxide materials containing 3d transition-metal ions (e.g., Co 2+ , Ni 2+ , Cu 2+ , and Fe 3+ ) for the development of new inorganic colored materials. For this purpose, we synthesized new garnets, Ca 3 Sb 2 Ga 2 ZnO 12 (I) and Ca 3 Sb 2 Fe 2 ZnO 12 (II), that were isostructural with Ca 3 Te 2 Zn 3 O 12 . Substitution of Co 2+ , Ni 2+ , and Cu 2+ at the tetrahedral Zn 2+ sites in I and II gave rise to brilliantly colored materials (different shades of blue, green, turquoise, and red). The materials were characterized by optical absorption spectroscopy and CIE chromaticity diagrams. The Fe 3+ -containing oxides showed band-gap narrowing (owing to strong sp-d exchange interactions between Zn 2+ and the transition-metal ion), and this tuned the color of these materials uniquely. We also characterized the color and optical absorption properties of Ca 3 Te 2 Zn 3-x Co x O 12 (0

Reduced graphene Oxide/ZnO nanostructures based rectifier diode

NASA Astrophysics Data System (ADS)

Bhatnagar, Sameeksha; Kumar, Ravi; Sharma, Monika; Kuanr, Bijoy K.

2017-05-01

We report on the fabrication and characterization of graphene oxide and reduced graphene oxide/ZnO nanostructures on ITO-coated glass substrates for the rectification properties of a heterojunction device. The composites of GO/ZnO and rGO/ZnO were synthesized by the modified Hummers method followed by annealing process in N2 and H2 ambient atmosphere at various temperatures. The structural and compositional analysis of the composite material have been investigated using X-ray diffraction spectroscopy and Raman spectroscopy. The optical properties of the composite films were studied by UV-visible spectroscopy and the band-gap was obtained by Tauc's plot. The band-gap reduces to 2.4 eV for the composite film as compared to ZnO film 3.26 eV. The I-V characteristics of ZnO thin films and rGO/ZnO films were done for different light conditions viz dark, ambient light and UV-illumination. It has been observed that the threshold voltage decreases when the sample was placed in UV-illumination. A direct variation in photo-response is revealed with the bias voltage as well as UV illumination. The fabricated device could be used as an Ultraviolet Photo-detector.

Plasma treatment of p-GaN/n-ZnO nanorod light-emitting diodes

NASA Astrophysics Data System (ADS)

Leung, Yu Hang; Ng, Alan M. C.; Djurišic, Aleksandra B.; Chan, Wai Kin; Fong, Patrick W. K.; Lui, Hsien Fai; Surya, Charles

2014-03-01

Zinc oxide (ZnO) is a material of great interest for short-wavelength optoelectronic applications due to its wide band gap (3.37 eV) and high exciton binding energy (60 meV). Due to the difficulty in stable p-type doping of ZnO, other p-type materials such as gallium nitride (GaN) have been used to form heterojunctions with ZnO. p-GaN/n-ZnO heterojunction devices, in particular light-emitting diodes (LED) have been extensively studied. There was a huge variety of electronic properties and emission colors on the reported devices. It is due to the different energy alignment at the interface caused by different properties of the GaN layer and ZnO counterpart in the junction. Attempts have been made on modifying the heterojunction by various methods, such as introducing a dielectric interlayer and post-growth surface treatment, and changing the growth methods of ZnO. In this study, heterojunction LED devices with p-GaN and ZnO nanorods array are demonstrated. The ZnO nanorods were grown by a solution method. The ZnO nanorods were exposed to different kinds of plasma treatments (such as nitrogen and oxygen) after the growth. It was found that the treatment could cause significant change on the optical properties of the ZnO nanorods, as well as the electronic properties and light emissions of the resultant LED devices.

Studies on visible light photocatalytic and antibacterial activities of nanostructured cobalt doped ZnO thin films prepared by sol-gel spin coating method.

PubMed

Poongodi, G; Anandan, P; Kumar, R Mohan; Jayavel, R

2015-09-05

Nanostructured cobalt doped ZnO thin films were deposited on glass substrate by sol-gel spin coating technique and characterized by X-ray diffraction, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and UV-Vis spectroscopy. The XRD results showed that the thin films were well crystalline with hexagonal wurtzite structure. The results of EDAX and XPS revealed that Co was doped into ZnO structure. FESEM images revealed that the films possess granular morphology without any crack and confirm that Co doping decreases the grain size. UV-Vis transmission spectra show that the substitution of Co in ZnO leads to band gap narrowing. The Co doped ZnO films were found to exhibit improved photocatalytic activity for the degradation of methylene blue dye under visible light in comparison with the undoped ZnO film. The decrease in grain size and extending light absorption towards the visible region by Co doping in ZnO film contribute equally to the improved photocatalytic activity. The bactericidal efficiency of Co doped ZnO films were investigated against a Gram negative (Escherichia coli) and a Gram positive (Staphylococcus aureus) bacteria. The optical density (OD) measurement showed better bactericidal activity at higher level of Co doping in ZnO. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis, Optical and Photoluminescence Properties of Cu-Doped Zno Nano-Fibers Thin Films: Nonlinear Optics

NASA Astrophysics Data System (ADS)

Ganesh, V.; Salem, G. F.; Yahia, I. S.; Yakuphanoglu, F.

2018-03-01

Different concentrations of copper-doped zinc oxide thin films were coated on a glass substrate by sol-gel/spin-coating technique. The structural properties of pure and Cu-doped ZnO films were characterized by different techniques, i.e., atomic force microscopy (AFM), photoluminescence and UV-Vis-NIR spectroscopy. The AFM study revealed that pure and doped ZnO films are formed as nano-fibers with a granular structure. The photoluminescence spectra of these films showed a strong ultraviolet emission peak centered at 392 nm and a strong blue emission peak cantered at 450 nm. The optical band gap of the pure and copper-doped ZnO thin films calculated from optical transmission spectra (3.29-3.23 eV) were found to be increasing with increasing copper doping concentration. The refractive index dispersion curve of pure and Cu-doped ZnO film obeyed the single-oscillator model. The optical dispersion parameters such as E o , E d , and n_{∞}2 were calculated. Further, the nonlinear refractive index and nonlinear optical susceptibility were also calculated and interpreted.

Effect of pressure-assisted thermal annealing on the optical properties of ZnO thin films.

PubMed

Berger, Danielle; Kubaski, Evaldo Toniolo; Sequinel, Thiago; da Silva, Renata Martins; Tebcherani, Sergio Mazurek; Varela, José Arana

2013-01-01

ZnO thin films were prepared by the polymeric precursor method. The films were deposited on silicon substrates using the spin-coating technique, and were annealed at 330 °C for 32 h under pressure-assisted thermal annealing and under ambient pressure. Their structural and optical properties were characterized, and the phases formed were identified by X-ray diffraction. No secondary phase was detected. The ZnO thin films were also characterized by field-emission scanning electron microscopy, Fourier transform infrared spectroscopy, photoluminescence and ultraviolet emission intensity measurements. The effect of pressure on these thin films modifies the active defects that cause the recombination of deep level states located inside the band gap that emit yellow-green (575 nm) and orange (645 nm) photoluminescence. Copyright © 2012 John Wiley & Sons, Ltd.

Nanostructure CdS/ZnO heterojunction configuration for photocatalytic degradation of Methylene blue

NASA Astrophysics Data System (ADS)

Velanganni, S.; Pravinraj, S.; Immanuel, P.; Thiruneelakandan, R.

2018-04-01

In the present manuscript, thin films of Zinc Oxide (ZnO) have been deposited on a FTO substrate using a simple successive ionic layer adsorption and reaction (SILAR) and chemical bath deposition (CBD) method. Cadmium Sulphide (CdS) nanoparticles are sensitized over ZnO thin films using SILAR method. The synthesized nanostructured CdS/ZnO heterojunction thin films was characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), High resolution transmission electron microscopy (HR-TEM), X-ray photoelectron spectroscopy (XPS), UV-Vis spectroscopy and Raman spectroscopy techniques. The band gap of CdS nanoparticles over ZnO nanostructure was found to be about 3.20 eV. The photocatalytic activities of the deposited CdS/ZnO thin films were evaluated by the degradation of methylene blue (MB) in an aqueous solution under sun light irradiation.

Room temperature ferromagnetism and luminescent behavior of Ni doped ZnO nanoparticles prepared by coprecipitation method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arora, Deepawali; Mahajan, Aman; Kaur, Parvinder

2016-05-23

The samples of Zn{sub 1-x}Ni{sub x}O (x= 0.00 and 0.05) were prepared using coprecipitation method and annealed at different temperatures. The effect of Ni ion substitution on the structural and optical properties has been studied using X-ray Diffraction, UV-Visible, Photoluminescence and Magnetic measurements. XRD measurements demonstrate that all the prepared samples are wurtzite polycrystalline single phase in nature, ruling out the presence of any secondary phase formation. Ultraviolet visible measurements showed a decrease in band gap with the increase in annealing temperature and doping concentration. The PL data shows the red shift in all the samples and luminescence quenching withmore » Ni doping. Compared to undoped ZnO, Ni doped ZnO showed room temperature ferromagnetism.« less

Effect of morphology evolution on the thermoelectric properties of oxidized ZnO thin films

NASA Astrophysics Data System (ADS)

Liu, Shiying; Li, Guojian; Xiao, Lin; Jia, Baohai; Gao, Yang; Wang, Qiang

2018-04-01

The effects of nanowire content on the thermoelectric properties of ZnO films were investigated. The nanowire content of ZnO films was tuned by thermal oxidation of evaporated Zn films. The results showed that hexagonal and polyhedral morphologies on the surface of Zn films can be used to tune the nanowire content of ZnO films. Hexagonal nanoplates with a diameter of 100-350 nm readily grew ZnO nanowires with c-axis preferential orientation. Conversely, it was difficult to grow nanowires on polyhedral nanoparticles with diameters of 500-750 nm because the meeting of ZnO (101) and (001) facets suppressed nanowire growth. Thermoelectric parameters were strongly affected by nanowire content. In particular, carrier concentration increased with nanowire content. Carrier mobility also increased with nanowire content because the nanowires behaved as channels for electronic migration. The band gap of the films narrowed with increasing nanowire content because the binding energy of O 1s electrons with oxygen vacancies decreased. The maximum power factor of the film with high nanowire content (8.80 μW/m K2 at 530 K) was approximately 300% higher than that of the film with low nanowire content.

Doping induced c-axis oriented growth of transparent ZnO thin film

NASA Astrophysics Data System (ADS)

Mistry, Bhaumik V.; Joshi, U. S.

2018-04-01

c-Axis oriented In doped ZnO (IZO) transparent conducting thin films were optimized on glass substrate using sol gel spin coating method. The Indium content in ZnO was varied systematically and the structural parameters were studied. Along with the crystallographic properties, the optoelectronic and electrical properties of IZO thin films were investigated in detail. The IZO thin films revealed hexagonal wurtzite structure. It was found that In doping in ZnO promotes the c-axis oriented growth of the thin films deposited on amorphous substrate. The particle size of the IZO films were increase as doping content increases from 2% to 5%. The 2% In doped ZnO film show electrical resistivity of 0.11 Ω cm, which is far better than the reported value for ZnO thin film. Better than 75% average optical transmission was estimated in the wavelength range from 400-800 nm. Systematic variartions in the electron concentration and band gap was observed with increasing In doping. Note worthy finding is that, with suitable amount of In doping improves not only transparency and conductivity but also improves the preferred orientation of the oxide thin film.

Piezoelectric and optoelectronic properties of electrospinning hybrid PVDF and ZnO nanofibers

NASA Astrophysics Data System (ADS)

Ma, Jian; Zhang, Qian; Lin, Kabin; Zhou, Lei; Ni, Zhonghua

2018-03-01

Polyvinylidene fluoride (PVDF) is a unique ferroelectric polymer with significant promise for energy harvesting, data storage, and sensing applications. ZnO is a wide direct band gap semiconductor (3.37 eV), commonly used as ultraviolet photodetectors, nanoelectronics, photonicsand piezoelectric generators. In this study, we produced high output piezoelectric energy harvesting materials using hybrid PVDF/ZnO nanofibers deposited via electrospinning. The strong electric fields and stretching forces during the electrospinning process helps to align dipoles in the nanofiber crystal such that the nonpolar α-phase (random orientation of dipoles) is transformed into polar β-phase in produced nanofibers. The effect of the additional ZnO nanowires on the nanofiber β-phase composition and output voltage are investigated. The maximum output voltage generated by a single hybrid PVDF and ZnO nanofiber (33 wt% ZnO nanowires) is over 300% of the voltage produced by a single nanofiber made of pure PVDF. The ZnO NWs served not only as a piezoelectric material, but also as a semiconducting material. The electrical conductivity of the hybrid PVDF/ZnO nanofibers increased by more than a factor of 4 when exposed under ultraviolet (UV) light.

Constructing MnO{sub 2}/single crystalline ZnO nanorod hybrids with enhanced photocatalytic and antibacterial activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Weiwei; Liu, Tiangui, E-mail: tianguiliu@gmail.com; Cao, Shiyi

In order to improve the photocatalytic and antibacterial activity of ZnO nanorods, ZnO nanorods decorated with MnO{sub 2} nanoparticles (MnO{sub 2}/ZnO nanorod hybrids) were prepared by using microwave assisted coprecipitation method under the influence of hydrogen peroxide, and the structure, photocatalytic activity and antibacterial property of the products were studied. Experimental results indicated that MnO{sub 2} nanoparticles are decorated on the surface of single crystalline ZnO nanorods. Moreover, the resultant MnO{sub 2}/ZnO nanorod hybrids have been proven to possess good photocatalytic and antibacterial activity, which their degradated efficiency for Rhodamin B (RhB) is twice as the pure ZnO nanorods. Enhancementmore » for photocatalytic and antibacterial activity is mainly attributed to the low band gap energy and excellent electrochemical properties of MnO{sub 2} nanoparticles. - Graphical abstract: The MnO{sub 2}/single crystalline ZnO nanorods hybrids, which MnO{sub 2} nanoparticles are loaded on the surface of ZnO nanorods, were prepared by the step-by-step precipitation method under the assistance of ammonia and hydrogen peroxide. Display Omitted - Highlights: • MnO{sub 2}/ZnO nanorod hybrids were prepared by the step-by-step assembly method. • Single crystalline ZnO nanorods can be decorated by MnO{sub 2} nanoparticles. • MnO{sub 2}/ZnO nanorod hybrids possess good photocatalytic and antibacterial activity. • MnO{sub 2} can improve the photocatalytic activity of ZnO nanorods under visible light.« less

Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation

NASA Astrophysics Data System (ADS)

Hinuma, Yoyo; Kumagai, Yu; Tanaka, Isao; Oba, Fumiyasu

2017-02-01

The band alignment of prototypical semiconductors and insulators is investigated using first-principles calculations. A dielectric-dependent hybrid functional, where the nonlocal Fock exchange mixing is set at the reciprocal of the static electronic dielectric constant and the exchange correlation is otherwise treated as in the Perdew-Burke-Ernzerhof (PBE0) hybrid functional, is used as well as the Heyd-Scuseria-Ernzerhof (HSE06) hybrid and PBE semilocal functionals. In addition, these hybrid functionals are applied non-self-consistently to accelerate calculations. The systems considered include C and Si in the diamond structure, BN, AlP, AlAs, AlSb, GaP, GaAs, InP, ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe in the zinc-blende structure, MgO in the rocksalt structure, and GaN and ZnO in the wurtzite structure. Surface band positions with respect to the vacuum level, i.e., ionization potentials and electron affinities, and band offsets at selected zinc-blende heterointerfaces are evaluated as well as band gaps. The non-self-consistent approach speeds up hybrid functional calculations by an order of magnitude, while it is shown using HSE06 that the resultant band gaps and surface band positions are similar to the self-consistent results. The dielectric-dependent hybrid functional improves the band gaps and surface band positions of wide-gap systems over HSE06. The interfacial band offsets are predicted with a similar degree of precision. Overall, the performance of the dielectric-dependent hybrid functional is comparable to the G W0 approximation based on many-body perturbation theory in the prediction of band gaps and alignments for most systems. The present results demonstrate that the dielectric-dependent hybrid functional, particularly when applied non-self-consistently, is promising for applications to systematic calculations or high-throughput screening that demand both computational efficiency and sufficient accuracy.

ZnO nanoparticles and their acarbose-capped nanohybrids as inhibitors for human salivary amylase.

PubMed

Shaik, Firdoz; Kumar, Anil

2017-04-01

The authors report a controlled synthesis of biocompatible ZnO and acarbose-capped nanohybrids, and examined the inhibition activities of these nanosystems with human salivary α -amylase (HSA) activity. XRD measurements reveal ZnO present in wurtzite phase with hexagonal structure. The average size of ZnO particles for the two studied nanosystems was estimated to lie between 10 to 12 nm using Scherrer equation. These particles depict the onset of absorption at about 320 nm and the band-gap emission at about 370 nm, which are fairly blue shifted as compared with the bulk ZnO and have been understood due to the size quantisation effect. The inhibitory action of thioglycerol capped ZnO nanoparticles (SP1) and acarbose drug (used for diabetes type II) capped ZnO (SP2) for HSA was observed to 61 and72%, respectively. The inhibition activity of the SP1 alone was found to be very similar to that of acarbose and the coating of these particles with drug (SP2) demonstrated an enhancement in inhibition activity of the enzyme by about 30%. From the inhibition studies, it is confirmed that these nanosystems showed better inhibition activity at physiological temperature and pH. These nanosystems are projected to have potential applications in diabetes type II control.

Single and couple doping ZnO nanocrystals characterized by positron techniques

NASA Astrophysics Data System (ADS)

Pasang, Tenzin; Namratha, Keerthiraj; Guagliardo, Paul; Byrappa, Kullaiah; Ranganathaiah, Chikkakuntappa; Samarin, S.; Williams, J. F.

2015-04-01

Zinc oxide (ZnO) nanocrystals have been synthesized using a mild hydrothermal process using low temperatures and pressures with the advantages of free growth catalyst, low cost and alternative technology. Positron annihilation lifetime spectroscopy and coincidence Doppler broadening (CDB) spectroscopic methods have been used to investigate the roles of single- and co-dopants and native defects of the ZnO nanocrystals controlled by the synthesis process. It is shown that single Ag1+ and Pd2+ dopants occupy interstitial sites of the ZnO lattice and single Ru3+ doping replaces Zn vacancies substitutionally with a significant effect on the CDB momentum ratio curves when compared using ZnO as the reference spectrum. The co-doping of the ZnO lattice with (Sn4+ + Co2+) shows similar CDB ratios as Ru3+ single-doping. Also co-doping with (Ag1+ + Pd2+) or (Ag1+ + W6+) shows significant decreases in the band gap energy up to about 12.6% compared to single doping. The momentum ratio curves, referenced to undoped ZnO, indicate dopants in interstitial and substitutional sites. The presence of transition metal ions interstitially will trap electrons which resist the recombination of electrons and in turn affect the conductivity of the material.

Codoped direct-gap semiconductor scintillators

DOEpatents

Derenzo, Stephen Edward [Pinole, CA; Bourret-Courchesne, Edith [Berkeley, CA; Weber, Marvin J [Danville, CA; Klintenberg, Mattias K [Berkeley, CA

2008-07-29

Fast, bright inorganic scintillators at room temperature are based on radiative electron-hole recombination in direct-gap semiconductors, e.g. CdS and ZnO. The direct-gap semiconductor is codoped with two different impurity atoms to convert the semiconductor to a fast, high luminosity scintillator. The codopant scheme is based on dopant band to dopant trap recombination. One dopant provides a significant concentration of carriers of one type (electrons or holes) and the other dopant traps carriers of the other type. Examples include CdS:In,Te; CdS:In,Ag; CdS:In,Na; ZnO:Ga,P; ZnO:Ga,N; ZnO:Ga,S; and GaN:Ge,Mg.

Codoped direct-gap semiconductor scintillators

DOEpatents

Derenzo, Stephen E.; Bourret-Courchesne, Edith; Weber, Marvin J.; Klintenberg, Mattias K.

2006-05-23

Fast, bright inorganic scintillators at room temperature are based on radiative electron-hole recombination in direct-gap semiconductors, e.g. CdS and ZnO. The direct-gap semiconductor is codoped with two different impurity atoms to convert the semiconductor to a fast, high luminosity scintillator. The codopant scheme is based on dopant band to dopant trap recombination. One dopant provides a significant concentration of carriers of one type (electrons or holes) and the other dopant traps carriers of the other type. Examples include CdS:In,Te; CdS:In,Ag; CdS:In,Na; ZnO:Ga,P; ZnO:Ga,N; ZnO:Ga,S; and GaN:Ge,Mg.

Intrinsic defect oriented visible region absorption in zinc oxide films

NASA Astrophysics Data System (ADS)

Rakhesh, V.; Shankar, Balakrishnan

2018-05-01

Zinc Oxide films were deposited on the glass substrate using vacuum arc sputtering technology. Films were prepared in oxygen ambience for 10mA and 15 mA deposition current separately. The UV-Visible spectroscopy of the samples showed that both samples possess sharp absorption near 3.5eV which is the characteristic band gap absorption energy of ZnO films. The absorption coefficient were calculated for the samples and the (αℎϑ)2 vs energy plot is drawn. The plot suggested that in addition to the sharp band edge absorption, the sample prepared at 10mA deposition current showed sharp absorption edge near 1.51eV and that at 15 mA showed absorption edge near 1.47eV. This refers to the presence of an intrinsic defect level which is likely to be deep in the band gap.

Optical evidence of strong coupling between valence-band holes and d -localized spins in Zn1-xMnxO

NASA Astrophysics Data System (ADS)

Sokolov, V. I.; Druzhinin, A. V.; Gruzdev, N. B.; Dejneka, A.; Churpita, O.; Hubicka, Z.; Jastrabik, L.; Trepakov, V.

2010-04-01

We report on optical-absorption study of Zn1-xMnxO (x=0-0.06) films on fused silica substrates taking special attention to the spectral range of the fundamental absorption edge (3.1-4 eV). Well-pronounced excitonic lines observed in the region 3.40-3.45 eV were found to shift to higher energies with increasing Mn concentration. The optical band-gap energy increases with x too, reliably evidencing strong coupling between oxygen holes and localized spins of manganese ions. In the 3.1-3.3 eV region the optical-absorption curve in the manganese-contained films was found to shift to lower energies with respect to that for undoped ZnO. The additional absorption observed in this range is interpreted as a result of splitting of a localized Zhang-Rice-type state into the band gap.

Investigation of wide band gap semiconductors: Electrical, optical, and structural properties

NASA Astrophysics Data System (ADS)

Gong, Yinyan

Wide band gap semiconductors are important for many device applications, particularly for lasers and light emitting diodes. In this thesis, we studied (1) the enhancement, by thermal annealing, of p-type doping in Mg-doped GaN grown by metal-organic chemical vapor deposition (MOCVD), (2) the formation of type-II ZnTe quantum dots (QDs) in Zn-Se-Te multilayers with submonolayer insertion of ZnTe, as well as the mechanism of the increase of acceptor incorporation in such samples, (3) optical properties of colloidal-synthesized ZnO nanocrystals. For GaN:Mg grown by MOCVD, it is found that atomic hydrogen, generated during growth, acts as a compensating donor and thus increases the solubility of the acceptor dopant; subsequent to the growth, H can be easily removed and leaves Mg in excess of its equilibrium solubility. For Zn-Se-Te multilayers with submonolayer insertions of ZnTe, it is found that type-II ZnTe QDs are formed even with only one deposition cycle of submonolayer ZnTe. However, the density of QDs in this case is lower than for samples with three consecutive deposition cycles of ZnTe. Moreover, for Zn-Te-Se multilayers where N is deposited together with Te, it is found that N (acceptor dopant) is embedded in ZnTe-rich nanoislands, a material readily doped p-type. We note that only minimal amounts of Te are incorporated in the overall epitaxial film; thus the overall energy gap remains close to that of pure ZnSe. Finally, we studied the optical properties of collidal-synthesized nanocrystals of ZnO, a material of great interest because of its large energy gap (˜3.36 eV at room temperature (RT)) together with a high exciton binding energy (˜60 meV at RT). The photoluminescence (PL) of all our samples consists of a dominant near-band-edge UV emission and a weak broad green emission. The origin of the observed green emission is investigated, and attributed to oxygen vacancies near the surface. A simple model for the recombination process, involving free holes and oxygen vacancies, is proposed. Also the size of the ZnO spherical nanoparticles is estimated from the peak position of the green PL. The results are in good agreement with those from TEM measurements.

Structural, magnetic and optical properties of ZnO nanostructures converted from ZnS nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, Prayas Chandra; Ghosh, Surajit; Srivastava, P.C., E-mail: pcsrivastava50@gmail.com

Graphical abstract: The phase conversion of ZnS to highly crystalline hexagonal ZnO was done by heat treatment. - Highlights: • Phase change of cubic ZnS to hexagonal ZnO via heat treatment. • Band gap was found to decrease with increasing calcinations temperature. • ZnO samples have higher magnetic moment than ZnS. • Blocking Temperature of the samples is well above room temperature. • Maximum negative%MR with saturation value ∼38% was found for sample calcined at 600° C. - Abstract: The present work concentrates on the synthesis of cubic ZnS and hexagonal ZnO semiconducting nanoparticle from same precursor via co-precipitation method.more » The phase conversion of ZnS to highly crystalline hexagonal ZnO was done by heat treatment. From the analysis of influence of calcination temperature on the structural, optical and vibrational properties of the samples, an optimum temperature was found for the total conversion of ZnS nanoparticles to ZnO. Role of quantum confinement due to finite size is evident from the blue shift of the fundamental absorption in UV–vis spectra only in the ZnS nanoparticles. The semiconducting nature of the prepared samples is confirmed from the UV–vis, PL study and transport study. From the magnetic and transport studies, pure ZnO phase was found to be more prone to magnetic field.« less

Morphological tuned preparation of zinc oxide: reduced graphene oxide composites for non-enzymatic fluorescence glucose sensing and enhanced photocatalysis

NASA Astrophysics Data System (ADS)

Sivalingam, Muthu Mariappan; Balasubramanian, Karthikeyan

2016-07-01

Zinc oxide: reduced graphene oxide (ZnO:rgo) composites with varying ZnO morphologies have been synthesized towards the application of non-enzymatic fluorescence (FL) glucose sensor and photocatalysis for methylene blue (MB) degradation. The phase structure of ZnO has confirmed by X-ray diffraction studies, and the band gap calculations were done by UV absorption spectra. Scanning electron microscope and Raman spectra revealed the morphological change and the vibrational studies of the prepared samples, respectively. The quenching of the FL emission band of ZnO:rgo composite sample confirmed the transfer of electrons from ZnO to rgo which inhibit the exciton recombination process. The non-enzymatic FL glucose sensing was carried out by the addition of dextrose glucose ( d-glucose) into the ZnO:rgo composite solution, which shows strong relationship between glucose concentration and the FL intensity. The photocatalytic studies showed that composite with high surface to volume ratio exhibits a maximum degradation of MB over 93 %. Our combined results ensured that the ZnO:rgo composites with varying morphologies could be an effective system for applications such as FL-based glucose sensing and photocatalytic degradation.

Nano-engineering of p-n CuFeO2-ZnO heterojunction photoanode with improved light absorption and charge collection for photoelectrochemical water oxidation

NASA Astrophysics Data System (ADS)

Karmakar, Keshab; Sarkar, Ayan; Mandal, Kalyan; Gopal Khan, Gobinda

2017-08-01

The effective utilization of abundant visible solar light for photoelectrochemical water splitting is a green approach for energy harvesting, to reduce the enormous rise of carbon content in the atmosphere. Here, a novel efficient design strategy for p-n type nano-heterojunction photoanodes is demonstrated, with the goal of improving water splitting efficiency by growing low band gap p-CuFeO2 nanolayers on n-ZnO nanorods by an easy and scalable electrochemical route. The photoconversion efficiency of p-n CuFeO2/ZnO photoanodes is found to be ˜450% higher than that of pristine ZnO nanorod electrodes under visible solar light illumination (λ > 420 nm, intensity 10 mW cm-2). The p-n CuFeO2/ZnO nano-engineering not only boosts the visible light absorption but also resolves limitations regarding effective charge carrier separation and transportation due to interfacial band alignment. This photoanode also shows remarkably enhanced stability, where the formation of p-n nano-heterojunction enhances the easy migration of holes to the electrode/electrolyte interface, and of electrons to the counter electrode (Pt) for hydrogen generation. Therefore, this work demonstrates that p-n nano-engineering is a potential strategy to design light-harvesting electrodes for water splitting and clean energy generation.

Optical study of gamma irradiated sodium metaphosphate glasses containing divalent metal oxide MO (ZnO or CdO)

NASA Astrophysics Data System (ADS)

Nabhan, E.; Abd-Allah, W. M.; Ezz-El-Din, F. M.

Sodium metaphosphate glasses containing divalent metal oxide, ZnO or CdO with composition 50 P2O5 - (50 - x) Na2O - x MO (ZnO, or CdO) where x = 0, 10, 20 (mol%) were prepared by conventional melt method. UV/visible spectroscopy and FTIR spectroscopy are measured before and after exposing to successive gamma irradiation doses (5-80 kGy). The optical absorption spectra results of the samples before irradiation reveal a strong UV absorption band at (∼230 nm) which is related to unavoided iron impurities. The effects of gamma irradiation on the optical spectral properties of the various glasses have been compared. From the optical absorption spectral data, the optical band gap is evaluated. The main structural groups and the influence of both divalent metal oxide and gamma irradiation effect on the structural vibrational groups are realized through IR spectroscopy. The FTIR spectra of γ-irradiated samples are characterized by the stability of the number and position for the main characteristic band of phosphate groups. To better understood the structural changes during γ-irradiation, a deconvolution of FTIR spectra in the range 650-1450 cm-1 is made. The FTIR deconvolution results found evidence that, the changes occurring after gamma irradiation have been related to irradiation induced structural defects and compositional changes.

Synthesis of stable ZnO nanocolloids with enhanced optical limiting properties via simple solution method

NASA Astrophysics Data System (ADS)

Ramya, M.; Nideep, T. K.; Vijesh, K. R.; Nampoori, V. P. N.; Kailasnath, M.

2018-07-01

In present work, we report the synthesis of stable ZnO nanocolloids through a simple solution method which exhibit enhanced optical limiting threshold. The influences of reaction temperature on the crystal structure as well as linear and nonlinear optical properties of prepared ZnO nanoparticles were carried out. The XRD and Raman analysis reveal that the prepared ZnO nanoparticles retain the hexagonal wurtzite crystal structure. HRTEM analysis confirms the effect of reaction temperature, solvent effect on crystallinity as well as nanostructure of ZnO nanoparticles. It has been found that crystallinity and average diameter increase with reaction temperature where ethylene glycol act as both solvent and growth inhibiter. EDS spectra shows formation of pure ZnO nanoparticles. The direct energy band gap of the nanoparticles increases with decrease in particle size due to quantum confinement effect. The third order nonlinear optical properties of ZnO nanoparticles were investigated by z scan technique using a frequency doubled Nd-YAG nanosecond laser at 532 nm wavelength. The z-scan result reveals that the prepared ZnO nanoparticles exhibit self - defocusing nonlinearity. The two photon absorption coefficient and third - order nonlinear optical susceptibility increases with increasing particle size. The third-order susceptibility of the ZnO nanoparticles is found to be in the order of 10-10 esu, which is at least three order magnitude greater than the bulk ZnO. The optical limiting threshold of the nanoparticles varies in the range of 54 to 17 MW/cm2. The results suggest that ZnO nanoparticles considered as a promising candidates for the future photonic devices.

A simulation study to improve the efficiency of ZnO1-xSx/Cu2ZnSn (Sy, Se1-y)4 solar cells by composition-ratio control

NASA Astrophysics Data System (ADS)

Sharbati, S.; Norouzzadeh, E.; Mohammadi, S.

2018-04-01

This work investigates the impact of the conduction-band offset (CBO) and valence band offset (VBO) on the performance of Zn (O, S)/Cu2ZnSn (S, Se)4 solar cells by numerical simulations. The band gap alignment at the buffer-CZTS layer interface are controlled by the sulfur-to-oxygen and sulfur-to-selenium ratios. The simulation results show that the high sulfur content in the Zn (O, S) layer makes a big offset in the conduction band and high oxygen content in the in the Zn (O, S) layer eventuates in large valence band offset, that descends Cu2ZnSn (S, Se)4 solar cell performance. We established an initial device model based on an experimental device with world record efficiencies of 12.6%. This study shows that most suitable heterojunction for ZnO1-xSx/Cu2ZnSn (Sy, Se1-y)4 solar cells is when sulfur content ranging 19%-50% in the Zn (O, S) and 30%-50% in the CZTSSe. The efficiency of Cu2ZnSn (S, Se)4 solar cells will be achieved to 14.3%.

Effect of copper doping sol-gel ZnO thin films: physical properties and sensitivity to ethanol vapor

NASA Astrophysics Data System (ADS)

Boukaous, Chahra; Benhaoua, Boubaker; Telia, Azzedine; Ghanem, Salah

2017-10-01

In the present paper, the effect of copper doping ZnO thin films, deposited using a sol-gel dip-coating technique, on the structural, optical and ethanol vapor-sensing properties, was investigated. The range of the doping content is 0 wt. %-5 wt. % Cu/Zn and the films’ properties were studied using x-ray diffraction, scanning electron microscopy and a UV-vis spectrophotometer. The obtained results indicated that undoped and copper-doped zinc oxide thin films have polycrystalline wurtzite structure with (1 0 1) preferred orientation. All samples have a smooth and dense structure free of pinholes. A decrease in the band gap with Cu concentration in the ZnO network was observed. The influence of the dopant on ethanol vapor-sensing properties shows an increase in the film sensitivity to the ethanol vapor within the Cu concentration.

Reduction in the Band Gap of Manganese-Doped Zinc Oxide: Role of the Oxidation State

NASA Astrophysics Data System (ADS)

Sharma, Sonia; Ramesh, Pranith; Swaminathan, P.

2015-12-01

Manganese-doped zinc oxide powders were synthesized by solid state reaction of the respective oxides. The high-temperature conditions were chosen such that multiple valence states of manganese were doped in the host zinc oxide lattice. Structural characterization was carried out to confirm the doping and to find the maximum amount of manganese that can be incorporated. Diffuse reflectance spectroscopy was used to measure the optical band gap of the doped sample and the lowering with respect to pure ZnO was attributed to the presence of higher oxidation states of manganese. The presence of these oxidation states was confirmed using x-ray photoelectron spectroscopy. The study shows that a solid state reaction is a viable route for synthesizing doped metal oxides with desired optical properties.

Measurement of laser activated electron tunneling from semiconductor zinc oxide to adsorbed organic molecules by a matrix assisted laser desorption ionization mass spectrometer.

PubMed

Zhong, Hongying; Fu, Jieying; Wang, Xiaoli; Zheng, Shi

2012-06-04

Measurement of light induced heterogeneous electron transfer is important for understanding of fundamental processes involved in chemistry, physics and biology, which is still challenging by current techniques. Laser activated electron tunneling (LAET) from semiconductor metal oxides was observed and characterized by a MALDI (matrix assisted laser desorption ionization) mass spectrometer in this work. Nanoparticles of ZnO were placed on a MALDI sample plate. Free fatty acids and derivatives were used as models of organic compounds and directly deposited on the surface of ZnO nanoparticles. Irradiation of UV laser (λ=355 nm) with energy more than the band gap of ZnO produces ions that can be detected in negative mode. When TiO(2) nanoparticles with similar band gap but much lower electron mobility were used, these ions were not observed unless the voltage on the sample plate was increased. The experimental results indicate that laser induced electron tunneling is dependent on the electron mobility and the strength of the electric field. Capture of low energy electrons by charge-deficient atoms of adsorbed organic molecules causes unpaired electron-directed cleavages of chemical bonds in a nonergodic pathway. In positive detection mode, electron tunneling cannot be observed due to the reverse moving direction of electrons. It should be able to expect that laser desorption ionization mass spectrometry is a new technique capable of probing the dynamics of electron tunneling. LAET offers advantages as a new ionization dissociation method for mass spectrometry. Copyright © 2012 Elsevier B.V. All rights reserved.

Origin of luminescence from ZnO/CdS core/shell nanowire arrays

NASA Astrophysics Data System (ADS)

Wang, Zhiqiang; Wang, Jian; Sham, Tsun-Kong; Yang, Shaoguang

2014-07-01

Chemical imaging, electronic structure and optical properties of ZnO/CdS nano-composites have been investigated using scanning transmission X-ray microscopy (STXM), X-ray absorption near-edge structure (XANES) and X-ray excited optical luminescence (XEOL) spectroscopy. STXM and XANES results confirm that the as-prepared product is ZnO/CdS core/shell nanowires (NWs), and further indicate that ZnS was formed on the surface of ZnO NWs as the interface between ZnO and CdS. The XEOL from ZnO/CdS NW arrays exhibits one weak ultraviolet (UV) emission at 375 nm, one strong green emission at 512 nm, and two broad infrared (IR) emissions at 750 and 900 nm. Combining XANES and XEOL, it is concluded that the UV luminescence is the near band gap emission (BGE) of ZnO; the green luminescence comes from both the BGE of CdS and defect emission (DE, zinc vacancies) of ZnO; the IR luminescence is attributed to the DE (bulk defect related to the S site) of CdS; ZnS contributes little to the luminescence of the ZnO/CdS NW arrays. Interestingly, the BGE and DE from oxygen vacancies of ZnO in the ZnO/CdS nano-composites are almost entirely quenched, while DE from zinc vacancies changes little.Chemical imaging, electronic structure and optical properties of ZnO/CdS nano-composites have been investigated using scanning transmission X-ray microscopy (STXM), X-ray absorption near-edge structure (XANES) and X-ray excited optical luminescence (XEOL) spectroscopy. STXM and XANES results confirm that the as-prepared product is ZnO/CdS core/shell nanowires (NWs), and further indicate that ZnS was formed on the surface of ZnO NWs as the interface between ZnO and CdS. The XEOL from ZnO/CdS NW arrays exhibits one weak ultraviolet (UV) emission at 375 nm, one strong green emission at 512 nm, and two broad infrared (IR) emissions at 750 and 900 nm. Combining XANES and XEOL, it is concluded that the UV luminescence is the near band gap emission (BGE) of ZnO; the green luminescence comes from both the BGE of CdS and defect emission (DE, zinc vacancies) of ZnO; the IR luminescence is attributed to the DE (bulk defect related to the S site) of CdS; ZnS contributes little to the luminescence of the ZnO/CdS NW arrays. Interestingly, the BGE and DE from oxygen vacancies of ZnO in the ZnO/CdS nano-composites are almost entirely quenched, while DE from zinc vacancies changes little. Electronic supplementary information (ESI) available: PL spectra of the ZnO NW arrays before/after CdS coating. S K-edge XANES spectra of the ZnO/CdS core/shell NW arrays. See DOI: 10.1039/c4nr02231a

Nano/microstructure and optical properties of ZnO particles precipitated from zinc acetylacetonate

NASA Astrophysics Data System (ADS)

Petrović, Željka; Ristić, Mira; Musić, Svetozar; Fabián, Martin

2015-06-01

The influence of experimental conditions on the nano/microstructure and optical properties of ZnO particles produced by rapid hydrolysis of zinc acetylacetonate, followed by aging of the precipitation system at 160 °C, was investigated. Samples were characterized by XRD, FE scanning electron microscopy (FE-SEM), FT-IR, UV/Vis/NIR and photoluminescence (PL) spectroscopies. XRD patterns of all samples were assigned to the hexagonal ZnO phase (wurtzite-type), as well as the corresponding FT-IR spectra. FE-SEM inspection showed a high dependence of the ZnO nano/microstructure on the chemical composition of the reaction mixture and autoclaving time after the rapid hydrolysis of zinc acetylacetonate. Microstructural differences were noticed between C2H5OH/H2O and H2O media, as well as under the influence of NH4OH addition. Measurements of nanocrystallite sizes showed no significant preferential orientation in the (1 0 0) and (0 0 2) directions relative to the (1 0 1) and (1 1 0) directions. Somewhat smaller crystallite sizes were noticed for ZnO samples synthesized by adding the NH4OH solution. Dissolution/recrystallization of ZnO particles played an important role in the formation of different ZnO nano/microstructures. The band gap values for prepared ZnO samples were calculated on the basis of recorded UV/Vis spectra. PL spectra were recorded for ZnO samples in powder form and their suspensions in pure ethanol. Noticed differences are discussed.

Role of defects in one-step synthesis of Cu-doped ZnO nano-coatings by electrodeposition method with enhanced magnetic and electrical properties

NASA Astrophysics Data System (ADS)

Niranjan, K.; Dutta, Subhajit; Varghese, Soney; Ray, Ajoy Kumar; Barshilia, Harish C.

2017-04-01

We report the growth of flower-like ferromagnetic Cu-doped ZnO (CZO) nanostructures using electrochemical deposition on FTO-coated glass substrates. X-ray photoelectron spectroscopy studies affirmed the presence of Cu in ZnO with an oxidation state of 2+. In order to find the optimized dopant concentration, different Cu dopant concentrations of 0.28, 0.30, 0.32, 0.35, 0.38, and 0.40 mM are applied and their magnetic, optical, and electrical properties are studied. Magnetic moment increased with the increasing dopant concentration up to 0.35 mM and then decreased with further increase in the concentration. Diamagnetic pure ZnO showed ferromagnetic nature even with a low doping concentration of 0.28 mM. Band gap increased with the increasing Cu concentration until a value of 0.35 mM and then remained the same for the higher dopant concentrations. It is ascribed to the Burstein-Moss effect. Defect-related broad photoluminescence (PL) peak is observed for the pure ZnO in the visible range. In contrast, Cu-doped samples showed a sharp and intense PL peak at 426 nm due to increased Zn interstitials. Kelvin probe measurements revealed that the Fermi level shifts toward the conduction band for the Cu-doped samples with respect to pure material. Electron transport mechanism in the samples is observed to be dominated by space charge-limited current and Schottky behavior with improved ideality factor up to 0.38 mM Cu.

Inhibition of Photocatalytic Activity of Basic Blue-41 by ZnO Modified Surface with Amino Silane

NASA Astrophysics Data System (ADS)

Limsapapkasiphon, S.; Sirisaksoontorn, W.; Songsasen, A.

2018-03-01

The reduction of the photo catalytic efficiency of ZnO can be achieved by modifying its surface with amino silane, which synthesized through condensation reaction under basic condition. The pH of solution was varied from 8 to 14 during the synthesis and was found that pH 12 was the most suitable pH for the preparation. All of ZMAS were characterized by Elemental Analysis which showed the highest percentage of nitrogen at 3.1064% and IR technique which indicated the Si-O-Zn bond at about 1000 cm-1. The photodegradation property of ZMAS prepared at pH 8-12 toward basic blue 41 was retarded when compared with the unmodified ZnO. Effect of mole ratio of ZnO:APTES (1:0.1, 1:0.5, 1:1, and 1:2) in the preparation of ZMAS was investigated. The photodegration activity of ZMAS prepared at mole ratio of ZnO:APTES as 1:0.5 to 1:2 toward basic blue 41 was retarded when compared with the unmodified ZnO. The coating of amino silane on ZnO surface did not have much effect on the band gap energy of modified ZnO. The absorption edge of ZMAS was only slightly shifted from 392 to 397 nm.

Persistent photoconductivity in ZnO nanowires: Influence of oxygen and argon ambient

NASA Astrophysics Data System (ADS)

Madel, M.; Huber, F.; Mueller, R.; Amann, B.; Dickel, M.; Xie, Y.; Thonke, K.

2017-03-01

ZnO nanowires typically show persistent photoconductivity (PPC), which depends in their temporal behaviour on the ambient. We investigate ZnO nanowires in oxygen and argon ambient and analyze the PPC both on the short and on the long time scale to sort out the underlying mechanisms. Wavelength dependent excitation shows the energy barrier for the PPC to be around 150 meV below the band gap of ZnO, independent of the ambient atmosphere. In photocurrent measurements at constant wavelength, a log-logistic dependence of the conductivity on the partial oxygen pressure is observed. The experimental results are compared to a model of Bonasewicz et al. [J. Electrochem. Soc. 133, 2270 (1986)] and can be explained by oxygen adsorption processes occurring on the surface of the ZnO nanowires. From temperature dependent measurements of the decay times in oxygen and argon ambient, the related activation energies for the fast and slow decay processes are determined. Comparing our results to theoretical calculations of energy levels of intrinsic defects [Janotti and Van de Walle, Phys. Status Solidi B 248, 799 (2011)], we find oxygen vacancies to be related to the fast decay processes, whereas adsorption and desorption processes of oxygen on the ZnO nanowire surface account for the slow part.

Variation of microstructural and optical properties in SILAR grown ZnO thin films by thermal treatment.

PubMed

Valanarasu, S; Dhanasekaran, V; Chandramohan, R; Kulandaisamy, I; Sakthivelu, A; Mahalingam, T

2013-08-01

The influence of thermal treatment on the structural and morphological properties of the ZnO films deposited by double dip Successive ionic layer by adsorption reaction is presented. The effect of annealing temperature and time in air ambient is presented in detail. The deposited films were annealed from 200 to 400 degrees C in air and the structural properties were determined as a function of annealing temperature by XRD. The studies revealed that films were exhibiting preferential orientation along (002) plane. The other structural parameters like the crystallite size (D), micro strain (epsilon), dislocation density (delta) and stacking fault (alpha) of as-deposited and annealed ZnO films were evaluated and reported. The optical properties were also studied and the band gap of the ZnO thins films varied from 3.27 to 3.04 eV with the annealing temperature. SEM studies revealed that the hexagonal shaped grains with uniformly distributed morphology in annealed ZnO thin films. It has been envisaged using EDX analysis that the near stoichiometric composition of the film can be attained by thermal treatment during which microstructural changes do occur.

Synergistic effect of indium and gallium co-doping on the properties of RF sputtered ZnO thin films

NASA Astrophysics Data System (ADS)

Shaheera, M.; Girija, K. G.; Kaur, Manmeet; Geetha, V.; Debnath, A. K.; Karri, Malvika; Thota, Manoj Kumar; Vatsa, R. K.; Muthe, K. P.; Gadkari, S. C.

2018-04-01

ZnO thin films were synthesized using RF magnetron sputtering, with simultaneous incorporation of Indium (In) and Gallium (Ga). The structural, optical, chemical composition and surface morphology of the pure and co-doped (IGZO) thin films were characterized by X-Ray diffraction (XRD), UV-visible spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), and Raman spectroscopy. XRD revealed that these films were oriented along c-axis with hexagonal wurtzite structure. The (002) diffraction peak in the co-doped sample was observed at 33.76° with a slight shift towards lower 2θ values as compared to pure ZnO. The surface morphology of the two thin films was observed to differ. For pure ZnO films, round grains were observed and for IGZO thin films round as well as rod type grains were observed. All thin films synthesized show excellent optical properties with more than 90% transmission in the visible region and band gap of the films is observed to decrease with co-doping. The co doping of In and Ga is therefore expected to provide a broad range optical and physical properties of ZnO thin films for a variety of optoelectronic applications.

Shallow doping effect of ZnO treatment using atomic layer deposition process on p-type In0.53Ga0.47As

NASA Astrophysics Data System (ADS)

Lee, Changmin; An, Youngseo; Choi, Sungho; Kim, Hyoungsub

2018-06-01

The number of atomic layer deposition (ALD) cycles for ZnO treatment was changed to study its merits and demerits as a passivation layer prior to the deposition of a HfO2 film on a p-type In0.53Ga0.47As substrate. Even a few cycles of ZnO ALD treatment was effective in improving the capacitance–voltage (C–V) characteristics by suppressing strong Fermi-level pinning, which occurred because of a high interface state density near the lower half of the In0.53Ga0.47As band gap. Increases in the number of ZnO ALD cycles induced an increase in the minimum capacitance and response of minority carriers at higher frequencies in the inversion region of the C–V characteristics. According to various temperature- and frequency-dependent C–V analyses, these changes were explained by the shallow p-type doping effect of Zn atoms in the In0.53Ga0.47As substrate. As a disadvantage, ZnO ALD treatment caused a slight increase in the dielectric leakage current.

Optical characterization of pure and Al-doped ZnO prepared by sol-gel method

NASA Astrophysics Data System (ADS)

Belka, Radosław; Keczkowska, Justyna; Kasińska, Justyna

2016-09-01

In this paper the preparation process and optical characterization of pure and Al3+ doped zinc oxide (Al:ZnO) coatings will be presented. ZnO based materials have been studied extensively due to their potential applications in optoelectronic devices as conductive gas sensors, transparent conductive, electrodes, solar cell windows, varistors, UVfilters or photovoltaic cells. It is II-VI semiconductor with wide-band gap of 3.37 eV and large exciton binding energy of 60meV. It is possible to improve the conductivity of ZnO coating by intentionally doping ZnO with aluminium ions during preparation process. Such transparent and conducting thin films, known as AZO (Aluminium Zinc Oxide) films, are very good candidate for application as transparent conducting materials in many optoelectronic devices. The well-known sol-gel method is used for preparation of solution, coated on glass substrates by dip coating process. Prepared samples were investigated by Raman and UV-VIS spectroscopy. Transmittance as well as specular and diffuse reflectance spectroscopy methods were used for studies of optical parameters. We found that Al admixture influences on optical bandgap of ZnO.

Structural, Electrical and Optical Properties of Cd Doped ZnO Thin Films by Reactive dc Magnetron Sputtering

NASA Astrophysics Data System (ADS)

Kumar, A. Guru Sampath; Obulapathi, L.; Sarmash, T. Sofi; Rani, D. Jhansi; Maddaiah, M.; Rao, T. Subba; Asokan, K.

2015-04-01

Thin films of cadmium (Cd) (0 wt.%, 2 wt.%, 4 wt.% and 10 wt.%) doped zinc oxide (ZnO) have been deposited on a glass substrate by reactive DC magnetron sputtering. The synthesized films are characterized by glancing angle x-ray diffraction (GAXRD), UV-Vis-NIR spectroscopy, four probe resistivity measurement, Hall measurement system, field emission-scanning electron microscopy and energy dispersive analysis by x-rays. A systematic study has been made on the structure, electrical and optical properties of Cd doped ZnO thin films as a function of Cd concentration (0 wt.%, 2 wt.%, 4 wt.% and 10 wt.%). All these films have a hexagonal wurtzite ZnO structure with (0 0 2) orientation without any Cd related phase from the GAXRD patterns. The grain size was increased and maximum appears at 4 wt.% Cd concentration. The electrical resistivity of the films decreased with the Cd doping and minimum resistivity was observed at 4 wt.% Cd concentration. UV-Vis-NIR studies showed that the optical band gap of ZnO (3.37 eV) was reduced to 3.10 eV which is at 4 wt.% Cd concentration.

Fabrication of Semiconductor ZnO Nanostructures for Versatile SERS Application

PubMed Central

Yang, Lili; Yang, Yong; Ma, Yunfeng; Li, Shuai; Wei, Yuquan; Huang, Zhengren; Long, Nguyen Viet

2017-01-01

Since the initial discovery of surface-enhanced Raman scattering (SERS) in the 1970s, it has exhibited a huge potential application in many fields due to its outstanding advantages. Since the ultra-sensitive noble metallic nanostructures have increasingly exposed themselves as having some problems during application, semiconductors have been gradually exploited as one of the critical SERS substrate materials due to their distinctive advantages when compared with noble metals. ZnO is one of the most representative metallic oxide semiconductors with an abundant reserve, various and cost-effective fabrication techniques, as well as special physical and chemical properties. Thanks to the varied morphologies, size-dependent exciton, good chemical stability, a tunable band gap, carrier concentration, and stoichiometry, ZnO nanostructures have the potential to be exploited as SERS substrates. Moreover, other distinctive properties possessed by ZnO such as biocompatibility, photocatcalysis and self-cleaning, and gas- and chemo-sensitivity can be synergistically integrated and exerted with SERS activity to realize the multifunctional potential of ZnO substrates. In this review, we discuss the inevitable development trend of exploiting the potential semiconductor ZnO as a SERS substrate. After clarifying the root cause of the great disparity between the enhancement factor (EF) of noble metals and that of ZnO nanostructures, two specific methods are put forward to improve the SERS activity of ZnO, namely: elemental doping and combination of ZnO with noble metals. Then, we introduce a distinctive advantage of ZnO as SERS substrate and illustrate the necessity of reporting a meaningful average EF. We also summarize some fabrication methods for ZnO nanostructures with varied dimensions (0–3 dimensions). Finally, we present an overview of ZnO nanostructures for the versatile SERS application. PMID:29156600

Bio-inspired band gap engineering of zinc oxide by intracrystalline incorporation of amino acids.

PubMed

Brif, Anastasia; Ankonina, Guy; Drathen, Christina; Pokroy, Boaz

2014-01-22

Bandgap engineering of zinc oxide semiconductors can be achieved using a bio-inspired method. During a bioInspired crystallization process, incorporation of amino acids into the crystal structure of ZnO induces lattice strain that leads to linear bandgap shifts. This allows for fine tuning of the bandgap in a bio-inspired route. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Graphene oxide-zinc oxide nanocomposite as channel layer for field effect transistors: effect of ZnO loading on field effect transport.

PubMed

Jilani, S Mahaboob; Banerji, Pallab

2014-10-08

The effects of ZnO on graphene oxide (GO)-ZnO nanocomposites are investigated to tune the conductivity in GO under field effect regime. Zinc oxides with different concentrations from 5 wt % to 25 wt % are used in a GO matrix to increase the conductivity in the composite. Six sets of field effect transistors with pristine GO and GO-ZnO as the channel layer at varying ZnO concentrations were fabricated. From the transfer characteristics, it is observed that GO exhibited an insulating behavior and the transistors with low ZnO (5 wt %) concentration initially showed p-type conductivity that changes to n-type with increases in ZnO loading. This n-type dominance in conductivity is a consequence of the transfer of electrons from ZnO to the GO matrix. From X-ray photoelectron spectroscopic measurements, it is observed that the progressive reduction in the C-OH oxygen group took place with increases in ZnO loading. Thus, from insulating GO to p- and then n-type, conductivity in GO could be achieved with reduction in the C-OH oxygen group by photocatalytic reduction of GO with varying degrees of ZnO. The restoration of sp(2) electron network in the GO matrix with the anchoring of ZnO nanostructures was observed from Raman spectra. From UV-visible spectra, the band gap in pristine GO was found to be 3.98 eV and reduced to 2.8 eV with increase in ZnO attachment.

Structural, morphological, optical and biological properties of pure ZnO and agar/zinc oxide nanocomposites.

PubMed

Magesh, G; Bhoopathi, G; Nithya, N; Arun, A P; Ranjith Kumar, E

2018-05-26

In this work, ZnO nanoparticles were prepared by in situ chemical precipitation method in the presence of Agar biopolymer. The influence of Agar concentrations on the structural, morphological and optical properties of ZnO have been investigated. The XRD pattern of Pure ZnO and Agar/ZnO nanocomposites indicates the hexagonal wurtzite phase of ZnO. The crystallite size of pure ZnO and Agar/ZnO nanocomposites was found to be in the range of 35.5 to 19.73 nm. Pure ZnO and Agar/ZnO nanocomposites showed nanospheroid and nanopaddy shaped morphology from FESEM studies. The interplanar distance observed from the HRTEM image confirms the plane of the prepared material. The elemental composition of the samples were characterized by EDX. The optical properties of Pure ZnO and Agar/ZnO nanocomposites were characterized by UV, FTIR and PL. The band gap of Agar/ZnO nanocomposites were varied with the Agar concentration. Oxygen vacancy induced photoluminescence of ZnO are observed and its intensity is found to be increased linearly with the Agar concentration. The antibacterial activity of ZnO and Agar/ZnO nanocomposites was evaluated by disc diffusion method against Gram-positive (B.subtilis) and Gram-negative (P. aeruginosa) bacteria. The cytotoxicity of Agar/ZnO nanocomposites was studied against Normal (L929) and Breast cancer cell line (MB231). The result of this investigation reveals that the Agar/ZnO nanocomposites deliver a dose dependent toxicity in normal and cancer cell line. Copyright © 2018. Published by Elsevier B.V.

Overall water splitting on (Ga(1-x)Zn(x))(N(1-x)O(x)) solid solution photocatalyst: relationship between physical properties and photocatalytic activity.

PubMed

Maeda, Kazuhiko; Teramura, Kentaro; Takata, Tsuyoshi; Hara, Michikazu; Saito, Nobuo; Toda, Kenji; Inoue, Yasunobu; Kobayashi, Hisayoshi; Domen, Kazunari

2005-11-03

The physical and photocatalytic properties of a novel solid solution between GaN and ZnO, (Ga(1-x)Zn(x))(N(1-x)O(x)), are investigated. Nitridation of a mixture of Ga(2)O(3) and ZnO at 1123 K for 5-30 h under NH(3) flow results in the formation of a (Ga(1-x)Zn(x))(N(1-x)O(x)) solid solution with x = 0.05-0.22. With increasing nitridation time, the zinc and oxygen concentrations decrease due to reduction of ZnO and volatilization of zinc, and the crystallinity and band gap energy of the product increase. The highest activity for overall water splitting is obtained for (Ga(1-x)Zn(x))(N(1-x)O(x)) with x = 0.12 after nitridation for 15 h. The crystallinity of the catalyst is also found to increase with increasing the ratio of ZnO to Ga(2)O(3) in the starting material, resulting in an increase in activity.

Influence of Sn doping on structural, optical and electrical properties of ZnO thin films prepared by cost effective sol-gel process.

PubMed

Vishwas, M; Narasimha Rao, K; Arjuna Gowda, K V; Chakradhar, R P S

2012-09-01

Tin (Sn) doped zinc oxide (ZnO) thin films were synthesized by sol-gel spin coating method using zinc acetate di-hydrate and tin chloride di-hydrate as the precursor materials. The films were deposited on glass and silicon substrates and annealed at different temperatures in air ambient. The agglomeration of grains was observed by the addition of Sn in ZnO film with an average grain size of 60 nm. The optical properties of the films were studied using UV-VIS-NIR spectrophotometer. The optical band gap energies were estimated at different concentrations of Sn. The MOS capacitors were fabricated using Sn doped ZnO films. The capacitance-voltage (C-V), dissipation vs. voltage (D-V) and current-voltage (I-V) characteristics were studied and the electrical resistivity and dielectric constant were estimated. The porosity and surface area of the films were increased with the doping of Sn which makes these films suitable for opto-electronic applications. Copyright © 2012 Elsevier B.V. All rights reserved.

GaN and ZnO nanostructures

NASA Astrophysics Data System (ADS)

Fündling, Sönke; Sökmen, Ünsal; Behrends, Arne; Al-Suleiman, Mohamed Aid Mansur; Merzsch, Stephan; Li, Shunfeng; Bakin, Andrey; Wehmann, Hergo-Heinrich; Waag, Andreas; Lähnemann, Jonas; Jahn, Uwe; Trampert, Achim; Riechert, Henning

2010-07-01

GaN and ZnO are both wide band gap semiconductors with interesting properties concerning optoelectronic and sensor device applications. Due to the lack or the high costs of native substrates, alternatives like sapphire, silicon, or silicon carbide are taken, but the resulting lattice and thermal mismatches lead to increased defect densities which reduce the material quality. In contrast, nanostructures with high aspect ratio have lower defect densities as compared to layers. In this work, we give an overview on our results achieved on both ZnO as well as GaN based nanorods. ZnO nanostructures were grown by a wet chemical approach as well as by VPT on different substrates - even on flexible polymers. To compare the growth results we analyzed the structures by XRD and PL and show possible device applications. The GaN nano- and microstructures were grown by metal organic vapor phase epitaxy either in a self- organized process or by selective area growth for a better control of shape and material composition. Finally we take a look onto possible device applications, presenting our attempts, e.g., to build LEDs based on GaN nanostructures.

Synthesis and Characterization of ZNO/MN Nanocomposite by using Sol-Gel Method

NASA Astrophysics Data System (ADS)

Ningsih, S. K. W.; Bahrizal, B.; Nasra, E.; Nizar, U. K.; Farisya, R.

2018-04-01

Zink oxide doped Mn nanocomposites were synthesized by simple sol-gel method at low temperature by using combination of aquadest with methanol as the solvent and ethylene glycol as the additive. Zink acetate dehydrate and manganese chloride tetrahydrate were used as the precursors. Composition dopants were 1,3,5,and 7%. The crystals were formed by drying at 110°C for 1 hour, after which they were heated at ± 500°C for 2 hours. The as-prepared ZnO/Mn nanocomposites were characterized by X-ray diffraction (XRD) and UV Diffuse Reflectance Spectrometer (UVDRS). The XRD patterns of the ZnO nanocrystals showed that they are mostly hexagonal wurtzite with specific peaks at 2θ = 31, 34, 36, 47, 56, 63, 66 dan 69. The sizes of the ZnO doped Mn particles produced with 1%, 3%, 5% and 7% were18-95; 17-87; 18-96 19-98 nm, respectively. UVDRS analysis showed that the band gap of the ZnO were 2,60; 2,90; 2,99 dan 3,01 eV for 1%, 3%, 5% and 7% Mn respectively.

Enhanced photoelectrochemical and optical performance of ZnO films tuned by Cr doping

NASA Astrophysics Data System (ADS)

Salem, M.; Akir, S.; Massoudi, I.; Litaiem, Y.; Gaidi, M.; Khirouni, K.

2017-04-01

In this paper, pure and Cr-doped nanostructured Zinc oxide thin films were synthesized by simple and low cost co-precipitation and spin-coating method with Cr concentration varying between 0.5 and 5 at.%. Crystalline structure of the prepared films was investigated by X-ray diffraction (XRD) and Raman spectroscopy techniques. XRD analysis indicated that the films were indexed as the hexagonal phase of wurtzite-type structure and demonstrated a decrease in the crystallite size with increasing Cr doping content. Cr doping revealed a significant effect on the optical measurements such as transmission and photoluminescence properties. The optical measurements indicated that Cr doping decreases the optical band gap and it has been shifted from 3.41 eV for pure ZnO film to 3.31 eV for 5 at.% Cr-doped one. The photoelectrochemical (PEC) sensing characteristics of Cr-doped ZnO layers were investigated. Amongst all photo-anodes with different Cr dopant concentration, the 2 at.% Cr incorporated ZnO films exhibited fast response and higher photoconduction sensitivity.

Optical detection of electron paramagnetic resonance in room-temperature electron-irradiated ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vlasenko, L.S.; Watkins, G.D.

The dominant defect observed in the photoluminescence (PL) of room-temperature electron-irradiated ZnO by optical detection of electron paramagnetic resonance (ODEPR) is determined to be the positively charged oxygen vacancy (V{sub O}{sup +}). Its spectrum, labeled L3, was previously observed in a 4.2 K in situ irradiation study [Yu. V. Gorelkinskii and G. D. Watkins, Phys. Rev. B 69, 115212 (2004)], but it was thought there not to be stable at room temperature and was not identified. Here it is found to be stable to 400 deg. C, where it disappears. It is observed as a competing process (negative signal) tomore » the dominant PL band produced by the irradiation at {approx}700 nm, but is positive in a weaker band at {approx}600 nm. Models are presented for its electrical level position in the gap to explain the results. Two other ODEPR signals are also detected, one of which is tentatively identified as also associated with the oxygen vacancy.« less

Influence of Te and Se doping on ZnO films growth by SILAR method

NASA Astrophysics Data System (ADS)

Güney, Harun; Duman, Ćaǧlar

2016-04-01

The AIP Successive ionic layer adsorption and reaction (SILAR) is an economic and simple method to growth thin films. In this study, SILAR method is used to growth Selenium (Se) and Tellurium (Te) doped zinc oxide (ZnO) thin films with different doping rates. For characterization of the films X-ray diffraction (XRD), absorbance and scanning electron microscopy (SEM) are used. XRD results are showed well-defined strongly (002) oriented crystal structure for all samples. Also, absorbance measurements show, Te and Se concentration are proportional and inversely proportional with band gap energy, respectively. SEM measurements show that the surface morphology and thickness of the material varied with Se and/or Te and varying concentrations.

Influence of Te and Se doping on ZnO films growth by SILAR method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Güney, Harun, E-mail: harunguney25@hotmail.com; Duman, Çağlar, E-mail: caglarduman@erzurum.edu.tr

2016-04-18

The AIP Successive ionic layer adsorption and reaction (SILAR) is an economic and simple method to growth thin films. In this study, SILAR method is used to growth Selenium (Se) and Tellurium (Te) doped zinc oxide (ZnO) thin films with different doping rates. For characterization of the films X-ray diffraction (XRD), absorbance and scanning electron microscopy (SEM) are used. XRD results are showed well-defined strongly (002) oriented crystal structure for all samples. Also, absorbance measurements show, Te and Se concentration are proportional and inversely proportional with band gap energy, respectively. SEM measurements show that the surface morphology and thickness ofmore » the material varied with Se and/or Te and varying concentrations.« less

Polymorphic transformation of dense ZnO nanoparticles: Implications for chair/boat-type Peierls distortions of AB semiconductor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, S.-Y.; Shen Pouyan; Jiang Jianzhong

2004-12-08

Peierls distortion path was proved experimentally for dense ZnO nanoparticles prepared by static compression. Electron irradiation caused rock salt (R) to wurtzite (W) transition, following preferential (11-bar1){sub R}//(01-bar11){sub W}; [011]{sub R}//[1-bar21-bar3]{sub W} and then transformation strain induced (111-bar){sub R}//(1-bar011){sub W}; [011]{sub R}//[011-bar1]{sub W}. The two relationships can be rationalized by specified extent of chair- and boat-type Peierls distortions accompanied with band gap opening and intermediate {l_brace}111{r_brace}{sub R} slip for energetically favorable {l_brace}111{r_brace}{sub R}/(01-bar11){sub W} match.

Structural, electrical, optical and magnetic properties of NiO/ZnO thin films

NASA Astrophysics Data System (ADS)

Sushmitha, V.; Maragatham, V.; Raj, P. Deepak; Sridharan, M.

2018-02-01

Nickel oxide/Zinc oxide (NiO/ZnO) thin films have been deposited onto thoroughly cleaned glass substrates by reactive direct current (DC) magnetron sputtering technique and subsequently annealed at 300 °C for 3 h in vacuum. The NiO/ZnO thin films were then studied for their structural, optical and electrical properties. X-ray diffraction (XRD) pattern of ZnO and NiO showed the diffraction planes corresponding to hexagonal and cubic phase respectively. The optical properties showed that with the increase in the deposition time of NiO the energy band gap varied between 3.1 to 3.24 eV. Hence, by changing the deposition time of NiO the tuning of band gap and conductivity were achieved. The magnetic studies revealed the diamagnetic nature of the NiO/ZnO thin films.

Fabrication of interdigitated high-performance zinc oxide nanowire modified electrodes for glucose sensing.

PubMed

Haarindraprasad, R; Hashim, Uda; Gopinath, Subash C B; Perumal, Veeradasan; Liu, Wei-Wen; Balakrishnan, S R

2016-06-21

Diabetes is a metabolic disease with a prolonged elevated level of glucose in the blood leads to long-term complications and increases the chances for cardiovascular diseases. The present study describes the fabrication of a ZnO nanowire (NW)-modified interdigitated electrode (IDE) to monitor the level of blood glucose. A silver IDE was generated by wet etching-assisted conventional lithography, with a gap between adjacent electrodes of 98.80 μm. The ZnO-based thin films and NWs were amended by sol-gel and hydrothermal routes. High-quality crystalline and c-axis orientated ZnO thin films were observed by XRD analyses. The ZnO thin film was annealed for 1, 3 and 5 h, yielding a good-quality crystallite with sizes of 50, 100 and 110 nm, and the band gaps were measured as 3.26, 3.20 and 3.17 eV, respectively. Furthermore, a flower-modeled NW was obtained with the lowest diameter of 21 nm. Our designed ZnO NW-modified IDE was shown to have a detection limit as low as 0.03 mg/dL (correlation coefficient = 0.98952) of glucose with a low response time of 3 s, perform better than commercial glucose meter, suitable to instantly monitor the glucose level of diabetes patients. This study demonstrated the high performance of NW-mediated IDEs for glucose sensing as alternative to current glucose sensors. Copyright © 2016 Elsevier B.V. All rights reserved.

Rapid, controllable, one-pot and room-temperature aqueous synthesis of ZnO:Cu nanoparticles by pulsed UV laser and its application for photocatalytic degradation of methyl orange.

PubMed

Arabi, Mozhgan; Baizaee, Seyyed Mahdy; Bahador, Alireza; Otaqsara, Seyed Mohammad Taheri

2018-05-01

Zinc oxide (ZnO) and ZnO:Cu nanoparticles (NPs) were synthesized using a rapid, controllable, one-pot and room-temperature pulsed UV-laser assisted method. UV-laser irradiation was used as an effective energy source in order to gain better control over the NPs size and morphology in aqueous media. Parameters effective in laser assisted synthesis of NPs such as irradiation time and laser shot repetition rate were optimized. Photoluminescence (PL) spectra of ZnO NPs showed a broad emission with two trap state peaks located at 442 and 485 nm related to electronic transition from zinc interstitial level (I Zn ) to zinc vacancy level (V Zn ) and electronic transition from conduction band to the oxygen vacancy level (V O ), respectively. For ZnO:Cu NPs, trap state emissions disappeared completely and a copper (Cu)-related emission appeared. PL intensity of Cu-related emission increased with the increase in concentration of Cu 2+ , so that for molar ratio of Cu:Zn 2%, optimal value of PL intensity was obtained. The photocatalytic activity of Cu-doped ZnO revealed 50 and 100% increasement than that of undoped NPs under UV and visible irradiation, respectively. The enhanced photocatalytic activity could be attributed to smaller crystal size, as well as creation of impurity acceptor levels (T 2 ) inside the ZnO energy band gap. Copyright © 2017 John Wiley & Sons, Ltd.

Studies of surface states in zinc oxide nanopowders

NASA Astrophysics Data System (ADS)

Peters, Raul Mugabe

The surface of ZnO semiconductor nanosystems is a key performance-defining factor in numerous applications. In this work we present experimental results for the surface defect-related properties of ZnO nanoscale systems. Surface photovoltage spectroscopy was used to determine the defect level energies within the band gap, the conduction vs. valence band nature of the defect-related transitions, and to probe key dynamic parameters of the surface on a number of commercially available ZnO nanopowders. In our experimental setup, surface photovoltage characterization is conducted in high vacuum in tandem with in situ oxygen remote plasma treatments. Surface photovoltage investigations of the as-received and plasma-processed samples revealed a number of common spectral features related to surface states. Furthermore, we observed significant plasma-induced changes in the surface defect properties. Ex situ positron annihilation and photoluminescence measurements were performed on the studied samples and correlated with surface photovoltage results. The average positron lifetimes were found to be substantially longer than in a bulk single crystalline sample, which is consistent with the model of grains with defect-rich surface and subsurface layers. Compression of the powders into pellets yielded reduction of the average positron lifetimes. Surface photovoltage, positron annihilation, and photoluminescence spectra consistently showed sample-to-sample differences due to the variation in the overall quality of the nanopowders, which partially obscures observation of the scaling effects. However, the results demonstrated that our approach is efficient in detecting specific surface states in nanoscale ZnO specimens and in elucidating their nature.

Cytotoxicity of ZnO Nanoparticles Can Be Tailored by Modifying Their Surface Structure: A Green Chemistry Approach for Safer Nanomaterials.

PubMed

Punnoose, Alex; Dodge, Kelsey; Rasmussen, John W; Chess, Jordan; Wingett, Denise; Anders, Catherine

2014-07-07

ZnO nanoparticles (NP) are extensively used in numerous nanotechnology applications; however, they also happen to be one of the most toxic nanomaterials. This raises significant environmental and health concerns and calls for the need to develop new synthetic approaches to produce safer ZnO NP, while preserving their attractive optical, electronic, and structural properties. In this work, we demonstrate that the cytotoxicity of ZnO NP can be tailored by modifying their surface-bound chemical groups, while maintaining the core ZnO structure and related properties. Two equally sized (9.26 ± 0.11 nm) ZnO NP samples were synthesized from the same zinc acetate precursor using a forced hydrolysis process, and their surface chemical structures were modified by using different reaction solvents. X-ray diffraction and optical studies showed that the lattice parameters, optical properties, and band gap (3.44 eV) of the two ZnO NP samples were similar. However, FTIR spectroscopy showed significant differences in the surface structures and surface-bound chemical groups. This led to major differences in the zeta potential, hydrodynamic size, photocatalytic rate constant, and more importantly, their cytotoxic effects on Hut-78 cancer cells. The ZnO NP sample with the higher zeta potential and catalytic activity displayed a 1.5-fold stronger cytotoxic effect on cancer cells. These results suggest that by modifying the synthesis parameters/conditions and the surface chemical structures of the nanocrystals, their surface charge density, catalytic activity, and cytotoxicity can be tailored. This provides a green chemistry approach to produce safer ZnO NP.

Ionic liquid-assisted synthesis of highly dispersive bowknot-like ZnO microrods for photocatalytic applications

NASA Astrophysics Data System (ADS)

Zhao, Shuo; Zhang, Yiwei; Zhou, Yuming; Zhang, Chao; Sheng, Xiaoli; Fang, Jiasheng; Zhang, Mingyu; Yang, Yong

2017-04-01

Here we present a facile method for the preparation of highly dispersive ZnO materials by using ionic liquid 1-methyl-3-[3‧-(trimethoxysilyl) propyl] imidazolium chloride as the template. The influence of ionic liquid concentration and calcined atmosphere on the photoactivity is studied. The samples were characterized by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), scanning electron microscope (SEM), N2 gas sorption and ultraviolet-visible diffuse reflectance spectroscopy. The results showed that the as-fabricated ZnO materials consisted of individual microrods with self-assembled bowknot-like architecture whose size was about 1 μm. The formation mechanism of the bowknot-like ZnO materials which is based on the self-assembly of ionic liquid is tentatively elucidated. Moreover, the ZnO-2.6N sample exhibited the higher activity for the photodegradation of MB than the photodegradation of MO and RhB. Furthermore, it was found that the ZnO materials calcined under air atmosphere showed the better photocatalytic activities than that of samples calcined under nitrogen atmosphere in the degradation of methylene blue (MB) under UV irradiation. And the special structure, surface area, adsorption capability of dye, the separation rate of photogenerated electron-hole pairs and band gap had effects on the photocatalytic activity of ZnO photocatalysts. O2rad - was the main active species for the photocatalytic degradation of MB. It is valuable to develop this facile route preparing the highly dispersive bowknot-like ZnO materials and the ZnO materials can be beneficial for environmental protection.

Morphology control, defect engineering and photoactivity tuning of ZnO crystals by graphene oxide--a unique 2D macromolecular surfactant.

PubMed

Pan, Xiaoyang; Yang, Min-Quan; Xu, Yi-Jun

2014-03-28

Zinc oxide (ZnO) nanostructured materials have received significant attention because of their unique physicochemical and electronic properties. In particular, the functional properties of ZnO are strongly dependent on its morphology and defect structure, particularly for a semiconductor ZnO-based photocatalyst. Here, we demonstrate a simple strategy for simultaneous morphology control, defect engineering and photoactivity tuning of semiconductor ZnO by utilizing the unique surfactant properties of graphene oxide (GO) in a liquid phase. By varying the amount of GO added during the synthesis process, the morphology of ZnO gradually evolves from a one dimensional prismatic rod to a hexagonal tube-like architecture while GO is converted into reduced GO (RGO). In addition, the introduction of GO can create oxygen vacancies in the lattice of ZnO crystals. As a result, the absorption edge of the wide band gap semiconductor ZnO is effectively extended to the visible light region, which thus endows the RGO-ZnO nanocomposites with visible light photoactivity; in contrast, the bare ZnO nanorod is only UV light photoactive. The synergistic integration of the unique morphology and the presence of oxygen vacancies imparts the RGO-ZnO nanocomposite with remarkably enhanced visible light photoactivity as compared to bare ZnO and its counterpart featuring different structural morphologies and the absence of oxygen vacancies. Our promising results highlight the versatility of the 2D GO as a solution-processable macromolecular surfactant to fabricate RGO-semiconductor nanocomposites with tunable morphology, defect structure and photocatalytic performance in a system-materials-engineering way.

Photocatalytic activity of ZnO doped with Ag on the degradation of endocrine disrupting under UV irradiation and the investigation of its antibacterial activity

NASA Astrophysics Data System (ADS)

Bechambi, Olfa; Chalbi, Manel; Najjar, Wahiba; Sayadi, Sami

2015-08-01

Ag-doped ZnO photocatalysts with different Ag molar content (0.0, 0.5, 1.0, 2.0 and 4.0%) were prepared via hydrothermal method. The X-ray diffraction (XRD), Nitrogen physisorption at 77 K, Fourier transformed infrared spectroscopy (FTIR), UV--Visible spectroscopy, Photoluminescence spectra (PL) and Raman spectroscopy were used to characterize the structural, textural and optical properties of the samples. The results showed that Ag-doping does not change the average crystallite size with the Ag low content (≤1.0%) but slightly decreases with Ag high content (>1.0%). The specific surface area (SBET) increases with the increase of the Ag content. The band gap values of ZnO are decreased with the increase of the Ag doping level. The results of the photocatalytic degradation of bisphenol A (BPA) and nonylphenol (NP) in aqueous solutions under UV irradiation and in the presence of hydrogen peroxide (H2O2) showed that silver ions doping greatly improved the photocatalytic efficiency of ZnO. The TOC conversion BPA and NP are 72.1% and 81.08% respectively obtained using 1% Ag-doped ZnO. The enhancement of photocatalytic activity is ascribed to the fact that the modification of ZnO with an appropriate amount of Ag can increase the separation efficiency of the photogenerated electrons-holes in ZnO. The antibacterial activity of the catalysts which uses Escherichia coli as a model for Gram-negative bacteria confirmed that Ag-doped ZnO possessed more antibacterial activity than the pure ZnO.

Revealing hole trapping in zinc oxide nanoparticles by time-resolved X-ray spectroscopy

DOE PAGES

Penfold, Thomas J.; Szlachetko, Jakub; Santomauro, Fabio G.; ...

2018-02-02

Nanostructures of transition metal oxides (TMO), such as ZnO, have attracted considerable interest for solar-energy conversion and photocatalysis. For the latter, trapping of charge carriers has an essential role. The probing of electron trapping in the conduction band of room temperature photoexcited TMOs has recently become possible owing to the emergence of time-resolved element-sensitive methods, such as X-ray spectroscopy. However, because the valence band of TMOs is dominated by the oxygen 2p orbitals,holes have so far escaped observation. Herein we use a novel dispersive X-ray emission spectrometer combined with X-ray absorption spectroscopy to directly probe the charge carrier relaxation andmore » trapping pro-cesses in ZnO nanoparticles after above band-gap photoexcitation. Here, our results, supported by simulations, demonstrate that within our temporal resolution of 80 ps, photo-excited holes are trapped at singly charged oxygen vacancies, turning them into doubly charged vacancies, which causes an outward displacement by approximately 15% of the four surrounding Zn atoms away from the central vacancy. These traps recombine radiatively with the delocalised electrons of the conduction band yielding the commonly observed green luminescence. This identification of the hole traps and their evolution provides new insight for future developments of TMO-based nanodevices.« less

Revealing hole trapping in zinc oxide nanoparticles by time-resolved X-ray spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Penfold, Thomas J.; Szlachetko, Jakub; Santomauro, Fabio G.

Nanostructures of transition metal oxides (TMO), such as ZnO, have attracted considerable interest for solar-energy conversion and photocatalysis. For the latter, trapping of charge carriers has an essential role. The probing of electron trapping in the conduction band of room temperature photoexcited TMOs has recently become possible owing to the emergence of time-resolved element-sensitive methods, such as X-ray spectroscopy. However, because the valence band of TMOs is dominated by the oxygen 2p orbitals,holes have so far escaped observation. Herein we use a novel dispersive X-ray emission spectrometer combined with X-ray absorption spectroscopy to directly probe the charge carrier relaxation andmore » trapping pro-cesses in ZnO nanoparticles after above band-gap photoexcitation. Here, our results, supported by simulations, demonstrate that within our temporal resolution of 80 ps, photo-excited holes are trapped at singly charged oxygen vacancies, turning them into doubly charged vacancies, which causes an outward displacement by approximately 15% of the four surrounding Zn atoms away from the central vacancy. These traps recombine radiatively with the delocalised electrons of the conduction band yielding the commonly observed green luminescence. This identification of the hole traps and their evolution provides new insight for future developments of TMO-based nanodevices.« less

Hyperfine Interactions in the Electron Paramagnetic Resonance Spectra of Point Defects in Wide-Band-Gap Semiconductors

DTIC Science & Technology

2014-09-18

compensation) during growth due to their preferred trivalent charge states. The electron paramagnetic resonance spectrum of the singly ionized chromium ...neutral nitrogen acceptor in ZnO . . . . . . . . . . . . . . . . . . 45 16 Spectrum of the singly ionized chromium acceptor in TiO2 . . . . . . . . . 49...is a single crystal of magnesium oxide that has been doped with chromium . Chromium Cr3+ substitutes for magnesium Mg2+ and creates a paramagnetic

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

PubMed

Flores, Efracio Mamani; Gouvea, Rogério Almeida; Piotrowski, Maurício Jeomar; Moreira, Mário Lucio

2018-02-14

The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation. From an experimental point of view, the combining of materials can be achieved by decorating a core with a shell of another material resulting in a core-shell system, which allows control of the desired photoelectronic properties. In this context, a computational simulation is mandatory for the atomistic understanding of possible semiconductor combinations and for the prediction of their properties. Considering the construction of ZnO/ZnX (X = S, Se or Te) interfaces, we seek to investigate the electronic influence of the shell (ZnX) on the core (ZnO) and, consequently, find out which of the interfaces would present the appropriate properties for (Grätzel-type) solar cell applications. To perform this study, we have employed density functional theory (DFT) calculations, considering the Perdew-Burke-Ernzerhof (PBE) functional. However, it is well-known that plain DFT fails to describe strong electronic correlated materials where, in general, an underestimation of the band gap is obtained. Thus, to obtain the correct description of the electronic properties, a Hubbard correction was employed, i.e. PBE+U calculations. The PBE+U methodology provided the correct electronic structure properties for bulk ZnO in good agreement with experimental values (99.4%). The ZnO/ZnX interfaces were built and were composed of six ZnO layers and two ZnX layers, which represents the decoration process. The core-shell band gap was 2.2 eV for ZnO/ZnS, ∼1.71 eV for ZnO/ZnSe and ∼0.95 eV for ZnO/ZnTe, which also exhibited a type-II band alignment. Bader charge analysis showed an accumulation of charges in the 6th layer of ZnO for the three ZnO/ZnX interfaces. On the basis of these results, we have proposed that ZnO/ZnS and ZnO/ZnSe core-shell structures can be applied as good candidates (with better efficiency) for photovoltaic devices.

Near band edge photoluminescence of ZnO nanowires: Optimization via surface engineering

NASA Astrophysics Data System (ADS)

Yan, Danhua; Zhang, Wenrui; Cen, Jiajie; Stavitski, Eli; Sadowski, Jerzy T.; Vescovo, Elio; Walter, Andrew; Attenkofer, Klaus; Stacchiola, Darío J.; Liu, Mingzhao

2017-12-01

Zinc oxide (ZnO) nanowire arrays have potential applications for various devices such as ultra-violet light emitting diodes and lasers, where photoluminescence of intense near band edge emission without defect emissions is usually desired. Here, we demonstrate, counter-intuitively, that the near band edge emission may become dominant by introducing certain surface defects to ZnO nanowires via surface engineering. Specifically, near band edge emission (NBE) is effectively enhanced after a low pressure O2 plasma treatment that sputters off surface oxygen species to produce a reduced and oxygen vacancy-rich surface. The effect is attributed to the lowered surface valence band maximum of the reduced ZnO surface that creates an accumulative band bending, which screens the photo-generated minority carriers (holes) from reaching or being trapped by the surface defects.

Near band edge photoluminescence of ZnO nanowires: Optimization via surface engineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Danhua; Zhang, Wenrui; Cen, Jiajie

Zinc oxide (ZnO) nanowire arrays have potential applications for various devices including ultra-violet light emitting diodes and lasers, where photoluminescence of intense near band edge emission without defect emissions is usually desired. Here, we demonstrate, counter-intuitively, that the near band edge emission may become dominant by introducing certain surface defects to ZnO nanowires via surface engineering. Specifically, near band edge emission (NBE) is effectively enhanced after a low pressure O 2 plasma treatment that sputters off surface oxygen species to produce a reduced and oxygen vacancy-rich surface. The effect is attributed to the lowered surface valence band maximum of themore » reduced ZnO surface that creates an accumulative band bending, which screens the photo-generated minority carriers (holes) from reaching or being trapped by the surface defects.« less

Near band edge photoluminescence of ZnO nanowires: Optimization via surface engineering

DOE PAGES

Yan, Danhua; Zhang, Wenrui; Cen, Jiajie; ...

2017-12-04

Zinc oxide (ZnO) nanowire arrays have potential applications for various devices including ultra-violet light emitting diodes and lasers, where photoluminescence of intense near band edge emission without defect emissions is usually desired. Here, we demonstrate, counter-intuitively, that the near band edge emission may become dominant by introducing certain surface defects to ZnO nanowires via surface engineering. Specifically, near band edge emission (NBE) is effectively enhanced after a low pressure O 2 plasma treatment that sputters off surface oxygen species to produce a reduced and oxygen vacancy-rich surface. The effect is attributed to the lowered surface valence band maximum of themore » reduced ZnO surface that creates an accumulative band bending, which screens the photo-generated minority carriers (holes) from reaching or being trapped by the surface defects.« less

ZnO layers prepared by spray pyrolysis

NASA Astrophysics Data System (ADS)

Messaoudi, C.; Abd-Lefdil, S.; Sayah, D.; Cadene, M.

1998-02-01

Highly transparent undoped and indium doped ZnO thin films have been grown on glass substrates by using the spray pyrolysis process. Conditions of preparation have been optimized to get good quality and reproducible films with required properties. Polycrystalline films with an hexagonal Wurtzite-type structure were easily obtained under the optimum spraying conditions. Both of samples have shown high transmission coefficient in the visible and infrared wavelength range with sharp absorption edge around 380 nm which closely corresponds to the intrinsic band-gap of ZnO (3.2 eV). Orientation and crystallites size were remarkably modified by deposition temperature and indium doping. Des couches minces de ZnO, hautement transparentes, non dopées et dopées à l'indium ont été élaborées sur un substrat en verre par le procédé de pulvérisation chimique réactive spray. Les conditions de préparation ont été optimisées pour l'obtention de couches reproductibles, de bonne qualité et ayant les propriétés requises. Des films polycristallins, présentant une structure hexagonale de type Wurtzite, ont été aisément obtenus dans les conditions optimales de pulvérisation. Tous les échantillons ont présenté un coefficient de transmission élevé dans le domaine du visible et du proche infrarouge, avec une absorption brutale au voisinage de 380 nm, correspondant au gap optique du ZnO (3,2 eV). L'orientation et la taille des cristallites ont été remarquablement modifiées par la température du dépôt et par le dopage à l'indium.

Zinc oxide nanoparticles induce apoptosis and autophagy in human ovarian cancer cells.

PubMed

Bai, Ding-Ping; Zhang, Xi-Feng; Zhang, Guo-Liang; Huang, Yi-Fan; Gurunathan, Sangiliyandi

2017-01-01

Zinc oxide nanoparticles (ZnO NPs) are frequently used in industrial products such as paint, surface coating, and cosmetics, and recently, they have been explored in biologic and biomedical applications. Therefore, this study was undertaken to investigate the effect of ZnO NPs on cytotoxicity, apoptosis, and autophagy in human ovarian cancer cells (SKOV3). ZnO NPs with a crystalline size of 20 nm were characterized with various analytical techniques, including ultraviolet-visible spectroscopy, X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, and atomic force microscopy. The cytotoxicity, apoptosis, and autophagy were examined using a series of cellular assays. Exposure of cells to ZnO NPs resulted in a dose-dependent loss of cell viability, and the characteristic apoptotic features such as rounding and loss of adherence, enhanced reactive oxygen species generation, and loss of mitochondrial membrane potential were observed in the ZnO NP-treated cells. Furthermore, the cells treated with ZnO NPs showed significant double-strand DNA breaks, which are gained evidences from significant number of γ-H 2 AX and Rad51 expressed cells. ZnO NP-treated cells showed upregulation of p53 and LC3, indicating that ZnO NPs are able to upregulate apoptosis and autophagy. Finally, the Western blot analysis revealed upregulation of Bax, caspase-9, Rad51, γ-H 2 AX, p53, and LC3 and downregulation of Bcl-2. The study findings demonstrated that the ZnO NPs are able to induce significant cytotoxicity, apoptosis, and autophagy in human ovarian cells through reactive oxygen species generation and oxidative stress. Therefore, this study suggests that ZnO NPs are suitable and inherent anticancer agents due to their several favorable characteristic features including favorable band gap, electrostatic charge, surface chemistry, and potentiation of redox cycling cascades.

Photocatalytic antibacterial effect of ZnO nanoparticles into coaxial electrospun PCL fibers to prevent infections from skin injuries

NASA Astrophysics Data System (ADS)

Prado-Prone, G.; Silva-Bermúdez, P.; García-Macedo, J. A.; Almaguer-Flores, A.; Ibarra, C.; Velasquillo-Martínez, C.

2017-02-01

Antibacterial studies of inorganic nanoparticles (nps) have become important due to the increased bacterial resistance against antibiotics. We used Zinc oxide nanoparticles (ZnO nps), which possess excellent photocatalytic properties with a wide band gap (Eg), are listed as "generally recognized as safe" by the Food and Drug Administration (FDA) and have shown antibacterial activity (AA) against many bacterial strains. The AA of ZnO nps is partly attributed to the production of Reactive Oxygen Species (ROS) by photocatalysis. When ZnO nps in aqueous media are illuminated with an energy

Semiconductor nanostructures for plasma energetic systems

NASA Astrophysics Data System (ADS)

Mustafaev, Alexander; Smerdov, Rostislav; Klimenkov, Boris

2017-10-01

In this talk we discuss the research results of the three types of ultrasmall electrodes namely the nanoelectrode arrays based on composite nanostructured porous silicon (PS) layers, porous GaP and nanocrystals of ZnO. These semiconductor materials are of great interest to nano- and optoelectronic applications by virtue of their high specific surface area and extensive capability for surface functionalization. The use of semiconductor (GaN) cathodes in photon-enhanced thermionic emission systems has also proved to be effective although only a few (less than 1%) of the incident photons exceed the 3.3 eV GaN band gap. This significant drawback provided us with a solid foundation for our research in the field of nanostructured PS, and composite materials based on it exhibiting nearly optimal parameters in terms of the band gap (1.1 eV). The band gap modification for PS nanostructured layers is possible in the range of less than 1 eV and 3 eV due to the existence of quantum confinement effect and the remarkable possibilities of PS surface alteration thus providing us with a suitable material for both cathode and anode fabrication. The obtained results are applicable for solar concentration and thermionic energy conversion systems. Dr. Sci., Ph.D, Principal Scientist, Professor.

Comparative study on the physical properties of transition metal-doped (Co, Ni, Fe, and Mn) ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Azab, A. A.; Ateia, Ebtesam E.; Esmail, S. A.

2018-07-01

Nano-crystalline of TM-doped ZnO with general formula Zn0.97TM0.03O (TM: Mn, Fe, Co, and Ni) was prepared using sol-gel method. The dependence of crystal structure, morphology, and optical and magnetic properties on the type of transition metals was investigated. The XRD investigation of pure and TM-doped ZnO nanoparticles samples confirms the formation of single-phase hexagonal wurtzite structure. The estimated crystallite sizes are found in the range of 17 and 38 nm for the doped and pure samples, respectively. The obtained data suggest that the dopant type plays a vital role in the physical properties of the investigated samples. The optical band-gap energy Eg has been calculated from near infrared (NIR) and visible (VIS) reflectance spectra using the Kubelka-Munk function. Minimum value of 2.398 eV and maximum one of 3.29 eV were obtained for Manganese-doped ZnO and pure ZnO, respectively. The analysis of XRD and VSM of the samples confirms that the observed room-temperature (RT) ferromagnetism can be attributed to an intrinsic property of doped material sample and not due to formation of any secondary phase. The magnetic results show that Mn is the most effective dopant for producing ferromagnetism in nanoparticles of ZnO.

A comparative study of physico-chemical properties of CBD and SILAR grown ZnO thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jambure, S.B.; Patil, S.J.; Deshpande, A.R.

2014-01-01

Graphical abstract: Schematic model indicating ZnO nanorods by CBD (Z{sub 1}) and nanograins by SILAR (Z{sub 2}). - Highlights: • Simple methods for the synthesis of ZnO thin films. • Comparative study of physico-chemical properties of ZnO thin films prepared by CBD and SILAR methods. • CBD outperforms SILAR method. - Abstract: In the present work, nanocrystalline zinc oxide (ZnO) thin films have been successfully deposited onto glass substrates by simple and economical chemical bath deposition (CBD) and successive ionic layer adsorption reaction (SILAR) methods. These films were further characterized for their structural, optical, surface morphological and wettability properties. Themore » X-ray diffraction (XRD) patterns for both CBD and SILAR deposited ZnO thin films reveal the highly crystalline hexagonal wurtzite structure. From optical studies, band gaps obtained are 2.9 and 3.0 eV for CBD and SILAR deposited thin films, respectively. The scanning electron microscope (SEM) patterns show growth of well defined randomly oriented nanorods and nanograins on the CBD and SILAR deposited samples, respectively. The resistivity of CBD deposited films (10{sup 2} Ω cm) is lower than that of SILAR deposited films (10{sup 5} Ω cm). Surface wettability studies show hydrophobic nature for both films. From the above results it can be concluded that CBD grown ZnO thin films show better properties as compared to SILAR method.« less

Enhanced Photoelectrocatalytic Activity of BiOI Nanoplate-Zinc Oxide Nanorod p-n Heterojunction.

PubMed

Kuang, Pan-Yong; Ran, Jing-Run; Liu, Zhao-Qing; Wang, Hong-Juan; Li, Nan; Su, Yu-Zhi; Jin, Yong-Gang; Qiao, Shi-Zhang

2015-10-19

The development of highly efficient and robust photocatalysts has attracted great attention for solving the global energy crisis and environmental problems. Herein, we describe the synthesis of a p-n heterostructured photocatalyst, consisting of ZnO nanorod arrays (NRAs) decorated with BiOI nanoplates (NPs), by a facile solvothermal method. The product thus obtained shows high photoelectrochemical water splitting performance and enhanced photoelectrocatalytic activity for pollutant degradation under visible light irradiation. The p-type BiOI NPs, with a narrow band gap, not only act as a sensitizer to absorb visible light and promote electron transfer to the n-type ZnO NRAs, but also increase the contact area with organic pollutants. Meanwhile, ZnO NRAs provide a fast electron-transfer channel, thus resulting in efficient separation of photoinduced electron-hole pairs. Such a p-n heterojunction nanocomposite could serve as a novel and promising catalyst in energy and environmental applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

CNT supported Mn-doped ZnO nanoparticles: simple synthesis and improved photocatalytic activity for degradation of malachite green dye under visible light

NASA Astrophysics Data System (ADS)

Mohamed, R. M.; Shawky, Ahmed

2018-03-01

Hexagonal ZnO nanoparticles doped with Mn and supported with a minor amount of carbon nanotubes (CNTs) were synthesized through a simple coprecipitation-ultrasonication process with high yield. The effect of Mn doping, as well as CNTs addition on structure, surface morphology and texture, optical and electronic properties, was studied. We found that just 1% Mn doping and 1% CNT addition on ZnO showed the best crystallinity, highest surface area, improved visible light absorption, and a lowest estimated band gap of 2.6 eV with minimum charge recombination as revealed from photoluminescence spectra. The application of the optimum composition of the synthesized sample for the photodegradation of malachite green dye showed enhanced photocatalytic activity > 95% under visible light irradiation within 120 min at a minimum dosage of 0.1 g L-1 without any using of hole scavenger or changing the pH. This work highlighting the humble preparation procedure and develops photocatalysis research for real industrial applications.

Influences of Co doping on the structural and optical properties of ZnO nanostructured

NASA Astrophysics Data System (ADS)

Majeed Khan, M. A.; Wasi Khan, M.; Alhoshan, Mansour; Alsalhi, M. S.; Aldwayyan, A. S.

2010-07-01

Pure and Co-doped ZnO nanostructured samples have been synthesized by a chemical route. We have studied the structural and optical properties of the samples by using X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), field-emission transmission electron microscope (FETEM), energy-dispersive X-ray (EDX) analysis and UV-VIS spectroscopy. The XRD patterns show that all the samples are hexagonal wurtzite structures. Changes in crystallite size due to mechanical activation were also determined from X-ray measurements. These results were correlated with changes in particle size followed by SEM and TEM. The average crystallite sizes obtained from XRD were between 20 to 25 nm. The TEM images showed the average particle size of undoped ZnO nanostructure was about 20 nm whereas the smallest average grain size at 3% Co was about 15 nm. Optical parameters such as absorption coefficient ( α), energy band gap ( E g ), the refractive index ( n), and dielectric constants ( σ) have been determined using different methods.

Sustainable synthesis of metals-doped ZnO nanoparticles from zinc-bearing dust for photodegradation of phenol.

PubMed

Wu, Zhao-Jin; Huang, Wei; Cui, Ke-Ke; Gao, Zhi-Fang; Wang, Ping

2014-08-15

A novel strategy of waste-cleaning-waste is proposed in the present work. A metals-doped ZnO (M-ZnO, M = Fe, Mg, Ca and Al) nanomaterial has been prepared from a metallurgical zinc-containing solid waste "fabric filter dust" by combining sulfolysis and co-precipitation processes, and is found to be a favorable photocatalyst for photodegradation of organic substances in wastewater under visible light irradiation. All the zinc and dopants (Fe, Mg, Ca and Al) for preparing M-ZnO are recovered from the fabric filter dust, without any addition of chemical as elemental source. The dust-derived M-ZnO samples deliver single phase indexed as the hexagonal ZnO crystal, with controllable dopants species. The photocatalytic activity of the dust-derived M-ZnO samples is characterized by photodegradation of phenol aqueous solution under visible light irradiation, giving more prominent photocatalytic behaviors than undoped ZnO. Such enhancements may be attributed to incorporation of the dust-derived metal elements (Fe, Mg, Ca and Al) into ZnO structure, which lead to the modification of band gap and refinement of grain size. The results show a feasibility to utilize the industrial waste as a resource of photodegradating organic substances in wastewater treatments. Copyright © 2014 Elsevier B.V. All rights reserved.

Williamson-Hall analysis and optical properties of small sized ZnO nanocrystals

NASA Astrophysics Data System (ADS)

Kalita, Amarjyoti; Kalita, Manos P. C.

2017-08-01

We apply Williamson-Hall (WH) method of X-ray diffraction (XRD) line profile analysis for lattice strain estimation of small sized ZnO nanocrystals (crystallite size≈4 nm). The ZnO nanocrystals are synthesized by room temperature chemical co-precipitation followed by heating at 40 °C. Zinc acetate, sodium hydroxide and 2-mercaptoethanol (ME) are used for the synthesis of the nanocrystals. {100}, {002}, {101} and {200}, {112}, {201} line profiles in the XRD pattern are significantly merged, therefore determination of the full width at half maximum values and peak positions of the line profiles required for WH analysis has been carried out by executing Rietveld refinement of the XRD pattern. Lattice strain of the 4 nm sized ZnO nanocrystals is found to be 5.8×10-3 which is significantly higher as compared to the literature reported values for larger ones (crystallite size≈17-47 nm). Role of ME as capping agent is confirmed by Fourier transform infrared spectroscopy. The band gap of the nanocrystals is determined from the UV-Visible absorption spectrum and is found to be 3.68 eV. The photoluminescence spectrum exhibits emissions in the visible (408 nm-violet, 467 nm-blue and 538 nm-green) regions showing presence of zinc interstitial and oxygen vacancy in the ZnO nanocrystals.

Effect of Temperature and Growth Time on Vertically Aligned ZnO Nanorods by Simplified Hydrothermal Technique for Photoelectrochemical Cells.

PubMed

Mohd Fudzi, Laimy; Zainal, Zulkarnain; Lim, Hong Ngee; Chang, Sook-Keng; Holi, Araa Mebdir; Sarif Mohd Ali, Mahanim

2018-04-29

Despite its large band gap, ZnO has wide applicability in many fields ranging from gas sensors to solar cells. ZnO was chosen over other materials because of its large exciton binding energy (60 meV) and its stability to high-energy radiation. In this study, ZnO nanorods were deposited on ITO glass via a simple dip coating followed by a hydrothermal growth. The morphological, structural and compositional characteristics of the prepared films were analyzed using X-ray diffractometry (XRD), field emission scanning electron microscopy (FESEM), and ultraviolet-visible spectroscopy (UV-Vis). Photoelectrochemical conversion efficiencies were evaluated via photocurrent measurements under calibrated halogen lamp illumination. Thin film prepared at 120 °C for 4 h of hydrothermal treatment possessed a hexagonal wurtzite structure with the crystallite size of 19.2 nm. The average diameter of the ZnO nanorods was 37.7 nm and the thickness was found to be 2680.2 nm. According to FESEM images, as the hydrothermal growth temperature increases, the nanorod diameter become smaller. Moreover, the thickness of the nanorods increase with the growth time. Therefore, the sample prepared at 120 °C for 4 h displayed an impressive photoresponse by achieving high current density of 0.1944 mA/cm².

Effects of Al-Impurity Type on Formation Energy, Crystal Structure, Electronic Structure, and Optical Properties of ZnO by Using Density Functional Theory and the Hubbard-U Method.

PubMed

Wu, Hsuan-Chung; Chen, Hsing-Hao; Zhu, Yu-Ren

2016-08-01

We systematically investigated the effects of Al-impurity type on the formation energy, crystal structure, charge density, electronic structure, and optical properties of ZnO by using density functional theory and the Hubbard-U method. Al-related defects, such as those caused by the substitution of Zn and O atoms by Al atoms (Al s(Zn) and Al s(O) , respectively) and the presence of an interstitial Al atom at the center of a tetrahedron (Al i(tet) ) or an octahedron (Al i(oct) ), and various Al concentrations were evaluated. The calculated formation energy follows the order E f (Al s(Zn) ) < E f (Al i(tet) ) < E f (Al i(oct) ) < E f (Al s(O) ). Electronic structure analysis showed that the Al s(Zn) , Al s(O) , Al i(tet) , and Al i(oct) models follow n -type conduction, and the optical band gaps are higher than that of pure ZnO. The calculated carrier concentrations of the Al s(O) and Al i(tet) /Al i(oct) models are higher than that of the Al s(Zn) model. However, according to the curvature of the band structure, the occurrence of interstitial Al atoms or the substitution of O atoms by Al atoms results in a high effective mass, possibly reducing the carrier mobility. The average transmittance levels in the visible light and ultraviolet (UV) regions of the Al s(Zn) model are higher than those of pure ZnO. However, the presence of an interstitial Al atom within the ZnO crystal reduces transmittance in the visible light region; Al s(O) substantially reduces the transmittance in the visible light and UV regions. In addition, the properties of ZnO doped with various Al s(Zn) concentrations were analyzed.

Electrodeposition and characterization of ZnO thin films using sodium thiosulfate as an additive for photovoltaic solar cells

NASA Astrophysics Data System (ADS)

Rahal, Hassiba; Kihal, Rafiaa; Affoune, Abed Mohamed; Ghers, Mokhtar; Djazi, Faycal

2017-06-01

Zinc oxide thin films have been grown by electrodeposition technique onto Cu and ITO-coated glass substrates from an aqueous zinc nitrate solution with addition of sodium thiosulfate at 90 °C. The effects of sodium thiosulfate on the electrochemical deposition of ZnO were investigated by cyclic voltammetry and chronoamperometry techniques. Deposited films were obtained at -0.60 V vs. SCE and characterized by XRD, SEM, FTIR, optical, photoelectrochemical and electrical measurements. Thickness of the deposited film was measured to be 357 nm. X-ray diffraction results indicated that the synthesized ZnO has a pure hexagonal wurtzite structure with a marked preferential orientation along (002) plane. FTIR results confirmed the presence of ZnO films at peak 558 cm-1. SEM images showed uniform, compact morphology without any cracks and films composed of large flower-like ZnO agglomerates with star-shape. Optical properties of ZnO reveal a high optical transmission (> 80 % ) and high absorption coefficient (α > {10}5 {{cm}}-1) in visible region. The optical energy band gap was found to be 3.28 eV. Photoelectrochemical measurements indicated that the ZnO films had n-type semiconductor conduction. Electrical properties of ZnO films showed a low electrical resistivity of 6.54 {{Ω }}\\cdot {cm}, carrier concentration of -1.3× {10}17 {{cm}}-3 and mobility of 7.35 cm2 V-1 s-1. Project supported by the Algerian Ministry of Higher Education and Scientific Research, Algeria (No. J0101520090018).

Zn-Al layered double hydroxide prepared at different molar ratios: Preparation, characterization, optical and dielectric properties

NASA Astrophysics Data System (ADS)

Ahmed, Abdullah Ahmed Ali; Talib, Zainal Abidin; bin Hussein, Mohd Zobir; Zakaria, Azmi

2012-07-01

The co-precipitation method was used to prepare Zn-Al-NO3-LDH at different Zn2+/Al3+ molar ratios (2, 3, 4, 5 and 6) and pH value of 7.5. The structure, textural, composition and morphological properties were investigated using powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), Fourier transform infrared (FT-IR) and scanning electron microscope (SEM), respectively. The crystallinity of LDH samples were found to improve as molar ratio decreased which is attributed to the distortion of the hydroxide layers networks of the LDH crystal by the larger difference in ionic radii of Zn2+ and Al3+. The optical band gap energy of LDH samples were evaluated using absorbance data from UV-Vis-NIR Diffuse reflectance spectroscopy. Band gaps were affected by the variation of the Zn2+/Al3+ molar ratio is due to the formation of the low crystalline phases (ZnO and ZnAl2O4). The water molecules and anionic NO3- in the LDH interlayer were responsible for the generation of the dielectric response. This response can be described by an anomalous low frequency dispersion using the second type of Universal Power Law. The dominance of ZnO dipoles and charge carriers (NO3- ions) in the dielectric relaxation increases with the increasing molar ratio.

Role of lithium ions on the physical, structural and optical properties of zinc boro tellurite glasses

NASA Astrophysics Data System (ADS)

Rani, S.; Ahlawat, N.; Parmar, R.; Dhankhar, S.; Kundu, R. S.

2018-07-01

Lithium zinc boro tellurite glasses with compositions xLi2O-(100-x) [0.25ZnO-0.15B2O3-0.60TeO2] [where x = 0, 5, 10, 15 and 20 mol%] have been prepared by melt-quench technique. The amorphous nature of the prepared system is ascertained by X-ray diffraction. The density and molar volume are found to decrease with the increase in concentration of Li2O. The differential scanning calorimetry is used to calculate the glass transition temperature (Tg) and the observed values are found to be decreased. The IR and Raman spectra indicate that Li2O acts as a network modifier in the glass matrix. In the present system, tellurium exists as TeO4 and TeO3, B2O3 in the form of BO4 and BO3 and zinc oxide exists as ZnO4 structural units. The values of the optical band gap are estimated from the fitting of Mott and Davis's and model. A better convergence is achieved between experimental observed spectra of absorption coefficient and hydrogenic excitonic model. The optical band gap energy increases, whereas refractive index and molar refractivity follow the reverse trend with Li2O. The range of metallization criterion suggests that these glasses may be a potential candidate for nonlinear optical materials.

Role of lithium ions on the physical, structural and optical properties of zinc boro tellurite glasses

NASA Astrophysics Data System (ADS)

Rani, S.; Ahlawat, N.; Parmar, R.; Dhankhar, S.; Kundu, R. S.

2018-01-01

Lithium zinc boro tellurite glasses with compositions xLi2O-(100-x) [0.25ZnO-0.15B2O3-0.60TeO2] [where x = 0, 5, 10, 15 and 20 mol%] have been prepared by melt-quench technique. The amorphous nature of the prepared system is ascertained by X-ray diffraction. The density and molar volume are found to decrease with the increase in concentration of Li2O. The differential scanning calorimetry is used to calculate the glass transition temperature (Tg) and the observed values are found to be decreased. The IR and Raman spectra indicate that Li2O acts as a network modifier in the glass matrix. In the present system, tellurium exists as TeO4 and TeO3, B2O3 in the form of BO4 and BO3 and zinc oxide exists as ZnO4 structural units. The values of the optical band gap are estimated from the fitting of Mott and Davis's and model. A better convergence is achieved between experimental observed spectra of absorption coefficient and hydrogenic excitonic model. The optical band gap energy increases, whereas refractive index and molar refractivity follow the reverse trend with Li2O. The range of metallization criterion suggests that these glasses may be a potential candidate for nonlinear optical materials.

Cytotoxicity of ZnO Nanoparticles Can Be Tailored by Modifying Their Surface Structure: A Green Chemistry Approach for Safer Nanomaterials

PubMed Central

2015-01-01

ZnO nanoparticles (NP) are extensively used in numerous nanotechnology applications; however, they also happen to be one of the most toxic nanomaterials. This raises significant environmental and health concerns and calls for the need to develop new synthetic approaches to produce safer ZnO NP, while preserving their attractive optical, electronic, and structural properties. In this work, we demonstrate that the cytotoxicity of ZnO NP can be tailored by modifying their surface-bound chemical groups, while maintaining the core ZnO structure and related properties. Two equally sized (9.26 ± 0.11 nm) ZnO NP samples were synthesized from the same zinc acetate precursor using a forced hydrolysis process, and their surface chemical structures were modified by using different reaction solvents. X-ray diffraction and optical studies showed that the lattice parameters, optical properties, and band gap (3.44 eV) of the two ZnO NP samples were similar. However, FTIR spectroscopy showed significant differences in the surface structures and surface-bound chemical groups. This led to major differences in the zeta potential, hydrodynamic size, photocatalytic rate constant, and more importantly, their cytotoxic effects on Hut-78 cancer cells. The ZnO NP sample with the higher zeta potential and catalytic activity displayed a 1.5-fold stronger cytotoxic effect on cancer cells. These results suggest that by modifying the synthesis parameters/conditions and the surface chemical structures of the nanocrystals, their surface charge density, catalytic activity, and cytotoxicity can be tailored. This provides a green chemistry approach to produce safer ZnO NP. PMID:25068096

Synthesis and Characterization of Nano-Structure Metal Oxides and Peroxides Prepared by Laser Ablation in Liquids

NASA Astrophysics Data System (ADS)

Drmosh, Qasem Ahmed Qasem

Pulsed laser ablation technique was applied for synthesize of ZnO, ZnO 2 and SnO2 nanostructure using metallic target in different liquids. For this purpose, a laser emitting pulsed UV radiations generated by the third harmonic of Nd:YAG (λ= 355 nm) was applied. For the synthesis of ZnO nanoparticles (NPs), a high-purity metallic plate of Zn was fixed at the bottom of a glass cell in the presence of deionized water and was irradiated at different laser energies (80- 100- 120) mJ per pulse. The average sizes and lattice parameters of ZnO produced by this method were estimated by X-ray diffraction (XRD). ZnO nanoparticles were also produced by ablation of zinc target in the presence of deionized water mixed with two types of surfactants: cetyltrimethyl ammonium bromide (CTAB) and octaethylene glycol monododecyl (OGM). The results showed that the average grain sizes decreased from 38 nm in the case of deionized water to 27 nm and 19 nm in CTAB and OGM respectively. The PL emission in CTAB and OGM showed two peaks: the sharp UV emission at 380 nm and a broad visible peak ranging from 450 nm to 600 nm. Zinc peroxide (ZnO2) nanoparticles having grain size less than 5 nm were also synthesized using pulsed laser ablation in aqueous solution in the presence of different surfactants and solid zinc target in 3 % hydrogen peroxide H2O2 for the first time. The effect of surfactants on the optical and structure of ZnO2 was studied by applying different spectroscopic techniques. The presence of the cubic phase of zinc peroxide in all samples was confirmed with XRD, and the grain sizes were 4.7 nm, 3.7 nm, 3.3 nm and 2.8 nm in pure H2O2; and H2O 2 mixed with SDS, CTAB and OGM respectively. For optical characterization, FTIR transmittance spectra of ZnO2 nanoparticles prepared with and without surfactants showed characteristic peaks of ZnO2 absorption at 435-445 cm-1. FTIR spectrum also revealed that the adsorbed surfactants on zinc peroxide disappeared in case of CTAB and OGM while it appears in case of SDS. Both FTIR and UV-Vis spectra showed a red shift in the presence of SDS and blue shift in presence of CTAB and OGM. The effect of post annealing temperature on dry ZnO2 nanoparticles prepared by PLA technique of solid zinc target in 3% H2O2 was studied by variation of the annealing temperatures from 100 to 600 °C for 8 hours under 1 atmospheric pressure. The XRD showed the phase transition from ZnO2 to ZnO at 200 °C. Based on XRD data, both the average grain size and lattice parameters of ZnO increased by post annealing of ZnO2 higher than 200 °C. In contrast, the band gap of ZnO nanoparticles decreased when the annealing temperature increased. The average sizes were 5, 6, 9, 15 and 19 nm at 200, 300, 400, 500 and 600 °C respectively. The PL emission spectra for ZnO showed strong UV emission peaks in all samples. In addition, the UV emission peaks were shifted to longer wavelength (red shifting) as the annealing temperature increase from 200 to 600 °C. From the above findings, we concluded that the grain size, lattice parameters, PL and band gap were size dependent as predicted by theoretical studies. (Abstract shortened by UMI.).

Synergistic effect of N-decorated and Mn2+ doped ZnO nanofibers with enhanced photocatalytic activity

PubMed Central

Wang, Yuting; Cheng, Jing; Yu, Suye; Alcocer, Enric Juan; Shahid, Muhammad; Wang, Ziyuan; Pan, Wei

2016-01-01

Here we report a high efficiency photocatalyst, i.e., Mn2+-doped and N-decorated ZnO nanofibers (NFs) enriched with vacancy defects, fabricated via electrospinning and a subsequent controlled annealing process. This nanocatalyst exhibits excellent visible-light photocatalytic activity and an apparent quantum efficiency up to 12.77%, which is 50 times higher than that of pure ZnO. It also demonstrates good stability and durability in repeated photocatalytic degradation experiments. A comprehensive structural analysis shows that high density of oxygen vacancies and nitrogen are introduced into the nanofibers surface. Hence, the significant enhanced visible photocatalytic properties for Mn-ZnO NFs are due to the synergetic effects of both Mn2+ doping and N decorated. Further investigations exhibit that the Mn2+-doping facilitates the formation of N-decorated and surface defects when annealing in N2 atmosphere. N doping induce the huge band gap decrease and thus significantly enhance the absorption of ZnO nanofibers in the range of visible-light. Overall, this paper provides a new approach to fabricate visible-light nanocatalysts using both doping and annealing under anoxic ambient. PMID:27600260

High temperature ferromagnetism in Ni doped ZnO nanoparticles: Milling time dependence

NASA Astrophysics Data System (ADS)

Pal, Bappaditya; Giri, P. K.; Sarkar, D.

2014-04-01

We report on the room temperature ferromagnetism (RT FM) in the Zn1-xNixO (x = 0, 0.03, and 0.05) nanoparticles (NPs) synthesized by a ball milling technique. X-ray diffraction analysis confirms the single crystalline ZnO wurtzite structure with presence of small intensity secondary phase related peak which disappear with increasing milling time for Ni doped samples. HRTEM lattice images show that the doped NPs are single crystalline with a dspacing of 2.44 Å. Energy-dispersive X-ray spectroscopy analysis confirms the presence of Ni ions in the ZnO matrix. Magnetic measurement (RT) exhibits the hysteresis loop with saturation magnetization (Ms) of 1.6-2.56 (emu/g) and coercive field (Hc) of 296-322 Oe. M-T measurement shows a Curie temperature of the order of 325°C for 3% Ni doped sample. Micro -Raman studies show doping/disorder induced additional modes at ˜510, 547, 572 cm-1 in addition to 437 cm-1 peak of pure ZnO. UV-Vis absorption spectra illustrate band gap shift due to doping. Alteration of Ms value with the variation of doping concentration and milling time has been studied and discussed.

Quantum dots coupled ZnO nanowire-array panels and their photocatalytic activities.

PubMed

Liao, Yulong; Que, Wenxiu; Zhang, Jin; Zhong, Peng; Yuan, Yuan; Qiu, Xinku; Shen, Fengyu

2013-02-01

Fabrication and characterization of a heterojunction structured by CdS quantum dots@ZnO nanowire-array panels were presented. Firstly, ZnO nanowire-array panels were prepared by using a chemical bath deposition approach where wurtzite ZnO nanowires with a diameter of about 100 nm and 3 microm in length grew perpendicularly to glass substrate. Secondly, CdS quantum dots were deposited onto the surface of the ZnO nanowire-arrays by using successive ion layer absorption and reaction method, and the CdS shell/ZnO core heterojunction were thus obtained. Field emission scanning electron microscopy and transmission electron microscope were employed to characterize the morphological properties of the as-obtained CdS quantum dots@ZnO nanowire-array panels. X-ray diffraction was adopted to characterize the crystalline properties of the as-obtained CdS quantum dots@ZnO nanowire-array panels. Methyl orange was taken as a model compound to confirm the photocatalytic activities of the CdS shell/ZnO core heterojunction. Results indicate that CdS with narrow band gap not only acts as a visible-light sensitizer but also is responsible for an effective charge separation.

Effect of time varying phosphorus implantation on optoelectronics properties of RF sputtered ZnO thin-films

NASA Astrophysics Data System (ADS)

Murkute, Punam; Ghadi, Hemant; Saha, Shantanu; Chavan, Vinayak; Chakrabarti, Subhananda

2018-03-01

ZnO has potential application in the field of short wavelength devices like LED's, laser diodes, UV detectors etc, because of its wide band gap (3.34 eV) and high exciton binding energy (60 meV). ZnO possess N-type conductivity due to presence of defects arising from oxygen and zinc interstitial vacancies. In order to achieve P-type or intrinsic carrier concentration an implantation study is preferred. In this report, we have varied phosphorous implantation time and studied its effect on optical as well structural properties of RF sputtered ZnO thin-films. Implantation was carried out using Plasma Immersion ion implantation technique for 10 and 20 s. These films were further annealed at 900°C for 10 s in oxygen ambient to activate phosphorous dopants. Low temperature photoluminescence (PL) spectra measured two distinct peaks at 3.32 and 3.199 eV for 20 s implanted sample annealed at 900°C. Temperature dependent PL measurement shows slightly blue shift in peak position from 18 K to 300 K. 3.199 eV peak can be attributed to donoracceptor pair (DAP) emission and 3.32 eV peak corresponds to conduction-band-to-acceptor (eA0) transition. High resolution x-ray diffraction revels dominant (002) peak from all samples. Increasing implantation time resulted in low peak intensity suggesting a formation of implantation related defects. Compression in C-axis with implantation time indicates incorporation of phosphorus in the formed film. Improvement in surface quality was observed from 20 s implanted sample which annealed at 900°C.

X-ray photoelectron spectroscopy investigations of band offsets in Ga0.02Zn0.98O/ZnO heterojunction for UV photodetectors

NASA Astrophysics Data System (ADS)

Singh, Karmvir; Rawal, Ishpal; Punia, Rajesh; Dhar, Rakesh

2017-10-01

Here, we report the valence and conduction band offset measurements in pure ZnO and the Ga0.02Zn0.98O/ZnO heterojunction by X-Ray photoelectron spectroscopy studies for UV photodetector applications. For detailed investigations on the band offsets and UV photodetection behavior of Ga0.02Zn0.98O/ZnO heterostructures, thin films of pristine ZnO, Ga-doped ZnO (Ga0.02Zn0.98O), and heterostructures of Ga-doped ZnO with ZnO (Ga0.02Zn0.98O/ZnO) were deposited using a pulsed laser deposition technique. The deposited thin films were characterized by X-ray diffraction, atomic force microscopy, and UV-Vis spectroscopy. X-ray photoelectron spectroscopy studies were carried out on all the thin films for the investigation of valence and conduction band offsets. The valence band was found to be shifted by 0.28 eV, while the conduction band has a shifting of -0.272 eV in the Ga0.02Zn0.98O/ZnO heterojunction as compared to pristine ZnO thin films. All the three samples were analyzed for photoconduction behavior under UVA light of the intensity of 3.3 mW/cm2, and it was observed that the photoresponse of pristine ZnO (19.75%) was found to increase with 2 wt. % doping of Ga (22.62%) and heterostructured thin films (29.10%). The mechanism of UV photodetection in the deposited samples has been discussed in detail, and the interaction of chemisorbed oxygen on the ZnO surface with holes generated by UV light exposure has been the observed mechanism for the change in electrical conductivity responsible for UV photoresponse on the present deposited ZnO films.

Structural and optical properties of ZnO thin films prepared by RF sputtering at different thicknesses

NASA Astrophysics Data System (ADS)

Hammad, Ahmed H.; Abdel-wahab, M. Sh.; Vattamkandathil, Sajith; Ansari, Akhalakur Rahman

2018-07-01

Hexagonal nanocrystallites of ZnO in the form of thin films were prepared by radio frequency sputtering technique. X-ray diffraction analysis reveals two prominent diffraction planes (002) and (103) at diffraction angles around 34.3 and 62.8°, respectively. The crystallite size increases through (103) plane from 56.1 to 64.8 Å as film thickness changed from 31 nm up to 280 nm while crystallites growth through (002) increased from 124 to 136 Å as film thickness varies from 31 to 107 nm and dropped to 115.8 Å at thickness 280 nm. The particle shape changes from spherical to longitudinal form. The particle size is 25 nm for films of thickness below 107 nm and increases at higher thicknesses (134 and 280 nm) from 30 to 40 nm, respectively. Optical band gap is deduced to be direct with values varied from 3.22 to 3.28 eV and the refractive index are evaluated based on the optical band values according to Moss, Ravindra-Srivastava, and Dimitrov-Sakka models. All refractive index models gave values around 2.3.

Structural, optical and NO2 gas sensing properties of ZnMgO thin films prepared by the sol gel method

NASA Astrophysics Data System (ADS)

Chebil, W.; Boukadhaba, M. A.; Madhi, I.; Fouzri, A.; Lusson, A.; Vilar, C.; Sallet, V.

2017-01-01

In this present work, ZnO and ZnMgO thin films prepared by a sol-gel process were deposited on glass substrates via spin coating technique. The structural, morphological and optical properties of the obtained films were investigated. X-ray diffraction study revealed that all layers exhibit a hexagonal wurtzite structure without any secondary phase segregation. The atomic force microscopy (AFM) depicts that the grains size of ours samples decreases as magnesium content increases. The absorption spectra obtained on ZnMgO thin films show a band gap tuning from 3.19 to 3.36 eV, which is also consistent with blue shifting of near-band edge PL emission, measured at low temperature. The incorporated amount of magnesium was calculated and confirmed by EDX. The gas sensing performances were tested in air containing NO2 for different operating temperatures. The experimental result exhibited that ZnMgO sensors shows a faster response and recovery time than the ZnO thin films. The resistivity and the sensor response as function of Mg content were also investigated.

Nanostructure based EO/IR sensor development for homeland security applications

NASA Astrophysics Data System (ADS)

Sood, Ashok K.; Welser, Roger E.; Sood, Adam W.; Puri, Yash R.; Manzur, Tariq; Dhar, Nibir K.; Polla, Dennis L.; Wang, Zhong L.; Wijewarnasuriya, Priyalal S.; Anwar, A. F. M.

2011-06-01

Next Generation EO/IR focal plane arrays using nanostructure materials are being developed for a variety of Defense and Homeland Security Sensor Applications. Several different nanomaterials are being evaluated for these applications. These include ZnO nanowires, GaN Nanowires and II-VI nanowires, which have demonstrated large signal to noise ratio as a wide band gap nanostructure material in the UV band. Similarly, the work is under way using Carbon Nanotubes (CNT) for a high speed detector and focal plane array as two-dimensional array as bolometer for IR bands of interest, which can be implemented for the sensors for homeland security applications. In this paper, we will discuss the sensor design and model predicting performance of an EO/IR focal plane array and Sensor that can cover the UV to IR bands of interest. The model can provide a robust means for comparing performance of the EO/IR FPA's and Sensors that can operate in the UV, Visible-NIR (0.4- 1.8μ), SWIR (2.0-2.5μ), MWIR (3-5μ), and LWIR bands (8-14μ). This model can be used as a tool for predicting performance of nanostructure arrays under development. We will also discuss our results on growth and characterization of ZnO nanowires and CNT's for the next generation sensor applications. We also present several approaches for integrated energy harvesting using nanostructure based solar cells and Nanogenerators that can be used to supplement the energy required for nanostructure based sensors.

Nanostructured Semiconductor Electrodes for Solar Energy Conversion and Innovations in Undergraduate Chemical Lab Curriculum

NASA Astrophysics Data System (ADS)

Lee, Sudarat

This dissertation presents the methodology and discussion of preparing nanostructured, high aspect ratio p-type phosphide-based binary and ternary semiconductors via "top-down" anodic etching, a process which creates nanostructures from a large parent entity, and "bottom-up" vapor-liquid-solid growth, a mechanism which builds up small clusters of molecules block-by-block. Such architecture is particularly useful for semiconducting materials with incompatible optical absorption depth and charge carrier diffusion length, as it not only relaxes the requirement for high-grade crystalline materials, but also increases the carrier collection efficiencies for photons with energy greater than or equal to the band gap. The main focus of this dissertation is to obtain nanostructured p-type phosphide semiconductors for photoelectrochemical (PEC) cell applications. Chapter II in the thesis describes a methodology for creating high-aspect ratio p-GaP that function as a photocathode under white light illumination. Gallium phosphide (GaP, band gap: 2.26 eV) is a suitable candidate for solar conversion and energy storage due to its ability to generate large photocurrent and photovoltage to drive fuel-forming reactions. Furthermore, the band edge positions of GaP can provide sufficient kinetics for the reduction of protons and carbon dioxide. The structure is prepared by anodic etching, and the resulting macroporous structures are subsequently doped with Zn by thermally driving in Zn from conformal ZnO films prepared by atomic layer deposition (ALD). The key finding of this work is a viable doping strategy involving ALD ZnO films for making functioning p-type GaP nanostructures. Chapter III compares the GaP nanowires grown from gold (Au) and tin (Sn) VLS catalysts in a benign solid sublimation growth scheme in terms of crystal structure and photoactivity. Sn is less noble than Au, allowing complete removal of Sn metal catalysts from the nanowires through wet chemical etching which found to be useful for subsequent thermal diffusion p-type doping without fear of contaminations like Au. The main finding of this work is Sn-seeded GaP nanowires although Sn was removed without any residues and the nanowires had less twin defects than Au-seeded GaP, the nanowires were degenerately n-doped. On the contrary, Au-seeded GaP nanowires exhibited n-type characteristics with orthogonalized light absorption and charge separation. Chapter IV describes the synthesis of zinc tin phosphide (ZSP), a ternary analog of GaP comprised of low-cost, earth-abundant elements in the nanowire form using Sn nanoparticles as the VLS growth seed. The as-prepared ZSP nanowire film is capable of sustaining stable cathodic photoresponse in aqueous electrolyte under white light illumination. The nanowires were crystalized in the stoichiometric sphalerite form and possessed a direct optical band gap of ˜ 1.5 eV instead of the chalcopyrite structure that has comparable band gap energy to GaP. The Sn nanoparticles acted as the VLS seed as well as Sn source for the ZnSnP 2 nanowires growth. Chapter V summarizes the progress and findings of p-GaP nanowire array films as well as a phase non-specific, persistent ALD dye attachment scheme that facilitates hole injection into p-GaP photocathodes, extending the photon absorption range beyond its band gap. Lastly, a separate work about undergraduate chemical education development is documented in Chapter VI of this thesis. Chapter VI details the efforts made in two distinct undergraduate laboratory coursework with the intention to introduce modern microfluidics and photovoltaic technologies including multidisciplinary research experience to the undergraduate students.

Luminescent Photoelectrochemical Cells. 4. Electroluminescent Properties of Undoped and Tellurium-Doped Cadmium Sulfide Electrodes.

DTIC Science & Technology

1980-12-03

and/or Dist Special UnclassifiLed 26CURITY CLAIICATION OrY,.g PAWEWO 000 Ss~w" Introduction Anunderstanding of electrochemistry at semiconductor...studies: Electrolyte species capable of hole injection into the valence bands of n-type, semiconducting T102 SrTi’ 3 , CdS ,GaP ’ ZnO ,and GaAs...the denominator of (4) by using the total current as a measure of holes injected. If equations (1) and (2) truly describe the electrochemistry at the

A hetero-homogeneous investigation of chemical bath deposited Ga-doped ZnO nanorods

NASA Astrophysics Data System (ADS)

Rakhsha, Amir Hosein; Abdizadeh, Hossein; Pourshaban, Erfan; Golobostanfard, Mohammad Reza

2018-01-01

One-dimensional nanostructures of zinc oxide (ZnO) have been in the center of attention, mostly for electronic applications due to their distinctive properties such as high electron mobility (100 cm2V-1s-1) and crystallinity. Thanks to its high density of vacancies and interstitial sites, wurtzite lattice of ZnO is a suitable host for gallium (Ga) as a dopant element. Herein, ZnO nanorod arrays (NRAs) are synthesized by a low-temperature chemical bath deposition (CBD) method with various concentrations of gallium nitrate hydrate as a dopant precursor. Structural and morphological analyses confirm that optimum properties of gallium-doped ZnO (GZO) are obtained at 1% (Ga to Zn molar ratio). Owing to the replacement of smaller Ga3+ ions with Zn2+ ions in the GZO structure, a slight shift of (002) peak to higher angles could be observed in XRD pattern of GZO NRAs. The scanning electron microscope images demonstrate a proliferation in the ZnO NRAs length from 650 nm for undoped ZnO (UZO) to 1200 nm for GZO-1%. However, increasing the dopant concentration above 2.5% results in formation of homogeneous zinc gallium oxide in the bulk solution, which is a sign of inefficient process of doping in GZO NRAs. Furthermore, photoluminescence spectroscopy is used to characterize the band-gap variation of the samples, which demonstrates a small red-shift in the UV emission peak and a decrease in visible emission peak intensity with introducing Ga in ZnO lattice. Lower resistivity for GZO-1% (1.1 MΩ) sample compared to UZO (1.4 MΩ) is recorded, which is compelling evidence for the presence of Ga3+ in ZnO lattice. The results suggest that incorporating Ga into ZnO lattice using CBD method is an easy and effective technique to improve the electrical properties of ZnO NRAs that is an essential factor for a broad range of devices.

Optical properties of zinc borotellurite glass doped with trivalent dysprosium ion

NASA Astrophysics Data System (ADS)

Ami Hazlin, M. N.; Halimah, M. K.; Muhammad, F. D.; Faznny, M. F.

2017-04-01

The zinc borotellurite doped with dysprosium oxide glass samples with chemical formula {[(TeO2) 0 . 7(B2O3) 0 . 3 ] 0 . 7(ZnO) 0 . 3 } 1 - x(Dy2O3)x (where x=0.01, 0.02, 0.03, 0.04 and 0.05 M fraction) were prepared by using conventional melt quenching technique. The structural and optical properties of the proposed glass systems were characterized by using X-ray diffraction (XRD) spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy, and UV-VIS spectroscopy. The amorphous nature of the glass systems is confirmed by using XRD technique. The infrared spectra of the glass systems indicate three obvious absorption bands which are assigned to BO3 and TeO4 vibrational groups. Based on the absorption spectra obtained, the direct and indirect optical band gaps, as well as the Urbach energy were calculated. It is observed that both the direct and indirect optical band gaps increase with the concentration of Dy3+ ions. On the other hand, the Urbach energy is observed to decrease as the concentration of Dy3+ ions increases.

Synthesis, structure, vapour pressure and deposition of ZnO thin film by plasma assisted MOCVD technique using a novel precursor bis[(pentylnitrilomethylidine) (pentylnitrilomethylidine-μ-phenalato)]dizinc(II)

NASA Astrophysics Data System (ADS)

Chandrakala, C.; Sravanthi, P.; Raj Bharath, S.; Arockiasamy, S.; George Johnson, M.; Nagaraja, K. S.; Jeyaraj, B.

2017-02-01

A novel binuclear zinc schiff's base complex bis[(pentylnitrilomethylidine)(pentylnitrilomethylidine-μ-phenalato)]dizinc(II) (hereafter referred as ZSP) was prepared and used as a precursor for the deposition of ZnO thin film by MOCVD. The dynamic TG run of ZSP showed sufficient volatility and good thermal stability. The temperature dependence of vapour pressure measured by transpiration technique yielded a value of 55.8 ± 2.3 kJ mol-1 for the enthalpy of sublimation (ΔH°sub) in the temperature range of 423-503 K. The crystal structure of ZSP was solved by single crystal XRD which exhibits triclinic crystal system with the space group of Pī. The molecular mass of ZSP was determined by mass spectrometry which yielded the m/z value of 891 and 445 Da corresponding to its dimeric as well as monomeric form. The complex ZSP was further characterized by FT-IR and NMR. The demonstration of ZnO thin film deposition was carried out by using plasma assisted MOCVD. The thin film XRD confirmed the highly oriented (002) ZnO thin films on Si(100) substrate. The uniformity and composition of the thin film were analyzed by SEM/EDX. The band gap of ZnO thin film measurement indicated the blue shift with the value of 3.79 eV.

Microwave-assisted synthesis of C-doped TiO2 and ZnO hybrid nanostructured materials as quantum-dots sensitized solar cells

NASA Astrophysics Data System (ADS)

Rangel-Mendez, Jose R.; Matos, Juan; Cházaro-Ruiz, Luis F.; González-Castillo, Ana C.; Barrios-Yáñez, Guillermo

2018-03-01

The microwave-assisted solvothermal synthesis of C-doped TiO2 and ZnO hybrid materials was performed. Saccharose, titanium isopropoxide and zinc acetate were used as organic and inorganic sources for the synthesis. The influence of temperature and reaction time on the textural and optoelectronic properties of the hybrid materials was verified. Carbon quantum-dots of TiO2 and ZnO nanostructured spheres were obtained in a second pot by controlled calcination steps of the precursor hybrid materials. A carefully characterization by adsorption-desorption N2 isotherms, XRD, XPS, SEM, UV-vis/DR and electro- and photo-electrochemistry properties of the carbon quantum-dots TiO2 and ZnO spheres was performed. The photoelectrochemical activity of TiO2-C and ZnO-C films proved to be dependent on the conditions of synthesis. It was found a red-shift in the energy band gap of the semiconductors with values of 3.02 eV and 3.13 eV for the TiO2-C and ZnO-C, respectively, clearly lower than those on bare semiconductors, which is associated with the C-doping effect. From the photo-electrochemistry characterization of C-doped TiO2 and ZnO films can be concluded that the present materials have potential applications as photoelectrodes for quantum-dots sensitized solar cells.

Large-scale uniform ZnO tetrapods on catalyst free glass substrate by thermal evaporation method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alsultany, Forat H., E-mail: foratusm@gmail.com; Hassan, Z.; Ahmed, Naser M.

2016-07-15

Highlights: • Investigate the growth of ZnO-Ts on glass substrate by thermal evaporation method. • Glass substrate without any catalyst or a seed layer. • The morphology was controlled by adjusting the temperature of the material and the substrate. • Glass substrate was placed vertically in the quartz tube. - Abstract: Here, we report for the first time the catalyst-free growth of large-scale uniform shape and size ZnO tetrapods on a glass substrate via thermal evaporation method. Three-dimensional networks of ZnO tetrapods have needle–wire junctions, an average leg length of 2.1–2.6 μm, and a diameter of 35–240 nm. The morphologymore » and structure of ZnO tetrapods were investigated by controlling the preparation temperature of each of the Zn powder and the glass substrate under O{sub 2} and Ar gases. Studies were carried out on ZnO tetrapods using X-ray diffraction, field emission scanning electron microscopy, UV–vis spectrophotometer, and a photoluminescence. The results showed that the sample grow in the hexagonal wurtzite structure with preferentially oriented along (002) direction, good crystallinity and high transmittance. The band gap value is about 3.27 eV. Photoluminescence spectrum exhibits a very sharp peak at 378 nm and a weak broad green emission.« less

Ethanol gas sensor based upon ZnO nanoparticles prepared by different techniques

NASA Astrophysics Data System (ADS)

Bhatia, Sonik; Verma, Neha; Bedi, R. K.

Nowadays, applications of nanosized materials have been an important issue in basic and applied sciences. In this investigation, Zinc Oxide (ZnO) nanoparticles were prepared by two different techniques (simple heat treatment, thermal evaporation-two zone furnaces). In order to control shape and size - ZnO nanoparticles prepared from heat treatment were used as a source for thermal evaporation method by using two zone split furnace by varying zone temperature (Zone 1-800 °C and Zone 2-400 °C). For both techniques 0.17 M of Zn acetate dihydrate is used as main precursor and film is deposited on glass substrate. Synthesized ZnO were characterized for XRD, FESEM, FTIR and UV-Vis spectrophotometer and LCR meter. XRD revealed hexagonal wurtzite structure with preferential orientation along (1 0 1) plane. FESEM observed that grain size in the range of range of ∼50 ± 5 nm. FTIR spectra showed that the peaks between 400 and 500 cm-1 for ZnO stretching modes. Optical properties has been studied and found that the observed band gap lies in the range of 3.32-3.36 eV. The higher value of capacitance is observed at lower frequency. Gas sensing properties showed the higher response in case of thermal evaporation as compared to simple heat treatment at an operating temperature of 250 °C.

Electrical characterization of ZnO/NiO p-n junction prepared by the sol-gel method

NASA Astrophysics Data System (ADS)

Merih Akyuzlu, A.; Dagdelen, Fethi; Gultek, Ahmet; Hendi, A. A.; Yakuphanoglu, Fahrettin

2017-04-01

ZnO and NiO films were synthesized on fluourine-doped tin oxide (FTO) glass substrate by the sol-gel method. The surface morphology of the films was investigated by atomic force microscopy. The optical band gaps of the ZnO and NiO films were found to be 3.198 and 3.827eV, respectively. A ZnO/NiO p-n junction diode was prepared and electrical charge transport mechanism of the diode was analyzed using thermionic emission and Norde functions. The ideality factor, barrier height and series resistance of the diode were determined to be 6.46, 1.036eV and 39.1 M {Ω} , respectively. The obtained results indicate that ZnO/NiO p-n junction can be used as transparent diode for optic communications.

Deep donor state of the copper acceptor as a source of green luminescence in ZnO

NASA Astrophysics Data System (ADS)

Lyons, J. L.; Alkauskas, A.; Janotti, A.; Van de Walle, C. G.

2017-07-01

Copper impurities have long been linked with green luminescence (GL) in ZnO. Copper is known to introduce an acceptor level close to the conduction band of ZnO, and the GL has conventionally been attributed to transitions involving an excited state which localizes holes on neighboring oxygen atoms. To date, a theoretical description of the optical properties of such deep centers has been difficult to achieve due to the limitations of functionals in the density functional theory. Here, we employ a screened hybrid density functional to calculate the properties of Cu in ZnO. In agreement with the experiment, we find that CuZn features an acceptor level near the conduction band of ZnO. However, we find that CuZn also gives rise to a deep donor level 0.46 eV above the valence band of ZnO; the calculated optical transitions involving this state agree well with the GL observed in ZnO:Cu.

Effects of humidity during formation of zinc oxide electron contact layers from a diethylzinc precursor solution

DOE PAGES

Mauger, Scott A.; Steirer, K. Xerxes; Boe, Jonas; ...

2016-01-19

Here, this work focuses on the role of humidity in the formation of ZnO thin films from a reactive diethylzinc precursor solution for use as the electron contact layer (ECL) in organic photovoltaic (OPV) devices. This method is well suited for flexible devices because the films are annealed at 120 °C, making the process compatible with polymer substrates. ZnO films were prepared by spin coating and annealing at different relative humidity (RH) levels. It is found that RH during coating and annealing affects the chemical and physical properties of the ZnO films. Using x-ray photoelectron spectroscopy it is found thatmore » increasing RH during the formation steps produces a more stoichiometric oxide and a higher Zn/O ratio. Spectroscopic ellipsometry data shows a small decrease in the optical band gap with increased humidity, consistent with a more stoichiometric oxide. Kelvin probe measurements show that increased RH during formation results in a larger work function (i.e. further from vacuum). Consistent with these data, but counter to what might be expected, when these ZnO films are used as ECLs in OPV devices those with ZnO ECLs processed in low RH (less stoichiometric) had higher power conversion efficiency than those with high-RH processed ZnO due to improved open-circuit voltage. The increase in open-circuit voltage with decreasing humidity was observed with two different donor polymers and fullerene acceptors, which shows the trend is due to changes in ZnO. The observed changes in open-circuit voltage follow the same trend as the ZnO work function indicating that the increase in open-circuit voltage with decreasing humidity is the result of improved energetics at the interface between the bulk-heterojunction and the ZnO layer due to a vacuum level shift.« less

Zinc oxide nanoparticles induce apoptosis and autophagy in human ovarian cancer cells

PubMed Central

Zhang, Guo-Liang; Huang, Yi-Fan; Gurunathan, Sangiliyandi

2017-01-01

Background Zinc oxide nanoparticles (ZnO NPs) are frequently used in industrial products such as paint, surface coating, and cosmetics, and recently, they have been explored in biologic and biomedical applications. Therefore, this study was undertaken to investigate the effect of ZnO NPs on cytotoxicity, apoptosis, and autophagy in human ovarian cancer cells (SKOV3). Methods ZnO NPs with a crystalline size of 20 nm were characterized with various analytical techniques, including ultraviolet-visible spectroscopy, X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, and atomic force microscopy. The cytotoxicity, apoptosis, and autophagy were examined using a series of cellular assays. Results Exposure of cells to ZnO NPs resulted in a dose-dependent loss of cell viability, and the characteristic apoptotic features such as rounding and loss of adherence, enhanced reactive oxygen species generation, and loss of mitochondrial membrane potential were observed in the ZnO NP-treated cells. Furthermore, the cells treated with ZnO NPs showed significant double-strand DNA breaks, which are gained evidences from significant number of γ-H2AX and Rad51 expressed cells. ZnO NP-treated cells showed upregulation of p53 and LC3, indicating that ZnO NPs are able to upregulate apoptosis and autophagy. Finally, the Western blot analysis revealed upregulation of Bax, caspase-9, Rad51, γ-H2AX, p53, and LC3 and downregulation of Bcl-2. Conclusion The study findings demonstrated that the ZnO NPs are able to induce significant cytotoxicity, apoptosis, and autophagy in human ovarian cells through reactive oxygen species generation and oxidative stress. Therefore, this study suggests that ZnO NPs are suitable and inherent anticancer agents due to their several favorable characteristic features including favorable band gap, electrostatic charge, surface chemistry, and potentiation of redox cycling cascades. PMID:28919752

Preparation of Zinc Oxide (ZnO) Thin Film as Transparent Conductive Oxide (TCO) from Zinc Complex Compound on Thin Film Solar Cells: A Study of O2 Effect on Annealing Process

NASA Astrophysics Data System (ADS)

Muslih, E. Y.; Kim, K. H.

2017-07-01

Zinc oxide (ZnO) thin film as a transparent conductive oxide (TCO) for thin film solar cell application was successfully prepared through two step preparations which consisted of deposition by spin coating at 2000 rpm for 10 second and followed by annealing at 500 °C for 2 hours under O2 and ambient atmosphere. Zinc acetate dehydrate was used as a precursor which dissolved in ethanol and acetone (1:1 mol) mixture in order to make a zinc complex compound. In this work, we reported the O2 effect, reaction mechanism, structure, morphology, optical and electrical properties. ZnO thin film in this work shows a single phase of wurtzite, with n-type semiconductor and has band gap, carrier concentration, mobility, and resistivity as 3.18 eV, 1.21 × 10-19cm3, 11 cm2/Vs, 2.35 × 10-3 Ωcm respectively which is suitable for TCO at thin film solar cell.

Photocatalytic activity of nanostructured ZnO-ZrO2 binary oxide using fluorometric method

NASA Astrophysics Data System (ADS)

Ibrahim, M. M.

2015-06-01

Evaluation of the photocatalytic activity of ZnO-ZrO2 nanomaterials using fluorescence based technique has rarely been reported. In the present work, ZnO-ZrO2 mixed oxides coupled with various ZnO dosages (0, 10, 30, 50, 70 wt%) were prepared by impregnation method. These nanomaterials were characterized by studying their structural, surface and optical properties. The photocatalytic activity in term of quantitative determination of the active oxidative species (radOH) produced on the surface of binary oxide was evaluated using fluorescent probe method. The interaction between ZnO and ZrO2 was affected on the photocatalytic efficiency of mixture. The results show that, the addition of ZnO to ZrO2 decreased the electron-hole recombination and increased the rate of radOH radicals formation. 50 wt% ZnO-ZrO2 photocatalyst exhibited much higher photocatalytic activity. The profound effect of binary oxide catalyst was generally considered due to the high surface area, small particle size, high monoclinic phase of ZrO2 content, low band gap and the presence of surface OH groups.

Structural and optical properties of chromium doped zinc oxide nanoparticles synthesized by sol-gel method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naqvi, Syed Mohd. Adnan, E-mail: adiaks2004@yahoo.co.in; Irshad, Kashif, E-mail: alig.kashif@gmail.com; Soleimani, Hassan, E-mail: hassan.soleimani@petronas.com.my, E-mail: noorhana-yahya@petronas.com.my

2014-10-24

Nanosized Cr-doped ZnO nano particles were synthesized by facile sol-gel auto combustion method. The structural and optical properties of Cr-doped ZnO nanoparticles have been investigated by XRD and UV-Vis spectroscopy at room temperature for 0% to 8% concentration. X-ray diffraction analysis reveals that the Cr-doped ZnO crystallizes in a single phase polycrystalline nature with wurtzite lattice. With every % of doping, the peaks are shifting scarcely and doping of Cr is possible up to 7%. After that, the last peak vanishes, that signifies its structure is transmuted from 8% doping. The average crystallite size decreases with increase in Cr concentrationmore » (i.e. 28.9 nm for 0% to 25.8 nm for 8%). The UV-Vis spectra of the nanoparticles betoken an incrementation in the band gap energy from 3.401, 3.415, 3.431, 3.437,3.453, 3.514,3.521, 3.530 and 3.538 eV respectively, for 0,1, 2, 3, 4, 5, 6, 7 and 8 % doping concentration.« less

Interfacial effect on the structural and optical properties of pure SnO2 and dual shells (ZnO; SiO2) coated SnO2 core-shell nanospheres for optoelectronic applications

NASA Astrophysics Data System (ADS)

Selvi, N.; Sankar, S.; Dinakaran, K.

2014-12-01

Nanocrystallites of SnO2 core and dual shells (ZnO, SiO2) coated SnO2 core-shell nanospheres were successfully synthesized by co-precipitation method. The as prepared and annealed samples were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), High resolution transmission electron microscopy (HRTEM) and UV-Vis analysis. XRD pattern confirms the obtained SnO2 core with tetragonal rutile crystalline structure and the shell ZnO with hexagonal structure. FTIR result shows the functional groups present in the samples. The spherical morphology and the formation of the core-shell structures have been confirmed by HRTEM measurements. The UV-Vis showed that band gap is red shifted for as-prepared and the shells coated core-shell samples. From this investigation it can be concluded that the surface modification with different metal and insulating oxides strongly influences the optical properties of the core-shell materials which enhance their potential applications towards optical devices fabrication.

Alteration of magnetic and optical properties of ultrafine dilute magnetic semiconductor ZnO:Co2+ nanoparticles.

PubMed

Sharma, Prashant K; Dutta, Ranu K; Pandey, Avinash C

2010-05-15

Single-phase ZnO:Co(2+) nanoparticles of mean size 2-8 nm were synthesized by a simple co-precipitation technique. X-ray diffraction analysis reveals that the Co-doped ZnO nanoparticles crystallize in wurtzite structure without any impurity phase. The wurtzite structure (lattice constants) of ZnO nanoparticles decrease slightly with increasing Co doping concentration. Optical absorption spectra show an increase in the band gap with increasing Co content and also give an evidence of the presence of Co(2+) ions at tetrahedral sites of ZnO and substituted for the Zn site with no evidence of metallic Co. Initially these nanoparticles showed strong ferromagnetic behavior at room temperature, however at higher doping percentage of Co(2+), the ferromagnetic behavior was suppressed, and antiferromagnetic nature was enhanced. The enhanced antiferromagnetic interaction between neighboring Co-Co ions suppressed the ferromagnetism at higher doping concentrations of Co(2+). Photoluminescence intensity owing to the vacancies varies with the Co concentration because of the increment of oxygen vacancies. Copyright © 2010 Elsevier Inc. All rights reserved.

Fabrication of high responsivity deep UV photo-detector based on Na doped ZnO nanocolumns

NASA Astrophysics Data System (ADS)

Agrawal, Jitesh; Dixit, Tejendra; Palani, I. A.; Ramachandra Rao, M. S.; Singh, Vipul

2018-05-01

We report a variety of the hydrothermally synthesized ZnO nanostructures with a significant suppression in defect-related emission and huge enhancement in the photo-current to the dark current ratio (approximately six orders of magnitude) upon UV light illumination. Interestingly, the photo-detector shows lower dark current of 1.6 nA with high responsivity of 507 A W‑1 at 254 nm. Here, a systematic analysis of the growth process as well as the physical, chemical and electrical properties of as-grown ZnO nanostructures has been performed. We have utilized the duo effect of both the inorganic (KMnO4) and organic (Na3C6H5O7) additives, which has facilitated the precise tuning of the morphology and intrinsic defects in nanostructures that have made an impact on the photo-responsivity, photoluminescence (PL) and adhesivity of the film on to the underlying substrate. PL analysis of as-grown ZnO nanostructures has suggested 11 times improvement in the near band emission (NBE) to defect level emission (DLE) ratio. Interestingly, thermal annealing of the samples has shown a dramatic change in the morphology with significant improvement in the crystallinity. Notably, the band gap was observed to be modulated from 3.3 eV to 3.1 eV after annealing. In addition to UV photo-detector based applications, the work presented here has provided a subtle solution towards the rectification of various problems pertaining to hydrothermal processes like poor adhesivity, feeble UV emission and problem in precise tuning of the morphology along with the bandgap in one go. Therefore, these investigations assume critical significance towards the development of next-generation optoelectronic devices.

Optical absorption and photoluminescence study of nanocrystalline Zn0.92M0.08O (M: Li & Gd)

NASA Astrophysics Data System (ADS)

Punia, Khushboo; Lal, Ganesh; Kumar, Sudhish

2018-05-01

Nanocrystalline samples of Zn0.92Li0.08O and Zn0.92Gd0.08O have been synthesized using citrate sol-gel route without post synthesis annealing and characterized using powder X-ray diffraction (XRD), UV-Vis-NIR and Photoluminescence spectroscopic measurements. Analysis of XRD pattern and PL spectra revealed single phase formation of the nanocrystalline Zn0.92Li0.08O and Zn0.92Gd0.08O in the wurtzite type hexagonal structure with intrinsic crystal and surface defects. UV-Vis-NIR optical absorption measurements show that the maximum photo absorption occurs below 600nm in the UV& visible band. The estimated values of band gap energy were found to be 2.53eV and 2.73eV for Zn0.92Li0.08O and Zn0.92Gd0.08O respectively. The photoluminescence spectra excited at the wavelength 325nm displays two broad peaks in the UV and visible bands centered at ˜416 nm & ˜602 nm for Zn0.92Gd0.08O and ˜406nm & ˜598nm for Zn0.92Li0.08O. Both Gd and Li doping in ZnO leads to considerable decrease in the optical band gap energy and red shifting of the UV emission band towards the visible band.

Spectral analysis of Cu 2+: B 2O 3-ZnO-PbO glasses

NASA Astrophysics Data System (ADS)

Lakshminarayana, G.; Buddhudu, S.

2005-11-01

A new series of heavy metal oxide (PbO) based zinc borate glasses in the chemical composition of (95 - x)B 2O 3-5ZnO- xPbO ( x = 10, 15, 20, 25, 30, 35, 40, 45 and 50 mol%) have been prepared to verify their UV filtering performance. Both direct and indirect optical band gaps ( Eopt) have been evaluated for these glasses. For a reference glass of 45B 2O 3-5ZnO-50PbO, refractive indices at different wavelengths are measured and found the results satisfactorily correlated with the theoretical data upon the computation of Cauchy's constants of A = 1.766029949, B = 159531.024 nm 2 and C = -1.078 × 10 10 nm 4. Measurements concerning X-ray diffraction (XRD), FT-IR, differential scanning colorimeter (DSC) profiles have been carried out for this glass. The FT-IR profile has revealed that the glass has both BO 3 and BO 4 units. From DSC thermogram, glass transition temperature ( Tg), crystallization temperature ( Tc) and melting temperature ( Tm) have been located and from them, other related parameters of the glass have also been calculated. Visible absorption spectra of 45B 2O 3-5ZnO-(50 - x)PbO- xCuO ( x = 0. 1, 0.2, 0.5 and 1.0 mol%) have revealed two absorption bands at around 400 nm ( 2B 1g → 2E g) and 780 nm ( 2B 1g → 2B 2g) of Cu 2+ ions, respectively. Emission bands at 422 and 512 nm are found for the 1 mol% CuO doped glass with excitations at 306 and 332 nm.

Synthesis and characterization of single-phase Mn-doped ZnO

NASA Astrophysics Data System (ADS)

Chattopadhyay, S.; Dutta, S.; Banerjee, A.; Jana, D.; Bandyopadhyay, S.; Chattopadhyay, S.; Sarkar, A.

2009-05-01

Different samples of Zn 1-xMn xO series have been prepared using conventional solid-state sintering method. We identified up to what extent doping will enable us to synthesize single-phase polycrystalline Mn-doped ZnO sample, which is one of the prerequisites for dilute magnetic semiconductor, and we have analyzed its some other physical aspects. In synthesizing the samples, proportion of Mn varies from 1 to 5 at%. However, the milling time varied (6, 12, 24, 48 and 96 h) only for 2 at% Mn-doped samples while for other samples (1, 3, 4 and 5 at% Mn doped) the milling time has been fixed to 96 h. Room-temperature X-ray diffraction (XRD) data reveal that all of the prepared samples up to 3 at% of Mn doping exhibit wurtzite-type structure, and no segregation of Mn and/or its oxides has been found. The 4 at% Mn-doped samples show a weak peak of ZnMn 2O 4 apart from the other usual peaks of ZnO and the intensity of this impurity peak has been further increased for 5 at% of Mn doping. So beyond 3 at% doping, single-phase behavior is destroyed. Band gap for all the 2 at% Mn-doped samples has been estimated to be between 3.21 and 3.19 eV and the reason for this low band gap values has been explained through the grain boundary trapping model. The room-temperature resistivity measurement shows an increase of resistivity up to 48 h of milling and with further milling it saturates. The defect state of these samples has been investigated using the positron annihilation lifetime (PAL) spectroscopy technique. Here all the relevant lifetime parameters of positron i.e. free annihilation ( τ1) at defect site ( τ2) and average ( τav) increases with milling time.

Controlled Defects of Fluorine-incorporated ZnO Nanorods for Photovoltaic Enhancement

PubMed Central

Lee, Hock Beng; Ginting, Riski Titian; Tan, Sin Tee; Tan, Chun Hui; Alshanableh, Abdelelah; Oleiwi, Hind Fadhil; Yap, Chi Chin; Jumali, Mohd Hafizuddin Hj.; Yahaya, Muhammad

2016-01-01

Anion passivation effect on metal-oxide nano-architecture offers a highly controllable platform for improving charge selectivity and extraction, with direct relevance to their implementation in hybrid solar cells. In current work, we demonstrated the incorporation of fluorine (F) as an anion dopant to address the defect-rich nature of ZnO nanorods (ZNR) and improve the feasibility of its role as electron acceptor. The detailed morphology evolution and defect engineering on ZNR were studied as a function of F-doping concentration (x). Specifically, the rod-shaped arrays of ZnO were transformed into taper-shaped arrays at high x. A hypsochromic shift was observed in optical energy band gap due to the Burstein-Moss effect. A substantial suppression on intrinsic defects in ZnO lattice directly epitomized the novel role of fluorine as an oxygen defect quencher. The results show that 10-FZNR/P3HT device exhibited two-fold higher power conversion efficiency than the pristine ZNR/P3HT device, primarily due to the reduced Schottky defects and charge transfer barrier. Essentially, the reported findings yielded insights on the functions of fluorine on (i) surface –OH passivation, (ii) oxygen vacancies (Vo) occupation and (iii) lattice oxygen substitution, thereby enhancing the photo-physical processes, carrier mobility and concentration of FZNR based device. PMID:27587295

Experimental study on structural, optoelectronic and room temperature sensing performance of Nickel doped ZnO based ethanol sensors

NASA Astrophysics Data System (ADS)

Sudha, M.; Radha, S.; Kirubaveni, S.; Kiruthika, R.; Govindaraj, R.; Santhosh, N.

2018-04-01

Nano crystalline undoped (1Z) Zinc Oxide (ZnO) and 5, 10 and 15 Wt. % (1ZN, 2ZN and 3ZN) of Nickel doped ZnO based sensors were fabricated using the hydrothermal approach on Fluorine doped Tin Oxide (FTO) glass substrates. X-ray diffraction (XRD) analysis proved the hexagonal Wurtzite structure of ZnO. Parametric variations in terms of dislocation density, bond length, lattice parameters and micro strain with respect to dopant concentration were analysed. The prominent variations in the crystallite size, optical band gap and Photoluminescence peak ratio of devices fabricated was observed. The Field Emission Scanning Electron Microscope (FESEM) images showed a change in diameter and density of the nanorods. The effect of the operating temperature, concentration of ethanol and the different doping levels of sensitivity, response and recovery time were investigated. It was inferred that 376% of sensitivity with a very quick response and recovery time of <5 s and 10 s respectively at 150 °C of 3ZN sensor has better performance compared to other three sensors. Also 3ZN sensor showed improved sensitivity of 114%, even at room temperature with response and recovery time of 35 s and 45 s respectively.

Piezoelectric and opto-electrical properties of silver-doped ZnO nanorods synthesized by low temperature aqueous chemical method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nour, E. S., E-mail: eiman.satti.osman@liu.se; Echresh, A.; Willander, M.

2015-07-15

In this paper, we have synthesized Zn{sub 1−x}Ag{sub x}O (x = 0, 0.03, 0.06, and 0.09) nanorods (NRs) via the hydrothermal method at low temperature on silicon substrate. The characterization and comparison between the different Zn{sub 1−x}Ag{sub x}O samples, indicated that an increasing Ag concentration from x = 0 to a maximum of x = 0.09; All samples show a preferred orientation of (002) direction with no observable change of morphology. As the quantity of the Ag dopant was changed, the transmittances, as well as the optical band gap were decreased. X-ray photoelectron spectroscopy data clearly indicate the presence ofmore » Ag in ZnO crystal lattice. A nanoindentation-based technique was used to measure the effective piezo-response of different concentrations of Ag for both direct and converse effects. The value of the piezoelectric coefficient (d{sub 33}) as well as the piezo potential generated from the ZnO NRs and Zn{sub 1−x}Ag{sub x}O NRs was found to decrease with the increase of Ag fraction. The finding in this investigation reveals that Ag doped ZnO is not suitable for piezoelectric energy harvesting devices.« less

3D imaging of intrinsic crystalline defects in zinc oxide by spectrally resolved two-photon fluorescence microscopy

NASA Astrophysics Data System (ADS)

Al-Tabich, A.; Inami, W.; Kawata, Y.; Jablonski, R.; Worasawat, S.; Mimura, H.

2017-05-01

We present a method for three-dimensional intrinsic defect imaging in zinc oxide (ZnO) by spectrally resolved two-photon fluorescence microscopy, based on the previously presented method of observing a photoluminescence distribution in wide-gap semiconductor crystals [Noor et al., Appl. Phys. Lett. 92(16), 161106 (2008)]. A tightly focused light beam radiated by a titanium-sapphire laser is used to obtain a two-photon excitation of selected area of the ZnO sample. Photoluminescence intensity of a specific spectral range is then selected by optical band pass filters and measured by a photomultiplier tube. Reconstruction of the specimen image is done by scanning the volume of interest by a piezoelectric positioning stage and measuring the spectrally resolved photoluminescence intensity at each point. The method has been proved to be effective at locating intrinsic defects of the ZnO crystalline structure in the volume of the crystal. The method was compared with other defect imaging and 3D imaging techniques like scanning tunneling microscopy and confocal microscopy. In both cases, our method shows superior penetration abilities and, as the only method, allows location of the defects of the chosen type in 3D. In this paper, we present the results of oxygen vacancies and zinc antisites imaging in ZnO nanorods.

Growth of Well-Aligned ZnO Nanorod Arrays and Their Application for Photovoltaic Devices

NASA Astrophysics Data System (ADS)

Yuan, Zhaolin; Yao, Juncai

2017-11-01

We have fabricated well-aligned ZnO nanorod arrays (ZNRAs) on indium tin oxide-coated glass substrates by a facile chemical bath deposition method. We used field-emission scanning electron microscope, x-ray diffraction and UV-Vis absorption spectroscopy to study the morphology, crystalline structure and optical absorption of the fabricated ZNRAs, respectively. The results showed that ZnO nanorods stood almost perpendicularly on the substrate, were about 30-50 nm in diameter and 800-900 nm in length, and were wurtzite-structured (hexagonal) ZnO. In addition, well-aligned ZNRAs exhibited a weak absorption in the visible region and had an optical band gap value of 3.28 eV. Furthermore, a hybrid ZNRAs/polymer photovoltaic device was made, under 1 sun AM 1.5 illumination (light intensity, ˜100 mW/cm2), and the device showed an open circuit voltage ( V oc) of 0.32 V, a short circuit current density ( J sc) of 7.67 mA/cm2, and a fill factor ( FF) of 0.37, yielding an overall power conversion efficiency of 0.91%. Also, the exciton dissociation and transportation processes of charge carriers in the device under illumination were explained according to its current density-voltage ( J- V) curve and the energy level diagram.

Fabrication of green dye-sensitized solar cell based on ZnO nanoparticles as a photoanode and graphene quantum dots as a photo-sensitizer.

PubMed

Zamiri, Golnoush; Bagheri, Samira

2018-02-01

Zero-dimensional graphene quantum dots (GQDs) consist of single- or few-layer graphene with a size less than 20 nm and stand for a new type of QDs with unique properties combining the graphene nature and size-resulted quantum effects. GQDs possess unique optical and electronic properties, and in particular possess a band-gap less than 2.0 eV because of quantum confinement and edge effects. In this study, we investigated the performance of DSSCs using different thicknesses of ZnO nanoparticles as a photo-anode and GQDs as a green photosensitizer. The current voltage (I-V) test results indicate that the performance of DSSCs is improved by increasing the thickness of the photo-anode and the thickness of 40 μm shows the highest efficiency for DSSC device based on ZnO nanoparticles photo-anodes. The DSSC using ZnO nanoparticles as a photo-anode with thickness of 40 μm shows almost same efficiency when we replaced N-719 with GQDs which is confirmed that using GQDs as an alternative to ruthenium based dyes is a new approach for DSSCs. Copyright © 2017 Elsevier Inc. All rights reserved.

Bio-inspired ZnO nanoparticles from Ocimum tenuiflorum and their in vitro antioxidant activity

NASA Astrophysics Data System (ADS)

Sushma, N. John; Mahitha, B.; Mallikarjuna, K.; Raju, B. Deva Prasad

2016-05-01

Nanobiotechnology is emerging as a rapid growing field with its applications in nanoscience and technology for the purpose of built-up new materials at the nanoregime. Nanoparticles produced by plant extracts are more stable, and the rate of synthesis is faster than that in the case of other organisms. In this paper we report the biosynthesis of zinc oxide nanoparticles (ZnO NPs). Structural, morphological, particle size, and optical properties of the synthesized nanoparticles have been characterized by using UV-Vis spectroscopy, Fourier transform infrared spectroscopy, field emission scanning electron microscope, energy-dispersive X-ray spectroscopy, atomic-force microscopy, zeta potential, X-ray diffraction, and photoluminescence intensity. The UV-Vis spectrum showed an absorption peak at 380 nm that reflects surface plasmon resonance. The optical measurements were attributed to the band gap 3.19 eV at pH 12. The zeta potential value of -36.4 eV revealed the surface charge of green synthesized ZnO NPs. The antioxidant activity was estimated by both 1,1-diphenyl-2-picrylhydrazyl and reducing power assay. Green synthesized ZnO NPs showed maximum inhibition (65.23 %) and absorbance (0.6 a.u). This approach offers environmentally beneficial alternative by eliminating hazardous chemicals and promotes pollution prevention by the production of nanoparticles in their natural environment.

Enhancement of external quantum efficiency and quality of heterojunction white LEDs by varying the size of ZnO nanorods.

PubMed

Bano, N; Hussain, I; Sawaf, S; Alshammari, Abeer; Saleemi, F

2017-06-16

The size of ZnO nanorods (NRs) plays an important role in tuning the external quantum efficiency (EQE) and quality of light generated by white light emitting diodes (LEDs). In this work, we report on the enhancement of EQE and the quality of ZnO NR-based hetrojunction white LEDs fabricated on a p-GaN substrate using a low temperature solution method. Cathodoluminescence spectra demonstrate that ultraviolet (UV) emission decreases and visible deep band emission increases with an increase in the length of the ZnO NRs. The UV emission could be internally reabsorbed by the ZnO NR excitation, thus enhancing the emission intensity of the visible deep band. Photocurrent measurements validated the fact that the EQE depends on the size of ZnO NRs, increasing by 87% with an increase in the length of the ZnO NRs. Furthermore, the quality of white light was measured and clearly indicated an increase in the color rendering indices of the LEDs with an increase in the length of the ZnO NRs, confirming that the quality of light generated by LEDs can be tuned by varying the length of the ZnO NRs. These results suggest that the EQE and visible deep band emission from n-ZnONRs/p-GaN heterojunction LEDs can be effectively controlled by adjusting the length of the ZnO NRs, which can be useful for realizing tunable white LEDs.

Enhancement of external quantum efficiency and quality of heterojunction white LEDs by varying the size of ZnO nanorods

NASA Astrophysics Data System (ADS)

Bano, N.; Hussain, I.; Sawaf, S.; Alshammari, Abeer; Saleemi, F.

2017-06-01

The size of ZnO nanorods (NRs) plays an important role in tuning the external quantum efficiency (EQE) and quality of light generated by white light emitting diodes (LEDs). In this work, we report on the enhancement of EQE and the quality of ZnO NR-based hetrojunction white LEDs fabricated on a p-GaN substrate using a low temperature solution method. Cathodoluminescence spectra demonstrate that ultraviolet (UV) emission decreases and visible deep band emission increases with an increase in the length of the ZnO NRs. The UV emission could be internally reabsorbed by the ZnO NR excitation, thus enhancing the emission intensity of the visible deep band. Photocurrent measurements validated the fact that the EQE depends on the size of ZnO NRs, increasing by 87% with an increase in the length of the ZnO NRs. Furthermore, the quality of white light was measured and clearly indicated an increase in the color rendering indices of the LEDs with an increase in the length of the ZnO NRs, confirming that the quality of light generated by LEDs can be tuned by varying the length of the ZnO NRs. These results suggest that the EQE and visible deep band emission from n-ZnONRs/p-GaN heterojunction LEDs can be effectively controlled by adjusting the length of the ZnO NRs, which can be useful for realizing tunable white LEDs.

Novel synthesis and structural analysis of zinc oxide nanoparticles for the non enzymatic glucose biosensor.

PubMed

Dayakar, T; Venkateswara Rao, K; Bikshalu, K; Rajendar, V; Park, Si-Hyun

2017-06-01

A non-enzymatic glucose biosensor was developed by utilizing the zinc oxide nanoparticles (ZnO NPs) synthesized by a novel green method using the leaf extract of Ocimum tenuiflorum. The structural, optical and morphological properties of ZnO NPs characterized by means of X-ray diffraction (XRD), ultraviolet-visible (UV-vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray (EDAX) spectroscopy, and transmission electron microscopy (TEM). The XRD analysis revealed that the ZnO NPs were crystalline and had a hexagonal wurtzite structure. The crystallite size measured by XRD was the same as that measured using SEM and TEM. The UV-vis absorption spectrum estimates the band gap of ZnO NPs present in the range of 2.82 to 3.45eV. The reduction and formation of ZnO NPs mainly due to the involvement of leaf extract bio-molecular compounds analyzed from the FTIR spectra. The SEM result confirms the morphology of the NPs responsible from the various concentration of leaf extract in the synthesis process. HRTEM analysis depicts the spherical structure of ZnO NPs. The synthesized NPs have the average size ranges from 10 to 20nm. The fabricated GCE/ZnO glucose sensor represents superior electro catalytic activity that has been observed for ZnO NPs with a reproducible sensitivity of 631.30μAmM -1 cm -2 , correlation coefficient of R=0.998, linear dynamic range from 1-8.6mM, low detection limit of 0.043μM (S/N=3) and response time<4s. Copyright © 2017 Elsevier B.V. All rights reserved.

Investigation of the structural, optical and electrical transport properties of n-doped CdSe thin films

NASA Astrophysics Data System (ADS)

Ali, H. M.; Abd El-Ghanny, H. A.

2008-04-01

Thin films of (CdSe)90(In2O3)10, (CdSe)90(SnO2)10 and (CdSe)90(ZnO)10 have been grown on glass substrates by the electron beam evaporation technique. It has been found that undoped and Sn or In doped CdSe films have two direct transitions corresponding to the energy gaps Eg and Eg+Δ due to spin-orbit splitting of the valence band. The electrical resistivity for n-doped CdSe thin films as a function of light exposure time has been studied. The influence of doping on the structural, optical and electrical characteristics of In doped CdSe films has been investigated in detail. The lattice parameters, grain size and dislocation were determined from x-ray diffraction patterns. The optical transmittance and band gap of these films were determined using a double beam spectrophotometer. The DC conductivity of the films was measured in vacuum using a two-probe technique.

Carbon kagome lattice and orbital-frustration-induced metal-insulator transition for optoelectronics.

PubMed

Chen, Yuanping; Sun, Y Y; Wang, H; West, D; Xie, Yuee; Zhong, J; Meunier, V; Cohen, Marvin L; Zhang, S B

2014-08-22

A three-dimensional elemental carbon kagome lattice, made of only fourfold-coordinated carbon atoms, is proposed based on first-principles calculations. Despite the existence of 60° bond angles in the triangle rings, widely perceived to be energetically unfavorable, the carbon kagome lattice is found to display exceptional stability comparable to that of C(60). The system allows us to study the effects of triangular frustration on the electronic properties of realistic solids, and it demonstrates a metal-insulator transition from that of graphene to a direct gap semiconductor in the visible blue region. By minimizing s-p orbital hybridization, which is an intrinsic property of carbon, not only the band edge states become nearly purely frustrated p states, but also the band structure is qualitatively different from any known bulk elemental semiconductors. For example, the optical properties are similar to those of direct-gap semiconductors GaN and ZnO, whereas the effective masses are comparable to or smaller than those of Si.

Synthesis and different optical properties of Gd2O3 doped sodium zinc tellurite glasses

NASA Astrophysics Data System (ADS)

Samanta, Buddhadev; Dutta, Dibakar; Ghosh, Subhankar

2017-06-01

A series of Gd2O3 doped sodium zinc tellurite [xGd2O3-(0.8-x) TeO2-0.1Na2O-0.1ZnO] glasses are prepared by the conventional melt quenching method and their optical properties have been studied. UV-vis spectrophotometric studies within the wavelength range from 230 nm-800 nm are carried out in the integrating sphere mode to study the effect of Gd2O3 doping on the optical band gap (Eg), refractive index (n), dielectric constant (εr) and susceptibility (χ). Other physical properties like molar volume, molar refraction, polarizability, metallization criterion, number density of rare-earth ions (N), polaron radius (rp), inter ionic distance (ri), molar cation polarizability (∑αi), number of oxide ions in chemical composition (NO2-), optical band gap based electronic oxide ion polarizability (αO2-) and optical basicity (Λ) of glass samples have been studied on the basis of UV-vis spectra and density profile of the different glasses.

Preparation and characterization of a poly (1, 4-phenylenevinylene) derivative-based hybrid thin film nanocomposites with enhanced performance

NASA Astrophysics Data System (ADS)

Belhaj, Marwa; Jemmeli, Dhouha; Dridi, Cherif; Ben Salem, Balkiss; Jaballah, Najmeddine; Majdoub, Mustapha; Yatskiv, Roman; Grym, Jan

2018-05-01

In this study, a poly (1, 4-phenylenevinylene) derivative (PPV-C6) was synthesized via Gilch polycondensation, and its electrochemical and optical characteristics were determined by cyclic voltammetry analysis, ultraviolet-visible, and photoluminescence spectroscopy. The polymer exhibited semiconductor behavior with an optical band gap of about 2.02 eV. Thin-film hybrid nanocomposites were prepared based on PPV-C6 with a large range of concentrations of sol-gel synthesized surfactant-free ZnO nanoparticles (n-ZnO). We investigated the photophysical properties of nanocomposites with different weight ratios of n-ZnO. The optical absorption spectra of PPV-C6: n-ZnO nanocomposites exhibited moderate variation in terms of the optical band gap energy with respect to the pristine polymer. Photoluminescence spectra indicated that the optimum n-ZnO concentration was about 50 wt% to achieve photoluminescence quenching, which corresponded to the most homogeneous surface and efficient charge transfer due to optimal exciton dissociation. We established good correlations between the investigated properties.

Interacting quasi-band theory for electronic states in compound semiconductor alloys: Wurtzite structure

NASA Astrophysics Data System (ADS)

Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

2016-05-01

This paper reports on the electronic states of compound semiconductor alloys of wurtzite structure calculated by the recently proposed interacting quasi-band (IQB) theory combined with empirical sp3 tight-binding models. Solving derived quasi-Hamiltonian 24 × 24 matrix that is characterized by the crystal parameters of the constituents facilitates the calculation of the conduction and valence bands of wurtzite alloys for arbitrary concentrations under a unified scheme. The theory is applied to III-V and II-VI wurtzite alloys: cation-substituted Al1- x Ga x N and Ga1- x In x N and anion-substituted CdS1- x Se x and ZnO1- x S x . The obtained results agree well with the experimental data, and are discussed in terms of mutual mixing between the quasi-localized states (QLS) and quasi-average bands (QAB): the latter bands are approximately given by the virtual crystal approximation (VCA). The changes in the valence and conduction bands, and the origin of the band gap bowing are discussed on the basis of mixing character.

Excitons and photoluminescence in ZnO and Zn0.99Mn0.01O nanocrystals

NASA Astrophysics Data System (ADS)

Gruzdev, N. B.; Sokolov, V. I.; Ermakov, A. E.; Uimin, M. A.; Mysik, A. A.; Pustovarov, V. A.

2010-08-01

The photoluminescence and photoluminescence excitation spectra for Zn1- x Mn x O nanocrystals are presented. After annealing of powders in air, the intensity of the bands attributable to manganese decreases noticeably. This suggests that the oxygen vacancies affect the Zhang-Rice-like states appearing due to strong d- p-hybridization, which is confirmed by an increase in the band gap of Zn1- x Mn x O for low x. The origin of the 2.9-eV peak and the shape of its excitation spectrum are discussed qualitatively. For Zn1- x Mn x O nanocrystals, the shape of the excitation spectrum is as unusual as the intense absorption in the range (2.2-3.0) eV.

Enhanced emission and photoconductivity due to photo-induced charge transfer from Au nanoislands to ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Shang-Hsuan; Chan, Ching-Hsiang; Liang, Ching-Tarng

2016-01-25

We report systematic studies based on photoluminescence, Hall, and photoconductivity measurements together with theoretical modeling in order to identify mechanisms for the photo-induced charge transfer effects in ZnO thin film incorporated with the Au nano-islands (AuNIs). Significant enhancement of near band edge emission and improvement in conductivity of ZnO/AuNIs samples after illumination are observed, which are attributed to the photo-induced hot electrons in Au which are then transferred into the conduction band of ZnO as long as the excitation energy is higher than the offset between the ZnO conduction-band minimum and Au Fermi level. Our experimental results are consistent withmore » the general features predicted by first principles calculations.« less

Photoluminescence as a tool for characterizing point defects in semiconductors

NASA Astrophysics Data System (ADS)

Reshchikov, Michael

2012-02-01

Photoluminescence is one of the most powerful tools used to study optically-active point defects in semiconductors, especially in wide-bandgap materials. Gallium nitride (GaN) and zinc oxide (ZnO) have attracted considerable attention in the last two decades due to their prospects in optoelectronics applications, including blue and ultraviolet light-emitting devices. However, in spite of many years of extensive studies and a great number of publications on photoluminescence from GaN and ZnO, only a few defect-related luminescence bands are reliably identified. Among them are the Zn-related blue band in GaN, Cu-related green band and Li-related orange band in ZnO. Numerous suggestions for the identification of other luminescence bands, such as the yellow band in GaN, or green and yellow bands in ZnO, do not stand up under scrutiny. In these conditions, it is important to classify the defect-related luminescence bands and find their unique characteristics. In this presentation, we will review the origin of the major luminescence bands in GaN and ZnO. Through simulations of the temperature and excitation intensity dependences of photoluminescence and by employing phenomenological models we are able to obtain important characteristics of point defects such as carrier capture cross-sections for defects, concentrations of defects, and their charge states. These models are also used to find the absolute internal quantum efficiency of photoluminescence and obtain information about nonradiative defects. Results from photoluminescence measurements will be compared with results of the first-principle calculations, as well as with the experimental data obtained by other techniques such as positron annihilation spectroscopy, deep-level transient spectroscopy, and secondary ion mass spectrometry.

Structural and dielectric properties of Al x Zn1- x O ( x = 0, 0.02, 0.04, 0.06, 0.08 and 0.10) nanoparticles

NASA Astrophysics Data System (ADS)

Sharma, Neha; Kumar, Sanjay; Sharma, Varun

2018-05-01

The chemical precipitation method is followed for the synthesis of Al-doped ZnO nanoparticles (NPs) with varying doping concentrations (0, 0.02, 0.04, 0.06, 0.08, and 0.10 M). A single hexagonal crystalline phase of wurtzite structure has been confirmed for all the samples by X-ray diffraction. Crystalline size and microstrain of the un-doped and doped ZnO (NPs) is determined by the Williamson-Hall (W-H) analysis. The optical properties like band gap and Urbach energy are found out by the UV-visible spectroscopy. The functional bonds are detailed by Fourier transmission infrared spectroscopy. The dielectric properties have been shown by doped sample due to hopping mechanisms as compared to the undoped. The loss factor (tan δ) follows an inverse direction as correspond to frequency due to the presence of dielectric dispersion.

Zn vacancy-donor impurity complexes in ZnO

NASA Astrophysics Data System (ADS)

Frodason, Y. K.; Johansen, K. M.; Bjørheim, T. S.; Svensson, B. G.; Alkauskas, A.

2018-03-01

Results from hybrid density functional theory calculations on the thermodynamic stability and optical properties of the Zn vacancy (VZn) complexed with common donor impurities in ZnO are reported. Complexing VZn with donors successively removes its charge-state transition levels in the band gap, starting from the most negative one. Interestingly, the presence of a donor leads only to modest shifts in the positions of the VZn charge-state transition levels, the sign and magnitude of which can be interpreted from a polaron energetics model by taking hole-donor repulsion into account. By employing a one-dimensional configuration coordinate model, luminescence lineshapes and positions were calculated. Due to the aforementioned effects, the isolated VZn gradually changes from a mainly nonradiative defect with transitions in the infrared region in n -type material, to a radiative one with broad emission in the visible range when complexed with shallow donors.

Annealing induced reorientation of crystallites in Sn doped ZnO films

NASA Astrophysics Data System (ADS)

Ravichandran, K.; Vasanthi, M.; Thirumurugan, K.; Sakthivel, B.; Karthika, K.

2014-11-01

Tin doped ZnO thin films were prepared by employing a simplified spray pyrolysis technique using a perfume atomizer and subsequently annealed under different temperatures from 350 °C to 500 °C in steps of 50 °C. The structural, optical, electrical, photoluminescence and surface morphological properties of the as-deposited films were studied and compared with that of the annealed films. The X-ray diffraction studies showed that as-deposited film exhibits preferential orientation along the (0 0 2) plane and it changes in favour of (1 0 0) plane after annealing. The increase in crystallite size due to annealing is explained on the basis of Ostwald ripening effect. It is found that the optical transmittance and band gap increases with increase in annealing temperature. A slight decrease in resistivity caused by annealing is discussed in correlation with annealing induced defect modifications and surface morphology.

Structural defects and recombination behavior of excited carriers in Cu(In,Ga)Se2 solar cells

NASA Astrophysics Data System (ADS)

Yang, J.; Du, H. W.; Li, Y.; Gao, M.; Wan, Y. Z.; Xu, F.; Ma, Z. Q.

2016-08-01

The carriers' behavior in neutral region (NTR) and space charged region (SCR) of Cu(In,Ga)Se2 thin film based solar cells has been investigated by temperature dependent photoluminescence (PL-T), electroluminescence (EL-T) and current-voltage (IV-T) from 10 to 300 K. PL-T spectra show that three kinds of defects, namely VSe, InCu and (InCu+VCu), are localized within the band gap of NTR and SCR of CIGS layer, corresponding to the energy levels of EC-0.08, EC-0.20 and EC-0.25 eV, respectively. The InCu and (InCu+VCu) deep level defects are non-radiative recombination centers at room temperature. The IV-T and EL-T analysis reveals that the injection modes of electrons from ZnO conduction band into Cu(In,Ga)Se2 layer are tunneling, thermally-excited tunneling and thermionic emission under 10-40, 60-160, and 180-300 K, respectively. At 10-160 K, the electrons tunnel into (InCu+VCu) and Vse defect levels in band gap of SCR and the drifting is involved in the emission bands at 0.96 and 1.07 eV, which is the direct evidence for a tunneling assisted recombination. At 180-300 K, the electrons are directly injected into the Cu(In,Ga)Se2 conduction band, and the emission of 1.13 eV are ascribed to the transitions from the conduction band to the valence band.

Effect of an Electrochemically Oxidized ZnO Seed Layer on ZnO Nanorods Grown by using Electrodeposition

NASA Astrophysics Data System (ADS)

Jeon, Woosung; Leem, Jae-Young

2018-05-01

ZnO nanorods were prepared on a Si substrate with and without a ZnO seed layer formed by electro-oxidation to investigate the effect of the seed layer on their growth. The ZnO nanorods grown on the ZnO seed layer had top surfaces that were flat whereas those grown without it had rough top surfaces, as observed in field-emission scanning electron microscopy images. In the Xray diffraction analysis, all ZnO nanorods showed preferential orientation with the (002) plane. In the case of ZnO nanorods prepared with a ZnO seed layer, the residual stress decreased, and the full width at half maximum of the ZnO (002) plane peak decreased. The photoluminescence spectra show a strong and narrow near-band-edge emission peak and high near-band-edge emission to deep-level emission peak ratio for the ZnO nanorods prepared with the seed layer. With respect to the photoresponse properties, the ZnO nanorods grown with the ZnO seed layer showed higher responsivity and faster rise/decay curves than those grown without it. Thus, the ZnO seed layer formed by electro-oxidation improves the structural, optical, and photoresponse properties of the ZnO nanorods formed on it. This method could serve as a new route for improving the properties of optoelectronic devices.

Chemoselectivity-induced multiple interfaces in MWCNT/Fe3O4@ZnO heterotrimers for whole X-band microwave absorption.

PubMed

Wang, Zhijiang; Wu, Lina; Zhou, Jigang; Jiang, Zhaohua; Shen, Baozhong

2014-11-07

A chemoselective route to induce Fe3O4@ZnO core-shell nanoparticles decorating carbon nanotubes to form MWCNT/Fe3O4@ZnO heterotrimers has been developed. Charges are redistributed in the heterotrimers through C-O-Zn, C-O-Fe and Fe-O-Zn bondings, giving rise to multiple electronic phases. The generated significant interfacial polarization and synergetic interaction between dielectric and magnetic absorbers result in the MWCNT/Fe3O4@ZnO heterotrimers with high-performance microwave absorption in an entire X band.

Nonequilibrium BN-ZnO: Optical properties and excitonic effects from first principles

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Schleife, André

2018-03-01

The nonequilibrium boron nitride (BN) phase of zinc oxide (ZnO) has been reported for thin films and nanostructures, however, its properties are not well understood due to a persistent controversy that prevents reconciling experimental and first-principles results for its atomic coordinates. We use first-principles theoretical spectroscopy to accurately compute electronic and optical properties, including single-quasiparticle and excitonic effects: Band structures and densities of states are computed using density functional theory, hybrid functionals, and the G W approximation. Accurate optical absorption spectra and exciton binding energies are computed by solving the Bethe-Salpeter equation for the optical polarization function. Using this data we show that the band-gap difference between BN-ZnO and wurtzite (WZ) ZnO agrees very well with experiment when the theoretical lattice geometry is used, but significantly disagrees for the experimental atomic coordinates. We also show that the optical anisotropy of BN-ZnO differs significantly from that of WZ-ZnO, allowing us to optically distinguish both polymorphs. By using the transfer-matrix method to solve Maxwell's equations for thin films composed of both polymorphs, we illustrate that this opens up a promising route for tuning optical properties.

UV- Vis- NIR and luminescent characterization of PZCdO:Tm laser oxide glasses

NASA Astrophysics Data System (ADS)

Al-Assiri, M. S.; Algarni, H.; Reben, M.; Yousef, E.; Hegazy, H. H.; AbouDeif, Y. M.; Umar, Ahmad

2017-11-01

The luminescent oxide glasses with composition 50P2O5- 30ZnO- 20CdO (PZCdO pure) and 50P2O5- 30ZnO- 20CdO- 30000 ppm Tm2O3 (PZCdO:Tm) were synthesized by using melt- quenching technique. The optical energy gap and Urbach energy of these glasses were calculated by using UV-Vis-NIR spectroscopy. Judd- Ofelt parameters Ω2, Ω4 and Ω6, branching ratio, βR, and radiative lifetimes, τR, of Tm3+ ions doped PZCdO glasses were estimated. The spectroscopic results showed that the present glasses has the effective emission cross section bandwidth (Δλeff = 90 nm) and high stimulated emission cross-section (σem = 1.5 × 10-21 cm2). The blue up conversion emissions sharp band at 458 nm corresponding to transition 1D2 → 3F6 and weak emission band in NIR region assigned to 1G4→3H4 for the glasses PZCdO:Tm with UV- excited at 354 nm region were obtained. From result we can suggest that the present glasses can be used for blue light emitting diodes BLED chip.

Investigation of microstructure, electrical and photoluminescence behaviour of Ni-doped Zn0.96Mn0.04O nanoparticles: Effect of Ni concentration

NASA Astrophysics Data System (ADS)

Rajakarthikeyan, R. K.; Muthukumaran, S.

2017-07-01

ZnO, Zn0.96Mn0.04O and Ni-doped Zn0.96Mn0.04O nanoparticles with different Ni concentrations (0%, 2% and 4%) have been synthesized successfully by sol-gel method. The effects of Ni doping on the structural and optical properties were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy and photoluminescence (PL) spectroscopy. The XRD pattern confirmed the existence of single phase wurtzite-like hexagonal structure throughout the Ni concentrations without any additional phases. The substitution of Ni created the lattice distortion due to the disparity of ionic radius between Zn and Ni which reduced the crystallite size. The microscopic images showed that the size of ZnO nanoparticles reduced by Ni-doping while the shape remains almost spherical/hexagonal type. The electrical conductivity found to be maximum at Ni = 2% due to the availability of more charge carriers generated by Ni. The decrease of electrical conductivity at higher doping (Ni = 4%) is due to the fact that the generation of more defects. The enhanced band gap from 3.73 eV (Ni = 0%) to 3.79 eV (Ni = 4%) by the addition of Ni explained by Burstein-Moss effect. The change in infra-red (IR) intensity and full width at half maximum (FWHM) corresponding to the frequency around defect states were caused by the difference in the bond lengths that occurs when Ni ion replaces Zn ion. The observed blue band emission from 474 nm to 481 nm is due to a radiative transition of an electron from the deep donar level of Zni to an acceptor level of neutral VZn and the origin of green band may be due to oxygen vacancies and intrinsic defects. The tuning of the band gap and the visible emission bands by Ni doping concluded that Ni-doped Zn0.96Mn0.04O is suitable for various nano-photo-electronics applications.

Photoexcited emission efficiencies of zinc oxide

NASA Astrophysics Data System (ADS)

Foreman, John Vincent

Optoelectronic properties of the II-VI semiconductor zinc oxide (ZnO) have been studied scientifically for almost 60 years; however, many fundamental questions remain unanswered about its two primary emission bands--the exciton-related luminescence in the ultraviolet and the defect-related emission band centered in the green portion of the visible spectrum. The work in this dissertation was motivated by the surprising optical properties of a ZnO nanowire sample grown by the group of Prof. Jie Liu, Department of Chemistry, Duke University. We found that this nanowire sample exhibited defect-related green/white emission of unprecedented intensity relative to near-band-edge luminescence. The experimental work comprising this dissertation was designed to explain the optical properties of this ZnO nanowire sample. Understanding the physics underlying such exceptional intensity of green emission addresses many of the open questions of ZnO research and assesses the possibility of using ZnO nanostructures as an ultraviolet-excited, broadband visible phosphor. The goal of this dissertation is to provide insight into what factors influence the radiative and nonradiative recombination efficiencies of ZnO by characterizing simultaneously the optical properties of the near-band-edge ultraviolet and the defect-related green emission bands. Specifically, we seek to understand the mechanisms of ultraviolet and green emission, the mechanism of energy transfer between them, and the evolution of their emission efficiencies with parameters such as excitation density and sample temperature. These fundamental but unanswered questions of ZnO emission are addressed here by using a novel combination of ultrafast spectroscopic techniques in conjunction with a systematic set of ZnO samples. Through this systematic investigation, ZnO may be realistically assessed as a potential green/white light phosphor. Photoluminescence techniques are used to characterize the thermal quenching behavior of both emission bands in micrometer-scale ZnO powders. Green luminescence quenching is described by activation energies associated with bound excitons. We find that green luminescence efficiency is maximized when excitons are localized in the vicinity of green-emitting defects. Subsequent photoluminescence excitation measurements performed at multiple temperatures independently verified that green band photoluminescence intensity directly correlates with the photogenerated exciton population. The spatial distributions of green-emitting defects and nonradiative traps are elucidated by an innovative combination of quantum efficiency and time-integrated/resolved photoluminescence measurements. By combining these techniques for the first time, we take advantage of the drastically different absorption coefficients for one- and two-photon excitations to provide details about the types and concentrations of surface and bulk defects and to demonstrate the non-negligible effects of reabsorption. A comparison of results for unannealed and annealed ZnO powders indicates that the annealing process creates a high density of green-emitting defects near the surface of the sample while simultaneously reducing the density of bulk nonradiative traps. These experimental results are discussed in the context of a simple rate equation model that accounts for the quantum efficiencies of both emission bands. For both femtosecond pulsed and continuous-wave excitations, the green band efficiency is found to decrease with increasing excitation density--from 35% to 5% for pulsed excitation spanning 1-1000 muJ/cm--2, and from 60% to 5% for continuous excitation in the range 0.01-10 W/cm --2. On the other hand, near-band-edge emission efficiency increases from 0.4% to 25% for increasing pulsed excitation density and from 0.1% to 0.6% for continuous excitation. It is shown experimentally that these changes in efficiency correspond to a reduction in exciton formation efficiency. The differences in efficiencies for pulsed versus continuous-wave excitation are described by changes in the relative rates of exciton luminescence and exciton capture at green defects based on an extended rate equation model that accounts for the excitation density dependence of both luminescence bands. In using a systematic set of ZnO samples and a novel combination of optical techniques to characterize them, this body of work presents a comprehensive and detailed physical picture of recombination mechanisms in ZnO. The insight provided by these results has immediate implications for material growth/processing techniques and should help material growers control the relative efficiencies of ultraviolet, green/visible, and nonradiative recombination channels in ZnO.

Acceptors in ZnO

DOE PAGES

Mccluskey, Matthew D.; Corolewski, Caleb; Lv, Jinpeng; ...

2015-03-21

Zinc oxide (ZnO) has potential for a range of applications in the area of optoelectronics. The quest for p-type ZnO has focused much attention on acceptors. In this paper, Cu, N, and Li acceptor impurities are discussed. Experimental evidence shows that these point defects have acceptor levels 3.2, 1.5, and 0.8 eV above the valence-band maximum, respectively. The levels are deep because the ZnO valence band is quite low compared to conventional, non-oxide semiconductors. Using MoO2 contacts, the electrical resistivity of ZnO:Li was measured and showed behavior consistent with bulk hole conduction for temperatures above 400 K. A photoluminescence peakmore » in ZnO nanocrystals has been attributed to an acceptor, which may involve a zinc vacancy. High field (W-band) electron paramagnetic resonance measurements on the nanocrystals revealed an axial center with g = 2.0033 and g = 2.0075, along with an isotropic center at g = 2.0053.« less

Enhancing UV photoconductivity of ZnO nanobelt by polyacrylonitrile functionalization

NASA Astrophysics Data System (ADS)

He, J. H.; Lin, Yen H.; McConney, Michael E.; Tsukruk, Vladimir V.; Wang, Zhong L.; Bao, Gang

2007-10-01

UV photodetector fabricated using a single ZnO nanobelt (NB) has shown a photoresponse enhancement up to 750 times higher than that of a bare ZnO NB after coating with ˜20nm plasma polymerized acrylonitrile (PP-AN) nanoscale film. The mechanism for this colossal photoconductivity is suggested as a consequence of the efficient exciton dissociation under UV illumination due to enhanced electron transfer from valence band of ZnO NB to the PP-AN and then back to the conduction band of ZnO. This process has demonstrated an easy and effective method for improving the performance of the nanowire/NB-based devices, possibly leading to supersensitive UV detector for applications in imaging, photosensing, and intrachip optical interconnects.

Universal features underlying the magnetism in diluted magnetic semiconductors

NASA Astrophysics Data System (ADS)

Andriotis, Antonis N.; Menon, Madhu

2018-04-01

Investigation of a diverse variety of wide band gap semiconductors and metal oxides that exhibit magnetism on substitutional doping has revealed the existence of universal features that relate the magnetic moment of the dopant to a number of physical properties inherent to the dopants and the hosts. The investigated materials consist of ZnO, GaN, GaP, TiO2, SnO2, Sn3N4, MoS2, ZnS and CdS doped with 3d-transition metal atoms. The primary physical properties contributing to magnetism include the orbital hybridization and charge distribution, the d-band filling, d-band center, crystal field splitting, electron pairing energy and electronegativity. These features specify the strength of the spin-polarization induced by the dopants on their first nearest neighboring anions which in turn specify the long range magnetic coupling among the dopants through successively induced spin polarizations (SSP) on neighboring dopants. The proposed local SSP process for the establishment of the magnetic coupling among the TM-dopants appears as a competitor to other classical processes (superexchange, double exchange, etc). Furthermore, these properties can be used as a set of descriptors suitable for developing statistical predictive theories for a much larger class of magnetic materials.

Synthesis and characterization of three-dimensional transition metal ions doped zinc oxide based dilute magnetic semiconductor thin films

NASA Astrophysics Data System (ADS)

Samanta, Kousik

Dilute magnetic semiconductors (DMS), especially 3d-transition metal (TM) doped ZnO based DMS materials are the most promising candidates for optoelectronics and spintronics applications; e.g. in spin light emitting diode (SLED), spin transistors, and spin field effect transistors (SFET), etc. In the present dissertation, thin films of Zn1-xTMxO (TM = Co2+, Cu2+, and Mn2+) were grown on (0001) oriented Al2O3 substrates by pulsed laser deposition (PLD) technique. The films were highly c-axis oriented, nearly single crystalline, and defects free for a limited concentration of the dilution of transition metal ions. In particular, we have obtained single crystalline phases of Zn1-xTMxO thin films for up to 10, 3, and 5 stoichiometric percentages of Co2+, Cu2+, and Mn2+ respectively. Raman micro-probe system was used to understand the structural and lattice dynamical properties at different physical conditions. The confinement of optical phonons in the disorder lattice was explained by alloy potential fluctuation (APF) using a spatial correlation (SC) model. The detailed analysis of the optical phonon behavior in disorder lattice confirmed the substitution of the transition metal ions in Zn 2+ site of the ZnO host lattice. The secondary phases of ZnCo 2O4, CuO, and ZnMn2O4 were detected in higher Co, Cu, and Mn doped ZnO thin films respectively; where as, XRD did not detect these secondary phases in the same samples. Room temperature ferromagnetism was observed in Co2+ and Cu2+ ions doped ZnO thin films with maximum saturation magnetization (Ms) of 1.0 and 0.76 muB respectively. The origin of the observed ferromagnetism in Zn1-xCoxO thin films was tested by the controlled introduction of shallow donors (Al) in Zn0.9-x Co0.1O:Alx (x = 0.005 and 0.01) thin films. The saturation magnetization for the 10% Co-doped ZnO (1.0 muB /Co) at 300K reduced (˜0.25 muB/Co) due to Al doping. The observed ferromagnetism and the reduction due to Al doping can be explained by the Bound Magnetic Polaron (BMP) model. The Resistivity of ZCO sample (˜ 103 O-cm) dropped by 5 orders of magnitude (0.02 O-cm) in Co, Al co-doped samples and the carrier concentrations increases 4 orders of magnitude (˜ 1019/cm3). The Cu2+ doped ZnO thin films showed the ferromagnetic property at 300K. The p-d orbital mixing of high spin Cu2+ (d9) state with the nearest neighbor oxygen p-orbital can explain the origin of RTFM in Zn 1-xCuxO thin films. The optical transmission spectroscopy and the photoluminescence spectroscopy analysis were used to understand the electronic band structure, near band edge (NBE) transition, and the excitonic behavior in ZnO and Zn1-xTMxO thin films. We have found the reduction of NBE transition at 300K due to the substitution of Co and Cu in ZnO host lattice. This narrowing of the optical band gap (NBE) is due to the sp-d exchange interaction between the d electrons of transition metal ions and the band electrons of ZnO; the strength of this interaction strongly depends on the number of d electrons. The s-d and p-d exchanges give rise to negative and positive corrections to the conduction and valance band edges respectively, leading to the NBE narrowing. We have observed the characteristic inter atomic d-d transitions in Co doped samples; thus confirming the substitution of Co2+ in the tetrahedral site in ZnO. The low temperature (77K) PL spectrum showed the basic excitonic characteristics of pure ZnO in Zn1-xTMxO thin films. The X-ray photoelectron spectroscopy (XPS) showed that the Co and Cu are normally in 2+ oxidation state, but in the case of higher Cu concentrations (>3%), the mixed state of Cu2+ and Cu1+ were detected.

Emission and Structure-Varying ZnO and Carbon Nanocrystal Composite in Mechanical Processing

NASA Astrophysics Data System (ADS)

Torchynska, T.; Perez Millan, B.; Polupan, G.; Kakazey, M.

2018-03-01

Morphology, photoluminescence (PL), and Raman scattering spectra have been investigated for mixtures of ZnO+0.1%C nanocrystals (NCs) at different stages of mechanical processing (MP). The transformation of graphite into graphene monolayers covering the ZnO NC surface is revealed for the first MP stage. The interaction with oxygen has been detected in the second MP stage which leads to the dissolution of oxygen interstitials in the ZnO NCs and to the formation of graphene (graphite) oxides. Increasing the concentration of the oxygen interstitials in ZnO NCs also enhances the intensity stimulation of the orange PL band (2.18eV). Simultaneously, the PL band peaking at 2.82-2.90 eV is detected in the PL spectra of the ZnO+0.1%C NC mixture after MP for 9-90 min. Then, the variation of the ZnO NC shape, agglomeration of ZnO NCs, modification of ZnO defects and decreasing PL intensity have been detected after prolonged MP for 390 min. It is expected that short stages of MP can be useful for ZnO NC surface covering by graphene layers or graphene (graphite) oxides.

Zn-Al layered double hydroxide prepared at different molar ratios: Preparation, characterization, optical and dielectric properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmed, Abdullah Ahmed Ali; Talib, Zainal Abidin, E-mail: zainalat@science.upm.edu.my; Zobir bin Hussein, Mohd

2012-07-15

The co-precipitation method was used to prepare Zn-Al-NO{sub 3}-LDH at different Zn{sup 2+}/Al{sup 3+} molar ratios (2, 3, 4, 5 and 6) and pH value of 7.5. The structure, textural, composition and morphological properties were investigated using powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), Fourier transform infrared (FT-IR) and scanning electron microscope (SEM), respectively. The crystallinity of LDH samples were found to improve as molar ratio decreased which is attributed to the distortion of the hydroxide layers networks of the LDH crystal by the larger difference in ionic radii of Zn{sup 2+} and Al{sup 3+}. The optical band gap energymore » of LDH samples were evaluated using absorbance data from UV-Vis-NIR Diffuse reflectance spectroscopy. Band gaps were affected by the variation of the Zn{sup 2+}/Al{sup 3+} molar ratio is due to the formation of the low crystalline phases (ZnO and ZnAl{sub 2}O{sub 4}). The water molecules and anionic NO{sub 3}{sup -} in the LDH interlayer were responsible for the generation of the dielectric response. This response can be described by an anomalous low frequency dispersion using the second type of Universal Power Law. The dominance of ZnO dipoles and charge carriers (NO{sub 3}{sup -} ions) in the dielectric relaxation increases with the increasing molar ratio. - Graphical abstract: (a) Schematic diagram of Zn-Al- NO{sub 3}-LDH shows the LDH structure, (b) Kubelka-Munk transformed reflectance spectra and c. The dielectric constant versus frequency of Zn-Al- NO{sub 3}-LDH samples. Highlights: Black-Right-Pointing-Pointer Zn-Al-NO{sub 3}-LDH was prepared at different Zn{sup 2+}/Al{sup 3+} molar ratios (2, 3, 4, 5 and 6). Black-Right-Pointing-Pointer The crystallinity of LDH phase decreased with increase of Zn{sup 2+}/Al{sup 3+} molar ratio. Black-Right-Pointing-Pointer The optical band gaps of LDH samples have been measured. Black-Right-Pointing-Pointer Dielectric response of LDH can be described by anomalous low frequency dispersion.« less

Characterization of nanocrystalline ZnO:Al films by sol-gel spin coating method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gareso, P. L., E-mail: pgareso@gmail.com; Rauf, N., E-mail: pgareso@gmail.com; Juarlin, E., E-mail: pgareso@gmail.com

2014-09-25

Nanocrystalline ZnO films doped with aluminium by sol-gel spin coating method have been investigated using optical transmittance UV-Vis and X-ray diffraction (X-RD) measurements. ZnO films were prepared using zinc acetate dehydrate (Zn(CH{sub 3}COO){sub 2}@@‡2H{sub 2}O), ethanol, and diethanolamine (DEA) as a starting material, solvent, and stabilizer, respectively. For doped films, AlCl{sub 3} was added to the mixture. The ZnO:Al films were deposited on a transparent conductive oxide (TCO) substrate using spin coating technique at room temperature with a rate of 3000 rpm in 30 sec. The deposited films were annealed at various temperatures from 400°C to 600°C during 60 minutes.more » The transmittance UV-Vis measurement results showed that after annealing at 400°C, the energy band gap profile of nanocrystalline ZnO:Al film was a blue shift. This indicated that the band gap of ZnO:Al increased after annealing due to the increase of crystalline size. As the annealing temperature increased the bandgap energy was a constant. In addition to this, there was a small oscillation occurring after annealing compared to the as–grown samples. In the case of X-RD measurements, the crystalinity of the films were amorphous before annealing, and after annealing the crystalinity became enhance. Also, X-RD results showed that structure of nanocrystalline ZnO:Al films were hexagonal polycrystalline with lattice parameters are a = 3.290 Å and c = 5.2531 Å.« less

Synthesis and characterization of transparent conductive zinc oxide thin films by sol-gel spin coating method

NASA Astrophysics Data System (ADS)

Winarski, David

Zinc oxide has been given much attention recently as it is promising for various semiconductor device applications. ZnO has a direct band gap of 3.3 eV, high exciton binding energy of 60 meV and can exist in various bulk powder and thin film forms for different applications. ZnO is naturally n-type with various structural defects, which sparks further investigation into the material properties. Although there are many potential applications for this ZnO, an overall lack of understand and control of intrinsic defects has proven difficult to obtain consistent, repeatable results. This work studies both synthesis and characterization of zinc oxide in an effort to produce high quality transparent conductive oxides. The sol-gel spin coating method was used to obtain highly transparent ZnO thin films with high UV absorbance. This research develops a new more consistent method for synthesis of these thin films, providing insight for maintaining quality control for each step in the procedure. A sol-gel spin coating technique is optimized, yielding highly transparent polycrystalline ZnO thin films with tunable electrical properties. Annealing treatment in hydrogen and zinc atmospheres is researched in an effort to increase electrical conductivity and better understand intrinsic properties of the material. These treatment have shown significant effects on the properties of ZnO. Characterization of doped and undoped ZnO synthesized by the sol-gel spin coating method was carried out using scanning electron microscopy, UV-Visible range absorbance, X-ray diffraction, and the Hall Effect. Treatment in hydrogen shows an overall decrease in the number of crystal phases and visible absorbance while zinc seems to have the opposite effect. The Hall Effect has shown that both annealing environments increase the n-type conductivity, yielding a ZnO thin film with a carrier concentration as high as 3.001 x 1021 cm-3.

Defect-mediated magnetism of transition metal doped zinc oxide thin films

NASA Astrophysics Data System (ADS)

Roberts, Bradley Kirk

Magnetism in transition metal doped wide band-gap materials is of interest to further the fundamental science of materials and future spintronics applications. Large inter-dopant separations require mediation of ferromagnetism by some method; carrier-mediated mechanisms are typically applicable to dilute magnetic semiconductors with low Curie temperatures. Dilute magnetic oxides, commonly with poor conductivity and TC above room temperature, cannot be described within this theory. Recent experiment and theory developments suggest that ferromagnetic exchange in these materials can be mediated by defects. This research includes experimental results justifying and developing this approach. Thin films of Cr doped ZnO (band gap ˜3.3 eV) were deposited with several processing variations to enhance the effects of either 0-dimensional (vacancy, hydrogen-related defect) or two-dimensional defects (surface/interface) and thereby affect magnetism and conductivity. We observe surface magnetism in dielectric thin films of oxygen-saturated ZnO:Cr with spontaneous magnetic moment and conductance dropping approximately exponentially with increasing thickness. Uniform defect concentrations would not result in such magnetic ordering behavior indicating that magnetism is mediated either by surface defects or differing concentrations of point defects near the surface. Polarized neutron reflectivity profiling confirms a magnetically active region of ˜8 nm at the film surface. Hydrogen is notoriously present as a defect and carrier dopant in ZnO, and artificial introduction of hydrogen in dielectric ZnO:Cr films results in varying electronic and magnetic behavior. Free carriers introduced with hydrogen doping are not spin-polarized requiring an alternative explanation for ferromagnetism. We find from positron annihilation spectroscopy measurements that hydrogen doping increases the concentration of an altered VZn-related defect (a preliminary interpretation) throughout the film, which is may be magnetically active as mediator. Measurements suggest that this defect contribution is strongest (or concentration higher) near the surface too. This study concerns the wide-gap oxide ZnO when doped with the transition metal Cr, below the percolation threshold, and subject to defects that mediate ferromagnetism independent of polarized free carriers. Ultimately, by adjusting the volumetric concentration of certain defects, ferromagnetic ordering in ZnO:Cr can be controlled. The potential applicability of novel theories of defect-mediated magnetism to this system is discussed.

Effect of capping agents: Structural, optical and biological properties of ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Javed, Rabia; Usman, Muhammad; Tabassum, Saira; Zia, Muhammad

2016-11-01

Different biological activities of capped and uncapped ZnO nanoparticles were investigated, and the effects of potential capping agents on these biological activities were studied. ZnO nanoparticles were synthesized and capped by polyethylene glycol (PEG) and polyvinyl pyrrolidone (PVP) using a simple chemical method of co-precipitation. Characterization by X-ray diffraction (XRD), Fourier transform Infrared spectroscopy (FTIR) and UV-vis spectroscopy confirmed the crystallinity, size, functional group, and band gap of synthesized nanoparticles. Reduction in size occurred from 34 nm to 26 nm due to surfactant. Results of all biological activities indicated significantly higher values in capped as compared to uncapped nanoparticles. Antibacterial activity against Staphylococcus aureus (ATCC 6538), Bacillus subtilis (ATCC 6633), Escherichia coli (ATCC15224), and Acetobacter was obtained. This activity was more prominent against Gram-positive bacteria, and ZnO-PVP nanoparticles elucidated highest antibacterial activity (zone of inhibition 17 mm) against Gram-positive, Bacillus subtilis species. Antioxidant activities including total flavonoid content, total phenolic content, total antioxidant capacity, total reducing power and %age inhibition of DPPH, and antidiabetic activity against α-amylase enzyme found to be exhibited highest by ZnO-PEG nanoparticles.

Laser-induced periodic surface structures on zinc oxide crystals upon two-colour femtosecond double-pulse irradiation

NASA Astrophysics Data System (ADS)

Höhm, S.; Rosenfeld, A.; Krüger, J.; Bonse, J.

2017-03-01

In order to study the temporally distributed energy deposition in the formation of laser-induced periodic surface structures (LIPSS) on single-crystalline zinc oxide (ZnO), two-colour double-fs-pulse experiments were performed. Parallel or cross-polarised double-pulse sequences at 400 and 800 nm wavelength were generated by a Mach-Zehnder interferometer, exhibiting inter-pulse delays up to a few picoseconds between the sub-ablation 50-fs-pulses. Twenty two-colour double-pulse sequences were collinearly focused by a spherical mirror to the sample surface. The resulting LIPSS periods and areas were analysed by scanning electron microscopy. The delay-dependence of these LIPSS characteristics shows a dissimilar behaviour when compared to the semiconductor silicon, the dielectric fused silica, or the metal titanium. A wavelength-dependent plasmonic mechanism is proposed to explain the delay-dependence of the LIPSS on ZnO when considering multi-photon excitation processes. Our results support the involvement of nonlinear processes for temporally overlapping pulses. These experiments extend previous two-colour studies on the indirect semiconductor silicon towards the direct wide band-gap semiconductor ZnO and further manifest the relevance of the ultrafast energy deposition for LIPSS formation.

Efficiency enhancement of ZnO nanostructure assisted Si solar cell based on fill factor enlargement and UV-blue spectral down-shifting

NASA Astrophysics Data System (ADS)

Gholizadeh, A.; Reyhani, A.; Parvin, P.; Mortazavi, S. Z.

2017-05-01

ZnO nanostructures (including nano-plates and nano-rods (NRs)) are grown in various temperatures and Ar/O2 flow rates using thermal chemical vapor deposition, which affect the structure, nano-plate/NR population, and the quality of ZnO nanostructures. X-ray diffraction (XRD) attests that the peak intensity of the crystallographic plane (1 0 0) is correlated to nano-plate abundance. Moreover, optical properties elucidate that the population of nano-plates in samples strongly affect the band gap, binding energy of the exciton, and UV-visible (UV-vis) absorption and spectral luminescence emissions. In fact, the exciton binding energy reduces from ~100 to 80 meV when the population of nano-plates increases in samples. Photovoltaic characteristics based on the drop-casting on Si solar cells reveals three dominant factors, namely, the equivalent series resistance, decreasing reflectance, and down-shifting, in order to scale up the absolute efficiency by 3%. As a consequence, the oxygen vacancies in ZnO nanostructures give rise to the down-shifting and increase of free-carriers, leading to a reduction in the equivalent series resistance and an enlargement of fill factor. To obtain a larger I sc, reduction of spectral reflectance is essential; however, the down-shifting process is shown to be dominant by lessening the surface electron-hole recombination rate over the UV-blue spectral range.

Controlling of ZnO nanostructures by solute concentration and its effect on growth, structural and optical properties

NASA Astrophysics Data System (ADS)

Kumar, Yogendra; Rana, Amit Kumar; Bhojane, Prateek; Pusty, Manojit; Bagwe, Vivas; Sen, Somaditya; Shirage, Parasharam M.

2015-10-01

ZnO nanostructured films were prepared by a chemical bath deposition method on glass substrates without any assistance of either microwave or high pressure autoclaves. The effect of solute concentration on the pure wurtzite ZnO nanostructure morphologies is studied. The control of the solute concentration helps to control the nanostructure to form nano-needles, and -rods. X-ray diffraction (XRD) studies revealed highly c-axis oriented thin films. Scanning electron microscopy (SEM) confirms the modification of the nanostructure dependent on the concentration. Transmission electron microscopy (TEM) results show the single crystalline electron diffraction pattern, indicating high quality nano-material. UV-vis results show the variation in the band gap from 3.20 eV to 3.14 eV with increasing concentration as the nanostructures change from needle- to rod-like. Photoluminescence (PL) data indicate the existence of defects in the nanomaterials emitting light in the yellow-green region, with broad UV and visible spectra. A sharp and strong peak is observed at ˜438 cm-1 by Raman spectroscopy, assigned to the {{{{E}}}2}{{high}} optical mode of ZnO, the characteristic peak for the highly-crystalline wurtzite hexagonal phase. The solute concentration significantly affects the formation of defect states in the nanostructured films, and as a result, it alters the structural and optical properties. Current-voltage characteristics alter with the measurement environment, indicating potential sensor applications.

Enhanced room temperature ferromagnetism in Cr-doped ZnO nanoparticles prepared by auto-combustion method

NASA Astrophysics Data System (ADS)

Haq, Khizar-ul; Irfan, M.; Masood, Muhammad; Saleem, Murtaza; Iqbal, Tahir; Ahmad, Ishaq; Khan, M. A.; Zaffar, M.; Irfan, Muhammad

2018-04-01

Zn1‑x Cr x O (x = 0.00, 0.01, 0.03, 0.05, 0.07, and 0.09) nanoparticles were synthesized, by an auto-combustion method. Structural, optical, and magnetic characteristics of Cr-doped ZnO samples calcined at 600 °C have been analyzed by using X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), UV–Vis spectroscopy and vibrating sample magnetometer (VSM). The XRD data confirmed the hexagonal wurtzite structure of pure and Cr-doped ZnO nanoparticles. The calculated values of grain size using Scherrer's formula are in the range of 30.7–9.2 nm. The morphology of nanopowders has been observed by FESEM, and EDS results confirmed a systematic increase of Cr content in the samples and clearly indicate with no impurity element. The band gaps, computed by UV–Vis spectroscopy, are in the range of 2.83–2.35 eV for different doping concentrations. By analyzing VSM data, significantly enhanced room temperature ferromagnetism is identified in Cr-doped ZnO samples. The value of magnetization is a 12 times increased of the value reported by Daunet al. (2010). Room temperature ferromagnetism of the nanoparticles is of vital prominence for spintronics applications. Project supported by the Office of Research, Innovation, and Commercialization (ORIC), MUST Mirpur (AJK).

The role of the VZn-NO-H complex in the p-type conductivity in ZnO.

PubMed

Amini, M N; Saniz, R; Lamoen, D; Partoens, B

2015-02-21

Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant (∼10(18) cm(-3)) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZn-NO-H shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZn-NO-H complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZn-NO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZn-NO, leaving only two states empty higher in the band gap and making the VZn-NO-H complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZn-NO-H complex, but probably the formation of the VZn-NO complex during the annealing process.

Photocatalytic degradation of Orange G dye under solar light using nanocrystalline semiconductor metal oxide.

PubMed

Thennarasu, G; Kavithaa, S; Sivasamy, A

2011-08-01

The photocatalytic degradation of Orange G (OG) dye has been investigated using synthesised nanocrystalline ZnO as a photocatalyst and sunlight as the irradiation source. The formation of ZnO prepared from its precursor was confirmed through FT-IR and powder X-ray diffraction analyses. Surface morphology was characterised by scanning electron microscope and transmission electron microscope analysis. Band gap energy of synthesised nanocrystalline ZnO was calculated using diffuse reflectance spectroscopy (DRS). Different experimental parameters such as effects of pH, dye concentrations and mass of catalyst were standardised in order to achieve complete degradation of the dye molecules under solar light irradiation. The kinetics of oxidation of OG was also studied. The complete degradation of OG was evident after 90 min of irradiation at an initial pH of 6.86. The degradation of OG was confirmed by UV-Visible spectrophotometer, high-pressure liquid chromatography, ESI-Mass and chemical oxygen demand analyses. The adsorption of dye onto catalytic surface was analysed employing model equations such as Langmuir and Freundlich isotherms, and it was found that the Langmuir isotherm model best fitted the adsorption data. The solar photodegradation of OG followed pseudo-first-order kinetics. HPLC and ESI-Mass analyses of the degraded samples suggested that the dye molecules were readily degraded under solar irradiation with nanocrystalline ZnO.

Preparation of poly(N-vinylpyrrolidone)-stabilized ZnO colloid nanoparticles

PubMed Central

Gutul, Tatyana; Condur, Nadejda; Ursaki, Veaceslav; Goncearenco, Evgenii; Vlazan, Paulina

2014-01-01

Summary We propose a method for the synthesis of a colloidal ZnO solution with poly(N-vinylpyrrolidone) (PVP) as stabilizer. Stable colloidal solutions with good luminescence properties are obtained by using PVP as stabilizer in the synthesis of ZnO nanoparticles by a sol–gel method assisted by ultrasound. Nanoparticles with sizes of 30–40 nm in a PVP matrix are produced as a solid product. The colloidal ZnO/PVP/methanol solution, apart from the most intense PL band at 356 nm coming from the PVP, exhibits a strong PL band at 376 nm (3.30 eV) which corresponds to the emission of the free exciton recombination in ZnO nanoparticles. PMID:24778966

Origin of green luminescence in hydrothermally grown ZnO single crystals

NASA Astrophysics Data System (ADS)

Čížek, J.; Valenta, J.; Hruška, P.; Melikhova, O.; Procházka, I.; Novotný, M.; Bulíř, J.

2015-06-01

Combining photoluminescence and positron annihilation studies of hydrothermally grown ZnO crystals with stoichiometry varied by controlled annealing enabled us to clarify the origin of green luminescence. It was found that green luminescence in ZnO has multiple origins and consists of a band at 2.3(1) eV due to recombination of electrons of the conduction band by zinc vacancy acceptors coupled with hydrogen and a band at 2.47(2) eV related to oxygen vacancies. The as-grown ZnO crystals contain zinc vacancies associated with hydrogen and exhibit a green luminescence at 2.3(1) eV. Annealing in Zn vapor removed zinc vacancies and introduced oxygen vacancies. This led to disappearance of the green luminescence band at 2.3(1) eV and appearance of a green emission at higher energy of 2.47(2) eV. Moreover, the color of the crystal was changed from colorless to dark red. In contrast, annealing of the as-grown crystal in Cd vapor did not remove zinc vacancies and did not cause any significant change of green luminescence nor change in coloration.

Temperature-dependent phosphorous dopant activation in ZnO thin film deposited using plasma immersion ion implantation

NASA Astrophysics Data System (ADS)

Murkute, Punam; Ghadi, Hemant; Saha, Shantanu; Chavan, Vinayak; Chakrabarti, Subhananda

2018-03-01

High band gap (3.34 eV) and large exciton binding energy (60 meV) at room temperature facilitates ZnO as a useful candidate for optoelectronics devices. Presence of zinc interstitial and oxygen vacancies results in n-type ZnO film. Phosphorus implantation was carried out using plasma immersion ion implantation technique (2kV, 900W) for constant duration (50 s) on RF sputtered ZnO thin films (Sample A). For dopant activation, sample A was subjected to Rapid Thermal Annealing (RTA) at 700, 800, 900 and 1000°C for 10 s in Oxygen ambient (Sample B, C, D, E). Low temperature (18 K) photoluminescence measurement demonstrated strong donor bound exciton peak for sample A. Dominant donor to acceptor pair peak (DAP) was observed for sample D at around 3.22 eV with linewidth of 131.3 meV. High resolution x-ray diffraction measurement demonstrated (001) and (002) peaks for sample A. (002) peak with high intensity was observed from all annealed samples. Incorporation of phosphorus in ZnO films leads to peak shift towards higher 2θ angle indicate tensile strain in implanted samples. Scanning electron microscopy images reveals improvement in grain size distribution along with reduction of implantation related defects. Raman spectra measured A1(LO) peak at around 576 cm-1 for sample A. Low intensity E2 (high) peak was observed for sample D indicating formation of (PZn+2VZn) complexes. From room temperature Hall measurement, sample D measured 1.17 x 1018 cm -3 carrier concentration with low resistivity of 0.464 Ω.

In vitro antibacterial activity of ZnO and Nd doped ZnO nanoparticles against ESBL producing Escherichia coli and Klebsiella pneumoniae

PubMed Central

Hameed, Abdulrahman Syedahamed Haja; Karthikeyan, Chandrasekaran; Ahamed, Abdulazees Parveez; Thajuddin, Nooruddin; Alharbi, Naiyf S.; Alharbi, Sulaiman Ali; Ravi, Ganasan

2016-01-01

Pure ZnO and Neodymium (Nd) doped ZnO nanoparticles (NPs) were synthesized by the co-precipitation method. The synthesized nanoparticles retained the wurtzite hexagonal structure. From FESEM studies, ZnO and Nd doped ZnO NPs showed nanorod and nanoflower like morphology respectively. The FT-IR spectra confirmed the Zn-O stretching bands at 422 and 451 cm−1 for ZnO and Nd doped ZnO NPs respectively. From the UV-VIS spectroscopic measurement, the excitonic peaks were found around 373 nm and 380 nm for the respective samples. The photoluminescence measurements revealed that the broad emission was composed of ten different bands due to zinc vacancies, oxygen vacancies and surface defects. The antibacterial studies performed against extended spectrum β-lactamases (ESBLs) producing strains of Escherichia coli and Klebsiella pneumoniae showed that the Nd doped ZnO NPs possessed a greater antibacterial effect than the pure ZnO NPs. From confocal laser scanning microscopic (CLSM) analysis, the apoptotic nature of the cells was confirmed by the cell shrinkage, disorganization of cell wall and cell membrane and dead cell of the bacteria. SEM analysis revealed the existence of bacterial loss of viability due to an impairment of cell membrane integrity, which was highly consistent with the damage of cell walls. PMID:27071382

In vitro antibacterial activity of ZnO and Nd doped ZnO nanoparticles against ESBL producing Escherichia coli and Klebsiella pneumoniae

NASA Astrophysics Data System (ADS)

Hameed, Abdulrahman Syedahamed Haja; Karthikeyan, Chandrasekaran; Ahamed, Abdulazees Parveez; Thajuddin, Nooruddin; Alharbi, Naiyf S.; Alharbi, Sulaiman Ali; Ravi, Ganasan

2016-04-01

Pure ZnO and Neodymium (Nd) doped ZnO nanoparticles (NPs) were synthesized by the co-precipitation method. The synthesized nanoparticles retained the wurtzite hexagonal structure. From FESEM studies, ZnO and Nd doped ZnO NPs showed nanorod and nanoflower like morphology respectively. The FT-IR spectra confirmed the Zn-O stretching bands at 422 and 451 cm-1 for ZnO and Nd doped ZnO NPs respectively. From the UV-VIS spectroscopic measurement, the excitonic peaks were found around 373 nm and 380 nm for the respective samples. The photoluminescence measurements revealed that the broad emission was composed of ten different bands due to zinc vacancies, oxygen vacancies and surface defects. The antibacterial studies performed against extended spectrum β-lactamases (ESBLs) producing strains of Escherichia coli and Klebsiella pneumoniae showed that the Nd doped ZnO NPs possessed a greater antibacterial effect than the pure ZnO NPs. From confocal laser scanning microscopic (CLSM) analysis, the apoptotic nature of the cells was confirmed by the cell shrinkage, disorganization of cell wall and cell membrane and dead cell of the bacteria. SEM analysis revealed the existence of bacterial loss of viability due to an impairment of cell membrane integrity, which was highly consistent with the damage of cell walls.

Optical and structural properties of individual Co-doped ZnO microwires

NASA Astrophysics Data System (ADS)

Kolomys, O. F.; Strelchuk, V. V.; Rarata, S. V.; Hayn, R.; Savoyant, A.; Giovannelli, F.; Delorme, F.; Tkach, V.

2018-06-01

The Co-doped ZnO microwires (MWs) were grown using the optical furnace method. We used Scanning electron microscopy (SEM), polarized micro-Raman spectroscopy, photoluminescence (PL) and optical absorption spectroscopy to systematic investigation of the optical and structural properties of Co-doped ZnO MWs. The SEM analysis reveals that Co-doped ZnO MWs has hexagonal facets and cavity inside. The EDS results confirmed the presence and non-uniform distribution of Co impurities in the samples. Co doping of ZnO MWs leads to the decreased intensity, drastically broadening and high-energy shift of the NBE PL band. The red emission band at 1.85 eV originates from 2E(2G) → 4A2 (4F) intra-3d-transition of Co2+ in the ZnO lattice has been observed. The intense structured absorption bands within the near infrared ranges 3800-4800 and 5500-9000 cm-1 are caused by electronic spin-allowed transitions 4T2(F) ← 4A2(F) and 4T1(F) ← 4A2(F) of the tetrahedrally coordinated Co2+ (3 d7) ions substituting Zn2+ ions in Co-doped ZnO MWs. Micro-Raman studies of Co doped ZnO MWs show doping/disorder induced additional modes as compared to the undoped sample. The resonant enhancement of the additional local Co-related A1-symmetry Raman mode is observed in the parallel polarization geometry y(z , z) ybar . For the Co doped ZnO MWs, the enhancement of the additional Co-related local vibration mode with an increase in the excitation photon energy is also observed in the Raman spectra.

Influence of europium (Eu3+) ions on the optical properties of lithium zinc phosphate glasses

NASA Astrophysics Data System (ADS)

Shwetha, M.; Eraiah, B.

2018-02-01

Europium doped lithium zinc phosphate glasses with composition xEu2O3-(15-x) Li2O-45ZnO-40P2O5 (where x=0, 0.1, 0.3 and 0.5 mol %) named as EP0, EP1, EP3 and EP5 respectively, are prepared by melt-quenching method and the influence of Eu3+ ions on physical and optical properties of these glasses has been studied. Optical properties were studied using optical absorption spectra which was recorded at room temperature in the UV-Visible region. Optical direct band gap and indirect band gap energies were measured and their values range from 3.167 to 4.23eV and 2.08 to 3.02eV, respectively. Refractive indices have been measured with respect to different concentration of europium ions. Fluorescence spectroscopy measurements have been performed by excitation in the UV-Visible range, which resulted in the significant fluorescence peaks. The luminescence color of the glass system is characterized using Commission International de l’Eclairage de France 1931 standards.

Gallium ion-assisted room temperature synthesis of small-diameter ZnO nanorods.

PubMed

Cho, Seungho; Kim, Semi; Lee, Kun-Hong

2011-09-15

We report a method for synthesizing small-diameter ZnO nanorods at room temperature (20 °C), under normal atmospheric pressure (1 atm), and using a relatively short reaction time (1 h) by adding gallium salts to the reaction solution. The ZnO nanorods were, on average, 92 nm in length and 9 nm in diameter and were single crystalline in nature. Quantitative analyses revealed that gallium atoms were not incorporated into the synthesized nanocrystals. On the basis of the experimental results, we propose a mechanism for the formation of small-diameter ZnO nanorods in the presence of gallium ions. The optical properties were probed by UV-Vis diffuse reflectance spectroscopy. The absorption band of the small-diameter ZnO nanorods was blue-shifted relative to the absorption band of the ~230 nm diameter ZnO nanorods (control samples). Control experiments demonstrated that the absence of metal ion-containing precipitants (except ZnO) at room temperature is essential, and that the ZnO nanorod diameter distributions were narrow for the stirred reaction solution and broad when prepared without stirring. Copyright © 2011 Elsevier Inc. All rights reserved.

Study on electrical structure and magneto-optical properties of W-doped ZnO

NASA Astrophysics Data System (ADS)

Li, Yong; Hou, Qingyu; Zhao, Chunwang; Xu, Zhenchao

2018-04-01

For W-doping amounts ranging from 0.0417 to 0.0833, experimental UV-visible absorption spectra blue shift and red shift results have been reported in the literatures. However, there is few literature reported research on magnetic mechanism. To solve this problem, this study investigates the disagreement about blue shift and red shift results and research on magnetic mechanism. The band structures, density of states, absorption spectra and magnetism have been investigated using first-principles planewave ultrasoft pseudopotential method based on the density functional theory. The calculated results showed that increased W-doping amounts first increase the volumes, and then reduce the volumes, decrease the formation energies, and stabilize the doped system. The band gaps become narrower and the absorption spectrum exhibits a significant red shift in UV and visible light emission. Moreover, the covalent bond vertical to c-axis strengthens, and the ionic bond parallel to c-axis weakens. Increased W-doping amounts decrease the magnetism of doped system. The magnetism of doped system originates from the electron exchange among W-5d, O-2p and Zn-3d orbitals of the W-doped ZnO. In W double-doped system, the ferromagnetic Curie temperature can be above room temperature when the doped system has a longer W-W distance.

Synthesis of nanocrystalline NiO/ZnO heterostructured composite powders by sol-gel auto combustion method and their characterizations

NASA Astrophysics Data System (ADS)

Tangcharoen, Thanit; Klysubun, Wantana; Kongmark, Chanapa

2018-03-01

Nanocrystalline NiO/ZnO heterostructured composite powders were prepared by the sol-gel auto combustion method, based on nickel and zinc nitrate precursors and using diethanolamine (DEA) as novel fuel. The composition of different NiO and ZnO ratios, ranging from 100/0, 95/5, 90/10, 80/20, 60/40, 50/50, 40/60, 20/80, 10/90, 5/95 to 0/100, were studied. The structural, chemical bonding, morphological, optical, and fluorescence properties including the local atomic structure of each calcined sample were systematically investigated by means of X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), UV-visible diffuse reflectance spectroscopy (UV-DRS), photoluminescence (PL) spectroscopy, and synchrotron X-ray absorption spectroscopy (XAS), respectively. For the ZnO concentration below 20%, both XRD and Raman spectroscopy results revealed only the NiO phase. This conformed to the observation of Zn K-edge and Ni K-edge X-ray absorption near edge structure (XANES). The Zn ions found in the samples of low ZnO concentration exhibited six-fold coordination with oxygen atoms rather than the four-fold coordination found in the wurtzite (WZ) structure of ZnO. In contrast, the Ni ions which are found in the samples of low NiO concentration (≤10%) are coordinated both tetrahedrally and octahedrally by four or six oxygen atoms, respectively, rather than the six-fold coordination which is usually observed for Ni ions in the rock salt (RS) form of NiO. All analytical results obtained from experimental XANES spectra were verified by the theoretical calculation of absorption spectra using the FEFF9.7 code. The UV-DRS results showed that there was an increase in the reflectance efficiency for both infrared and visible light conditions as the content of ZnO increases; meanwhile, the values for the energy gap (Eg) of all composite samples were higher than that of pure NiO and ZnO. In addition, the PL spectra revealed major blue emission bands observed at 490 nm when the excitation wavelength was 300 nm. As the ZnO phase developed, a variety of violet emission bands occurred within the range of 400 nm-450 nm, which was obviously related to the change in Eg. The intrinsic defects occurred in the NiO/ZnO composite powders were probably responsible for this phenomenon.

Intersubband spectroscopy of ZnO/ZnMgO quantum wells grown on m-plane ZnO substrates for quantum cascade device applications (Conference Presentation)

NASA Astrophysics Data System (ADS)

Quach, Patrick; Jollivet, Arnaud; Isac, Nathalie; Bousseksou, Adel; Ariel, Frédéric; Tchernycheva, Maria; Julien, François H.; Montes Bajo, Miguel; Tamayo-Arriola, Julen; Hierro, Adrián.; Le Biavan, Nolwenn; Hugues, Maxime; Chauveau, Jean-Michel

2017-03-01

Quantum cascade (QC) lasers opens new prospects for powerful sources operating at THz frequencies. Up to now the best THz QC lasers are based on intersubband emission in GaAs/AlGaAs quantum well (QW) heterostructures. The maximum operating temperature is 200 K, which is too low for wide-spread applications. This is due to the rather low LO-phonon energy (36 meV) of GaAs-based materials. Indeed, thermal activation allows non-radiative path through electron-phonon interaction which destroys the population inversion. Wide band gap materials such as ZnO have been predicted to provide much higher operating temperatures because of the high value of their LO-phonon energy. However, despite some observations of intersubband absorption in c-plane ZnO/ZnMgO quantum wells, little is known on the fundamental parameters such as the conduction band offset in such heterostructures. In addition the internal field inherent to c-plane grown heterostuctures is an handicap for the design of QC lasers and detectors. In this talk, we will review a systematic investigation of ZnO/ZnMgO QW heterostructures with various Mg content and QW thicknesses grown by plasma molecular beam epitaxy on low-defect m-plane ZnO substrates. We will show that most samples exhibit TM-polarized intersubband absorption at room temperature linked either to bound-to-quasi bound inter-miniband absorption or to bound-to bound intersubband absorption depending on the Mg content of the barrier material. This systematic study allows for the first time to estimate the conduction band offset of ZnO/ZnMgO heterostructures, opening prospects for the design of QC devices operating at THz frequencies. This was supported by the European Union's Horizon 2020 research and innovation programme under grant agreement #665107.

Enhanced photoluminescence and Raman properties of Al-Doped ZnO nanostructures prepared using thermal chemical vapor deposition of methanol assisted with heated brass.

PubMed

Thandavan, Tamil Many K; Gani, Siti Meriam Abdul; San Wong, Chiow; Md Nor, Roslan

2015-01-01

Vapor phase transport (VPT) assisted by mixture of methanol and acetone via thermal evaporation of brass (CuZn) was used to prepare un-doped and Al-doped zinc oxide (ZnO) nanostructures (NSs). The structure and morphology were characterized by field emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). Photoluminescence (PL) properties of un-doped and Al-doped ZnO showed significant changes in the optical properties providing evidence for several types of defects such as zinc interstitials (Zni), oxygen interstitials (Oi), zinc vacancy (Vzn), singly charged zinc vacancy (VZn-), oxygen vacancy (Vo), singly charged oxygen vacancy (Vo+) and oxygen anti-site defects (OZn) in the grown NSs. The Al-doped ZnO NSs have exhibited shifted PL peaks at near band edge (NBE) and red luminescence compared to the un-doped ZnO. The Raman scattering results provided evidence of Al doping into the ZnO NSs due to peak shift from 145 cm-1 to an anomalous peak at 138 cm-1. Presence of enhanced Raman signal at around 274 and 743 cm-1 further confirmed Al in ZnO NSs. The enhanced D and G band in all Al-doped ZnO NSs shows possible functionalization and doping process in ZnO NSs.

Calculating the optical properties of defects and surfaces in wide band gap materials

NASA Astrophysics Data System (ADS)

Deák, Peter

2018-04-01

The optical properties of a material critically depend on its defects, and understanding that requires substantial and accurate input from theory. This paper describes recent developments in the electronic structure theory of defects in wide band gap materials, where the standard local or semi-local approximations of density functional theory fail. The success of the HSE06 screened hybrid functional is analyzed in case of Group-IV semiconductors and TiO2, and shown that it is the consequence of error compensation between semi-local and non-local exchange, resulting in a proper derivative discontinuity (reproduction of the band gap) and a total energy which is a linear function of the fractional occupation numbers (removing most of the electron self-interaction). This allows the calculation of electronic transitions with accuracy unseen before, as demonstrated on the single-photon emitter NV(-) center in diamond and on polaronic states in TiO2. Having a reliable tool for electronic structure calculations, theory can contribute to the understanding of complicated cases of light-matter interaction. Two examples are considered here: surface termination effects on the blinking and bleaching of the light-emission of the NV(-) center in diamond, and on the efficiency of photocatalytic water-splitting by TiO2. Finally, an outlook is presented for the application of hybrid functionals in other materials, as, e.g., ZnO, Ga2O3 or CuGaS2.

Multi-photon excited coherent random laser emission in ZnO powders

NASA Astrophysics Data System (ADS)

Tolentino Dominguez, Christian; Gomes, Maria De A.; Macedo, Zélia S.; de Araújo, Cid B.; Gomes, Anderson S. L.

2014-11-01

We report the observation and analysis of anti-Stokes coherent random laser (RL) emission from zinc oxide (ZnO) powders excited by one-, two- or three-photon femtosecond laser radiation. The ZnO powders were produced via a novel proteic sol-gel, low-cost and environmentally friendly route using coconut water in the polymerization step of the metal precursor. One- and two-photon excitation at 354 nm and 710 nm, respectively, generated single-band emissions centred at about 387 nm. For three-photon excitation, the emission spectra showed a strong ultraviolet (UV) band (380-396 nm) attributed to direct three-photon absorption from the valence band to the conduction band. The presence of an intensity threshold and a bandwidth narrowing of the UV band from about 20 to 4 nm are clear evidence of RL action. The observation of multiple sub-nanometre narrow peaks in the emission spectra for excitation above the RL threshold is consistent with random lasing by coherent feedback.

Investigation of defect modes in a defective photonic crystal with a semiconductor metamaterial defect

NASA Astrophysics Data System (ADS)

Wu, Meng-Ru; Wu, Chien-Jang; Chang, Shoou-Jinn

2014-11-01

In this work, we theoretically investigate the properties of defect modes in a defective photonic crystal containing a semiconductor metamaterial defect. We consider the structure, (LH)N/DP/(LH)N, where N and P are respectively the stack numbers, L is SiO2, H is InP, and defect layer D is a semiconductor metamaterial composed of Al-doped ZnO (AZO) and ZnO. It is found that, within the photonic band gap, the number of defect modes (transmission peaks) will decrease as the defect thickness increases, in sharp contrast to the case of using usual dielectric defect. The peak height and position can be changed by the variation in the thickness of defect layer. In the angle-dependent defect mode, its position is shown to be blue-shifted as the angle of incidence increases for both TE and TM waves. The analysis of defect mode provides useful information for the design of tunable transmission filter in semiconductor optoelectronics.

Atomic layer deposition of Nb-doped ZnO for thin film transistors

NASA Astrophysics Data System (ADS)

Shaw, A.; Wrench, J. S.; Jin, J. D.; Whittles, T. J.; Mitrovic, I. Z.; Raja, M.; Dhanak, V. R.; Chalker, P. R.; Hall, S.

2016-11-01

We present physical and electrical characterization of niobium-doped zinc oxide (NbZnO) for thin film transistor (TFT) applications. The NbZnO films were deposited using atomic layer deposition. X-ray diffraction measurements indicate that the crystallinity of the NbZnO films reduces with an increase in the Nb content and lower deposition temperature. It was confirmed using X-ray photoelectron spectroscopy that Nb5+ is present within the NbZnO matrix. Furthermore, photoluminescence indicates that the band gap of the ZnO increases with a higher Nb content, which is explained by the Burstein-Moss effect. For TFT applications, a growth temperature of 175 °C for 3.8% NbZnO provided the best TFT characteristics with a saturation mobility of 7.9 cm2/Vs, the current On/Off ratio of 1 × 108, and the subthreshold swing of 0.34 V/decade. The transport is seen to follow a multiple-trap and release mechanism at lower gate voltages and percolation thereafter.

Improved sensitivity of polychlorinated-biphenyl-orientated porous-ZnO surface photovoltage sensors from chemisorption-formed ZnO-CuPc composites

PubMed Central

Li, Mingtao; Meng, Guowen; Huang, Qing; Zhang, Shile

2014-01-01

We report a new mechanism for the enhancement of porous-ZnO surface photovoltage (SPV) response to polychlorinated biphenyls (PCBs, a notorious class of persistent organic pollutants as global environmental hazard) based on copper phthalocyanine (CuPc) chemisorptive bonding on porous-ZnO. A new ZnO-CuPc composite is formed on the porous-ZnO surface due to the interaction between the surface ZnO and CuPc, with its valence band (VB) energy level being higher than that of the pristine porous-ZnO. So that the efficiency of the photogenerated-electron transfer from the composite VB to the adjacent ZnO's surface states is drastically increased due to the reduced energy gap between the transition states. As a result, the sensitivity of the PCB-orientated SPV sensor is much improved by showing amplified variation of the SPV-signals perturbed by PCBs adsorbed on the ZnO-CuPc@porous-ZnO sensitive material. PMID:24594662

Fabrication and analysis of Cr-doped ZnO nanoparticles from the gas phase.

PubMed

Schneider, L; Zaitsev, S V; Jin, W; Kompch, A; Winterer, M; Acet, M; Bacher, G

2009-04-01

High quality Cr-doped ZnO nanoparticles from the gas phase were prepared and investigated with respect to their structural, optical and magnetic properties. The extended x-ray absorption fine structure and the x-ray absorption near edge structure of the particles verify that after nanoparticle preparation Cr is incorporated as Cr3+ ) at least partially on sites with a 4-fold oxygen configuration, most likely on a Zn site, into the wurtzite lattice. Despite the fact that Cr is known to act as an efficient non-radiative loss centre for near band gap emission (NBE), a pronounced NBE is obtained up to room temperature even for a nominal Cr concentration of 10 at.%. Annealing at 1000 degrees C results in a significant improvement of the photoluminescence efficiency and a reduced PL linewidth down to 2.9 meV at low temperatures while the structural and magnetic data indicate the formation of ZnCr2O4 clusters.

Electronic structure and p-type doping of ZnSnN2

NASA Astrophysics Data System (ADS)

Wang, Tianshi; Janotti, Anderson; Ni, Chaoying

ZnSnN2 is a promising solar-cell absorber material composed of earth abundant elements. Little is known about doping, defects, and how the valence and conduction bands in this material align with the bands in other semiconductors. Using density functional theory with the the Heyd-Scuseria-Ernzerhof hybrid functional (HSE06), we investigate the electronic structure of ZnSnN2, its band alignment to other semiconductors, such as GaN and ZnO, the possibility of p-type doping, and the possible causes of the observed unintentional n-type conductivity. We find that the position of the valence-band maximum of ZnSnN2 is 0.55 eV higher than that of GaN, yet the conduction-band minimum is close to that in ZnO. As possible p-type dopants, we explore Li, Na, and K substituting on the Zn site. Finally, we discuss the cause of unintentional n-type conductivity by analyzing the position of the conduction-band minimum with respect to that of GaN and ZnO.

EDITORIAL: Oxide semiconductors

NASA Astrophysics Data System (ADS)

Kawasaki, M.; Makino, T.

2005-04-01

Blue or ultraviolet semiconducting light-emitting diodes have the potential to revolutionize illumination systems in the near-future. Such industrial need has propelled the investigation of several wide-gap semiconducting materials in recent years. Commercial applications include blue lasers for DVD memory and laser printers, while military applications are also expected. Most of the material development has so far been focused on GaN (band gap 3.5 eV at 2 K), and ZnSe (2.9 eV) because these two representative direct transition semiconductors are known to be bright emitting sources. GaN and GaN-based alloys are emerging as the winners in this field because ZnSe is subject to defect formation under high current drive. On the other hand, another II-VI compound, ZnO, has also excited substantial interest in the optoelectronics-oriented research communities because it is the brightest emitter of all, owing to the fact that its excitons have a 60 meV binding energy. This is compared with 26 meV for GaN and 20 meV for ZnSe. The stable excitons could lead to laser action based on their recombination even at temperatures well above room temperature. ZnO has additional major properties that are more advantageous than other wide-gap materials: availability of large area substrates, higher energy radiation stability, environmentally-friendly ingredients, and amenability to wet chemical etching. However, ZnO is not new to the semiconductor field as exemplified by several studies made during the 1960s on structural, vibrational, optical and electrical properties (Mollwo E 1982 Landolt-Boernstein New Series vol 17 (Berlin: Springer) p 35). In terms of devices, the luminescence from light-emitting diode structures was demonstrated in which Cu2O was used as the p-type material (Drapak I T 1968 Semiconductors 2 624). The main obstacle to the development of ZnO has been the lack of reproducible p-type ZnO. The possibility of achieving epitaxial p-type layers with the aid of thermal non-equilibrium growth has rekindled the recent extensive investigation and progress in the field of ZnO epitaxy. In this special issue, Ohtomo and Tsukazaki, Cho et al, and Yi et al, respectively, describe the various fabrication processes such as pulsed laser deposition, molecular-beam epitaxy and metal-organic chemical vapour deposition. It should be noted that the last work among the above-mentioned papers has the potential to pave the way to nano-technology based on ZnO. This material has found other important applications as well, such as transparent conducting oxides (TCO). This field has a long research history, as is reviewed by Minami. Relatively speaking, ZnO was one of the earliest crystals (after Si, Ge, and InSb) to be prepared in a pure form, and the resultant long research history has given rise to the availability of large-area substrates. Recent progress in this topic is explained by two representative groups of authors in this field: Nause and Nemeth at Cermet Inc., and Maeda et al at Tokyo Denpa Co. Ltd. In order to overcome the bottleneck of p-type conduction and control the material's properties, a clear understanding of the physical processes in ZnO is necessary. Look et al are known as the first group to report on the growth and properties of p-type ZnO layers with a valid and reasonable set of experimental data (2002 Appl. Phys. Lett. 81 1830). Here, Look contributes a more comprehensive review to this issue. Optical studies on single crystals were conducted and are reviewed here by Meyer et al and Chichibu et al. Band-gap engineering and fabrication of heterojunction or quantum structures are important technological issues. It should be emphasized that by choosing an appropriate set of concentrations (x and y), perfect lattice-matching between MgxZn1-xO and CdyZn1-yO can be attained (Makino T et al 2001 Appl. Phys. Lett. 78 1237). Exciton properties of multiple quantum well structures are reported by Makino et al in this issue. Other than growth of p-type layers, ferromagnetic behaviour in transition-metal doped oxide is also fuelling renewed interest from the spintronic point of view. Since some of the related reports remain controversial, a critical discussion of the magnetic properties of these doped oxides is made by Fukumura et al. Before the observation of electro-luminescence from the ZnO p-n homojunction reported by Tsukazaki et al (2005 Nature Mater. 4 42), the afore-mentioned advantages have been explored and exploited by alternative methods, such as heteroepitaxy in which p-n heterostructures can be obtained by depositing n-type ZnO films on other p-type oxides while still utilizing ZnO as their active layer. Researchers in Hosono's group observed the high-intensity band-edge emission from such heterostructures for the first time (Ohta H et al 2000 Appl. Phys. Lett. 77 475). They have also successfully extended their research fields to the development of a transparent oxide transistor based on homologous compounds, which is reviewed by Kamiya and Hosono in this special issue. As can be seen from these demonstrations, the advantage of oxides is, of course, based on the fact that many elements in the periodic table can form compounds with oxygen. Since the discovery of high-temperature superconductors, these multi-component oxides have exploited the new field known as the science of strongly correlated-electron materials, whose recent progress is reviewed by Inoue. Although the collection of papers included in this special issue covers a good cross-section of the development of oxide semiconductors and correlated-electron oxides to date, this is not meant to be exhaustive. There are a number of unavoidable omissions, such as theoretical studies except for some theoretical predictions on the room-temperature Bose-Einstein condensation of exciton-polaritons found in the article by Chichibu et al. We hope this issue promotes further development of this exciting field. The guest editors would like to thank the publishing team of Semiconductor Science and Technology at IoPP (Claire Bedrock, Barbara Bostock, Chris Hall, and Julie Stott).

Origin of green luminescence in hydrothermally grown ZnO single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Čížek, J., E-mail: jakub.cizek@mff.cuni.cz; Hruška, P.; Melikhova, O.

2015-06-22

Combining photoluminescence and positron annihilation studies of hydrothermally grown ZnO crystals with stoichiometry varied by controlled annealing enabled us to clarify the origin of green luminescence. It was found that green luminescence in ZnO has multiple origins and consists of a band at 2.3(1) eV due to recombination of electrons of the conduction band by zinc vacancy acceptors coupled with hydrogen and a band at 2.47(2) eV related to oxygen vacancies. The as-grown ZnO crystals contain zinc vacancies associated with hydrogen and exhibit a green luminescence at 2.3(1) eV. Annealing in Zn vapor removed zinc vacancies and introduced oxygen vacancies.more » This led to disappearance of the green luminescence band at 2.3(1) eV and appearance of a green emission at higher energy of 2.47(2) eV. Moreover, the color of the crystal was changed from colorless to dark red. In contrast, annealing of the as-grown crystal in Cd vapor did not remove zinc vacancies and did not cause any significant change of green luminescence nor change in coloration.« less

Critical increase in Na-doping facilitates acceptor band movements that yields ~180 meV shallow hole conduction in ZnO bulk crystals

PubMed Central

Parmar, Narendra S.; Yim, Haena; Choi, Ji-Won

2017-01-01

Stable p-type conduction in ZnO has been a long time obstacle in utilizing its full potential such as in opto-electronic devices. We designed a unique experimental set-up in the laboratory for high Na-doping by thermal diffusion in the bulk ZnO single crystals. SIMS measurement shows that Na concentration increases by 3 orders of magnitude, to ~3 × 1020 cm−3 as doping temperature increases to 1200 °C. Electronic infrared absorption was measured for Na-acceptors. Absorption bands were observed near (0.20–0.24) eV. Absorption bands blue shifted by 0.04 eV when doped at 1200 °C giving rise to shallow acceptor level. NaZn band movements as a function of doping temperature are also seen in Photoluminescence emission (PL), Photoluminescence excitation (PLE) and UV-Vis transmission measurements. Variable temperature Hall measurements show stable p-type conduction with hole binding energy ~0.18 eV in ZnO samples that were Na-doped at 1200 °C. PMID:28272444

Effect of Different Activated Carbon as Carrier on the Photocatalytic Activity of Ag-N-ZnO Photocatalyst for Methyl Orange Degradation under Visible Light Irradiation.

PubMed

Chen, Xiaoqing; Wu, Zhansheng; Gao, Zhenzhen; Ye, Bang-Ce

2017-09-05

In order to enhance the photodegradation of methyl orange (MO) by ZnO under visible light irradiation, ZnO nanoparticles co-doped with Ag and N and supported on activated carbon (AC) with different properties were synthesized through the sol-gel method. The prepared photocatalysts were characterized in terms of the structure and properties through X-ray diffraction, N₂ adsorption-desorption, ultraviolet-visible (UV-vis), diffuse reflectance spectroscopy, X-ray photoelectron spectroscopy, photoluminescence, and electron spin resonance. The photocatalytic activities of these photocatalysts followed the order: Ag-N-ZnO/ACs > Ag-N-ZnO > N, or Ag single-doped ZnO > commercial ZnO. This result was attributed to the small particle size, large surface area, narrow band gap, and high charge separation of Ag-N-ZnO/ACs. The Ag-N-ZnO/coconut husk activated carbon (Ag-N-ZnO/CHAC) exhibited the highest degradation efficiency of 98.82% for MO under visible light irradiation. This outcome was due to the abundant pore structure of Ag-N-ZnO/CHAC, resulting in stronger adsorption than that of other Ag-N-ZnO/ACs. Moreover, the degradation of MO on photocatalysis followed first order kinetics. The reactive species ·OH and ·O₂ - played more important roles in the photocatalytic degradation of MO over composite photocatalyst. Ag-N-ZnO/CHAC photocatalyst exhibited higher photocatalytic activity than unsupported Ag-N-ZnO after five recycling runs.

Ferromagnetism in doped or undoped spintronics nanomaterials

NASA Astrophysics Data System (ADS)

Qiang, You

2010-10-01

Much interest has been sparked by the discovery of ferromagnetism in a range of oxide doped and undoped semiconductors. The development of ferromagnetic oxide semiconductor materials with giant magnetoresistance (GMR) offers many advantages in spintronics devices for future miniaturization of computers. Among them, TM-doped ZnO is an extensively studied n-type wide-band-gap (3.36 eV) semiconductor with a tremendous interest as future mini-computer, blue light emitting, and solar cells. In this talk, Co-doped ZnO and Co-doped Cu2O semiconductor nanoclusters are successfully synthesized by a third generation sputtering-gas-aggregation cluster technique. The Co-doped nanoclusters are ferromagnetic with Curie temperature above room temperature. Both of Co-doped nanoclusters show positive magnetoresistance (PMR) at low temperature, but the amplitude of the PMRs shows an anomalous difference. For similar Co doping concentration at 5 K, PMR is greater than 800% for Co-doped ZnO but only 5% for Co-doped Cu2O nanoclusters. Giant PMR in Co-doped ZnO which is attributed to large Zeeman splitting effect has a linear dependence on applied magnetic field with very high sensitivity, which makes it convenient for the future spintronics applications. The small PMR in Co-doped Cu2O is related to its vanishing density of states at Fermi level. Undoped Zn/ZnO core-shell nanoparticle gives high ferromagnetic properties above room temperature due to the defect induced magnetization at the interface.

Homologous compounds of type ARO3(ZnO)m in the system Ga-Sn-Zn-O

NASA Astrophysics Data System (ADS)

Eichhorn, Simon; Schmid, Herbert; Assenmacher, Wilfried; Mader, Werner

2017-02-01

Several members of hitherto unknown homologous compounds [Sn0.5Zn0.5]GaO3(ZnO)m (m=3-7) of the general formula ARO3(ZnO)m were prepared by solid state methods from the binary oxides in sealed Pt-tubes. UV-vis measurements confirm these compounds to be transparent oxides with an optical band gap in the UV region with Eg≈3 eV. Rietveld refinements on powder samples of [Sn0.5Zn0.5]GaO3(ZnO)m proved the compounds to be isostructural with InGaO3(ZnO)m, where In3+ on octahedral sites is replaced statistically by Sn4+ and Zn2+ in equal amounts preserving an average charge of 3+. Additionally, the structure of [Sn0.5Zn0.5]GaO3(ZnO)3 has been determined from flux-grown single crystals by X-ray diffraction (R 3 ̅ m , Z=3, a=3.2387(7) Å, c=41.78(1) Å, 19 parameters, 201 independent reflections, R1=0.047, wR2=0.074). The compound [Sn0.5Zn0.5]GaO3(ZnO)3 is isostructural with InGaO3(ZnO)3. [Sn0.5Zn0.5]GaO3(ZnO)3 was furthermore analyzed by High Angle Annular Dark Field (HAADF) scanning TEM and EELS spectroscopic imaging, supporting the structure model derived from X-ray diffraction data.

Photodecolorisation of melanoidins in vinasse with illuminated TiO2-ZnO/activated carbon composite.

PubMed

Otieno, Benton O; Apollo, Seth O; Naidoo, Bobby E; Ochieng, Aoyi

2017-06-07

A hybrid photo-catalyst, TiO 2 -ZnO, was synthesized by immobilizing ZnO on commercial TiO 2 (aeroxide P25). Activated carbon (AC) was subsequently used to support the hybrid, thus forming a TiO 2 -ZnO/AC composite catalyst. Fourier transform infrared (FTIR) analysis and scanning electron microscopy integrated with energy-dispersive X-ray spectroscopy (SEM-EDX) investigations revealed successful catalyst synthesis. Optical properties of the hybrid determined from photoluminescence (PL) and Ultraviolet-visible (UV-vis) spectroscopy confirmed a restrained recombination of electron-hole pairs and reduced energy band gap due to a successful heterojunction formation. The prepared catalysts were used to photodecolorise vinasse in a 12-W UVC batch photoreactor. TiO 2 -ZnO had improved photocatalytic activity compared with TiO 2 and ZnO separately. On supporting the hybrid onto AC, both adsorption and photocatalytic activities were further enhanced with improved overall color removal of 86% from 68%. Photodecolorisation followed the pseudo-first-order reaction model with the rate constant ([Formula: see text]) observed decreasing from 0.0701 to 0.0436 min -1 on increasing the initial concentration from 5,000 to 14,000 ppm. The UV process was found to be 33-fold less energy intensive for color reduction as compared to total organic carbon (TOC) reduction. Formation of nitrates during the photodecolorisation process was attributed to the mineralization of nitrogen heteroatoms in the color-causing melanoidin compounds.

Blue light emission from ZnO-graphene hybrid quantum dot (Conference Presentation)

NASA Astrophysics Data System (ADS)

Choi, Won Kook; Kim, Hong Hee; Park, Cheolmin; Hwang, Do Kyung; Lee, Yeonju

2017-03-01

One of a wide-bandgap semiconductor, Zinc oxide (ZnO) has a near ultraviolet bandgap (3.37 eV) and an exciton binding energy of 60 meV at room temperature (RT), and has several favorable properties, such as high electron mobility, high oscillator strength, and good transparency. In the photoluminescence (PL) spectra of ZnO nanoparticles, the near band edge ultraviolet (UV) emission at 378 nm relevant to direct bandgap of ZnO, and blue light emissions centered at 410, 435, and 465 nm corresponding to Zn interstitial (Zni) to valence band maximum (VBM), and to Zn vacancies (VZn) and green light emission at 540 nm corresponding to conduction band maximum (CBM) to oxygen vacancy (Vo). Ultra-small size quasi consolidated ZnO-graphene nanoparticles was synthesized in which graphene outer layer was chemically attached with ZnO inner core. After attaching graphene to ZnO, green emission completely disappeared whereas the intensity of blue emission was greatly increased. Enhanced blue emission could be well described by both fast electron transfer from CBM of ZnO to graphene having similar molecular energy level with Zni and transition to VBM and Vzn. Glass/ITO/PEDOT:PSS/poly-TPD/ZnO-graphene/Cs2CO3/Al were fabricated and showed the blue emission centered at 435 nm with FWHM of about 90 nm.

Preparation, characterization and optoelectronic properties of nanodiamonds doped zinc oxide nanomaterials by a ball milling technique

NASA Astrophysics Data System (ADS)

Ullah, Hameed; Sohail, Muhammad; Malik, Uzma; Ali, Naveed; Bangash, Masroor Ahmad; Nawaz, Mohsan

2016-07-01

Zinc oxide (ZnO) is one of the very important metal oxides (MOs) for applications in optoelectronic devices which work in the blue and UV regions. However, to meet the challenges of obtaining ZnO nanomaterials suitable for practical applications, various modifications in physico-chemical properties are highly desirable. One of the ways adopted for altering the properties is to synthesize composite(s) of ZnO with various reinforcements. Here we report on the tuning of optoelectronic properties of ZnO upon doping by nanodiamonds (NDs) using the ball milling technique. A varying weight percent (wt.%) of NDs were ball milled for 2 h with ZnO nanoparticles prepared by a simple precipitation method. The effects of different parameters, the calcination temperature of ZnO, wt.% of NDs and mechanical milling upon the optoelectronic properties of the resulting ZnO-NDs nanocomposites have been investigated. The ZnO-NDs nanocomposites were characterized by IR spectroscopy, powder x-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDX). The UV-vis spectroscopy revealed the alteration in the bandgap energy (Eg ) of ZnO as a function of the calcination temperature of ZnO, changing the concentration of NDs, and mechanical milling of the resulting nanocomposites. The photoluminescence (PL) spectroscopy showed a decrease in the deep level emission (DLE) peaks and an increase in near-band-edge transition peaks as a result of the increasing concentration of NDs. The decrease in DLE and increase in band to band transition peaks were due to the strong interaction between the NDs and the Zn+; consequently, the Zn+ concentration decreased on the interstitial sites.

Structural defects and recombination behavior of excited carriers in Cu(In,Ga)Se{sub 2} solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, J.; Du, H. W.; Li, Y.

2016-08-15

The carriers’ behavior in neutral region (NTR) and space charged region (SCR) of Cu(In,Ga)Se{sub 2} thin film based solar cells has been investigated by temperature dependent photoluminescence (PL-T), electroluminescence (EL-T) and current-voltage (IV-T) from 10 to 300 K. PL-T spectra show that three kinds of defects, namely V{sub Se}, In{sub Cu} and (In{sub Cu}+V{sub Cu}), are localized within the band gap of NTR and SCR of CIGS layer, corresponding to the energy levels of E{sub C}-0.08, E{sub C}-0.20 and E{sub C}-0.25 eV, respectively. The In{sub Cu} and (In{sub Cu}+V{sub Cu}) deep level defects are non-radiative recombination centers at room temperature.more » The IV-T and EL-T analysis reveals that the injection modes of electrons from ZnO conduction band into Cu(In,Ga)Se{sub 2} layer are tunneling, thermally-excited tunneling and thermionic emission under 10-40, 60-160, and 180-300 K, respectively. At 10-160 K, the electrons tunnel into (In{sub Cu}+V{sub Cu}) and V{sub se} defect levels in band gap of SCR and the drifting is involved in the emission bands at 0.96 and 1.07 eV, which is the direct evidence for a tunneling assisted recombination. At 180-300 K, the electrons are directly injected into the Cu(In,Ga)Se{sub 2} conduction band, and the emission of 1.13 eV are ascribed to the transitions from the conduction band to the valence band.« less

Spatial atomic layer deposition of ZnO/TiO{sub 2} nanolaminates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Rong, E-mail: rongchen@mail.hust.edu.cn; Lin, Ji-Long; He, Wen-Jie

2016-09-15

Spatial atomic layer deposition (S-ALD) is a potential high-throughput manufacturing technique offering fast and large scale ultrathin films deposition. Here, an S-ALD system with modular injectors is introduced for fabricating binary oxides and their nanolaminates. By optimizing the deposition conditions, both ZnO and TiO{sub 2} films demonstrate linear growth and desired surface morphology. The as-deposited ZnO film has high carrier mobility, and the TiO{sub 2} film shows suitable optical transmittance and band gap. The ZnO/TiO{sub 2} nanolaminates are fabricated by alternating substrate movement between each S-ALD modular units of ZnO and TiO{sub 2}. The grazing incidence x-ray diffraction spectra ofmore » nanolaminates demonstrating the signature peaks are weaker for the same thickness nanolaminates with more bilayers, suggesting tuning nanolaminates from crystalline to amorphous. Optical transmittances of ZnO/TiO{sub 2} laminates are enhanced with the increase of the bilayers' number in the visible range. Refractive indices of nanolaminates increase with the thickness of each bilayer decreasing, which demonstrates the feasibility of obtaining desired refractive indices by controlling the bilayer number. The electronic properties, including mobility, carrier concentration, and conductivity, are also tunable with different bilayers.« less

Synergistic effect of Indium and Gallium co-doping on growth behavior and physical properties of hydrothermally grown ZnO nanorods.

PubMed

Lim, Jun Hyung; Lee, Seung Muk; Kim, Hyun-Suk; Kim, Hyun You; Park, Jozeph; Jung, Seung-Boo; Park, Geun Chul; Kim, Jungho; Joo, Jinho

2017-02-03

We synthesized ZnO nanorods (NRs) using simple hydrothermal method, with the simultaneous incorporation of gallium (Ga) and indium (In), in addition, investigated the co-doping effect on the morphology, microstructure, electronic structure, and electrical/optical properties. The growth behavior of the doped NRs was affected by the nuclei density and polarity of the (001) plane. The c-axis parameter of the co-doped NRs was similar to that of undoped NRs due to the compensated lattice distortion caused by the presence of dopants that are both larger (In 3+ ) and smaller (Ga 3+ ) than the host Zn 2+ cations. Red shifts in the ultraviolet emission peaks were observed in all doped NRs, owing to the combined effects of NR size, band gap renormalization, and the presence of stacking faults created by the dopant-induced lattice distortions. In addition, the NR/p-GaN diodes using co-doped NRs exhibited superior electrical conductivity compared to the other specimens due to the increase in the charge carrier density of NRs and the relatively large effective contact area of (001) planes. The simultaneous doping of In and Ga is therefore anticipated to provide a broader range of optical, physical, and electrical properties of ZnO NRs for a variety of opto-electronic applications.

Toxicity of ZnO and TiO2 to Escherichia coli cells

PubMed Central

Leung, Yu Hang; Xu, Xiaoying; Ma, Angel P. Y.; Liu, Fangzhou; Ng, Alan M. C.; Shen, Zhiyong; Gethings, Lee A.; Guo, Mu Yao; Djurišić, Aleksandra B.; Lee, Patrick K. H.; Lee, Hung Kay; Chan, Wai Kin; Leung, Frederick C. C.

2016-01-01

We performed a comprehensive investigation of the toxicity of ZnO and TiO2 nanoparticles using Escherichia coli as a model organism. Both materials are wide band gap n-type semiconductors and they can interact with lipopolysaccharide molecules present in the outer membrane of E. coli, as well as produce reactive oxygen species (ROS) under UV illumination. Despite the similarities in their properties, the response of the bacteria to the two nanomaterials was fundamentally different. When the ROS generation is observed, the toxicity of nanomaterial is commonly attributed to oxidative stress and cell membrane damage caused by lipid peroxidation. However, we found that significant toxicity does not necessarily correlate with up-regulation of ROS-related proteins. TiO2 exhibited significant antibacterial activity, but the protein expression profile of bacteria exposed to TiO2 was different compared to H2O2 and the ROS-related proteins were not strongly expressed. On the other hand, ZnO exhibited lower antibacterial activity compared to TiO2, and the bacterial response involved up-regulating ROS-related proteins similar to the bacterial response to the exposure to H2O2. Reasons for the observed differences in toxicity and bacterial response to the two metal oxides are discussed. PMID:27731373

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pal, Bappaditya, E-mail: b.pal@iitg.ernet.in; Sarkar, D.; Giri, P. K.

We report on the room temperature ferromagnetism (RT FM) in the Zn{sub 1−x}Ni{sub x}O (x = 0, 0.03, and 0.05) nanoparticles (NPs) synthesized by a ball milling technique. X-ray diffraction analysis confirms the single crystalline ZnO wurtzite structure with presence of small intensity secondary phase related peak which disappear with increasing milling time for Ni doped samples. HRTEM lattice images show that the doped NPs are single crystalline with a dspacing of 2.44 Å. Energy-dispersive X-ray spectroscopy analysis confirms the presence of Ni ions in the ZnO matrix. Magnetic measurement (RT) exhibits the hysteresis loop with saturation magnetization (M{sub s})more » of 1.6–2.56 (emu/g) and coercive field (H{sub c}) of 296–322 Oe. M-T measurement shows a Curie temperature of the order of 325°C for 3% Ni doped sample. Micro -Raman studies show doping/disorder induced additional modes at ∼510, 547, 572 cm{sup −1} in addition to 437 cm{sup −1} peak of pure ZnO. UV-Vis absorption spectra illustrate band gap shift due to doping. Alteration of M{sub s} value with the variation of doping concentration and milling time has been studied and discussed.« less

Synergistic effect of Indium and Gallium co-doping on growth behavior and physical properties of hydrothermally grown ZnO nanorods

NASA Astrophysics Data System (ADS)

Lim, Jun Hyung; Lee, Seung Muk; Kim, Hyun-Suk; Kim, Hyun You; Park, Jozeph; Jung, Seung-Boo; Park, Geun Chul; Kim, Jungho; Joo, Jinho

2017-02-01

We synthesized ZnO nanorods (NRs) using simple hydrothermal method, with the simultaneous incorporation of gallium (Ga) and indium (In), in addition, investigated the co-doping effect on the morphology, microstructure, electronic structure, and electrical/optical properties. The growth behavior of the doped NRs was affected by the nuclei density and polarity of the (001) plane. The c-axis parameter of the co-doped NRs was similar to that of undoped NRs due to the compensated lattice distortion caused by the presence of dopants that are both larger (In3+) and smaller (Ga3+) than the host Zn2+ cations. Red shifts in the ultraviolet emission peaks were observed in all doped NRs, owing to the combined effects of NR size, band gap renormalization, and the presence of stacking faults created by the dopant-induced lattice distortions. In addition, the NR/p-GaN diodes using co-doped NRs exhibited superior electrical conductivity compared to the other specimens due to the increase in the charge carrier density of NRs and the relatively large effective contact area of (001) planes. The simultaneous doping of In and Ga is therefore anticipated to provide a broader range of optical, physical, and electrical properties of ZnO NRs for a variety of opto-electronic applications.

Fabrication and Characterization of Hybrid Organic-Inorganic Electron Extraction Layers for Polymer Solar Cells toward Improved Processing Robustness and Air Stability.

PubMed

Fredj, Donia; Pourcin, Florent; Alkarsifi, Riva; Kilinc, Volkan; Liu, Xianjie; Ben Dkhil, Sadok; Boudjada, Nassira Chniba; Fahlman, Mats; Videlot-Ackermann, Christine; Margeat, Olivier; Ackermann, Jörg; Boujelbene, Mohamed

2018-05-23

Organic-inorganic hybrid materials composed of bismuth and diaminopyridine are studied as novel materials for electron extraction layers in polymer solar cells using regular device structures. The hybrid materials are solution processed on top of two different low band gap polymers (PTB7 or PTB7-Th) as donor materials mixed with fullerene PC 70 BM as the acceptor. The intercalation of the hybrid layer between the photoactive layer and the aluminum cathode leads to solar cells with a power conversion efficiency of 7.8% because of significant improvements in all photovoltaic parameters, that is, short-circuit current density, fill factor, and open-circuit voltage, similar to the reference devices using ZnO as the interfacial layer. However when using thick layers of such hybrid materials for electron extraction, only small losses in photocurrent density are observed in contrast to the reference material ZnO of pronounced losses because of optical spacer effects. Importantly, these hybrid electron extraction layers also strongly improve the device stability in air compared with solar cells processed with ZnO interlayers. Both results underline the high potential of this new class of hybrid materials as electron extraction materials toward robust processing of air stable organic solar cells.

Nanoscale wide-band semiconductors for photocatalytic remediation of aquatic pollution.

PubMed

Sarkar, Biplab; Daware, Akshay Vishnu; Gupta, Priya; Krishnani, Kishore Kumar; Baruah, Sunandan; Bhattacharjee, Surajit

2017-11-01

Water pollution is a serious challenge to the public health. Among different forms of aquatic pollutants, chemical and biological agents create paramount threat to water quality when the safety standards are surpassed. There are many conventional remediatory strategies that are practiced such as resin-based exchanger and activated charcoal/carbon andreverse osmosis. Newer technologies using plants, microorganisms, genetic engineering, and enzyme-based approaches are also proposed for aquatic pollution management. However, the conventional technologies have shown impending inadequacies. On the other hand, new bio-based techniques have failed to exhibit reproducibility, wide specificity, and fidelity in field conditions. Hence, to solve these shortcomings, nanotechnology ushered a ray of hope by applying nanoscale zinc oxide (ZnO), titanium dioxide (TiO 2 ), and tungsten oxide (WO 3 ) particles for the remediation of water pollution. These nanophotocatalysts are active, cost-effective, quicker in action, and can be implemented at a larger scale. These nanoparticles are climate-independent, assist in complete mineralization of pollutants, and can act non-specifically against chemically and biologically based aquatic pollutants. Photocatalysis for environmental remediation depends on the availability of solar light. The mechanism of photocatalysis involves the formation of electron-hole pairs upon light irradiations at intensities higher than their band gap energies. In the present review, different methods of synthesis of nanoscale ZnO, TiO 2 , and WO 3 as well as their structural characterizations have been discussed. Photodegradation of organic pollutants through mentioned nanoparticles has been reviewed with recent advancements. Enhancing the efficacy of photocatalysis through doping of TiO 2 and ZnO nanoparticles with non-metals, metals, and metal ions has also been documented in this report.

Buckminsterfullerene hybridized zinc oxide tetrapods: defects and charge transfer induced optical and electrical response.

PubMed

Smazna, Daria; Rodrigues, Joana; Shree, Sindu; Postica, Vasile; Neubüser, Gero; Martins, A F; Ben Sedrine, N; Jena, Naresh K; Siebert, Leonard; Schütt, Fabian; Lupan, Oleg; Ahuja, Rajeev; Correia, M R; Monteiro, Teresa; Kienle, Lorenz; Yang, Ya; Adelung, Rainer; Mishra, Yogendra Kumar

2018-05-21

Buckminster fullerene (C60) based hybrid metal oxide materials are receiving considerable attention because of their excellent fundamental and applied aspects, like semiconducting, electron transfer, luminescent behaviors, etc. and this work briefly discusses the successful fabrication of C60 decorated ZnO tetrapod materials and their detailed structure-property relationships including device sensing applications. The electron microscopy investigations indicate that a quite dense surface coverage of ZnO tetrapods with C60 clusters is achieved. The spectroscopy studies confirmed the identification of the C60 vibrational modes and the C60 induced changes in the absorption and luminescence properties of the ZnO tetrapods. An increased C60 concentration on ZnO results in steeper ZnO bandgap absorption followed by well-defined free exciton and 3.31 eV line emissions. As expected, higher amounts of C60 increase the intensity of C60-related visible absorption bands. Pumping the samples with photons with an energy corresponding to these absorption band maxima leads to additional emission from ZnO showing an effective charge transfer phenomenon from C60 to the ZnO host. The density of states model obtained from DFT studies for pure and C60 coated ZnO surfaces confirms the experimental observations. The fabricated C60-ZnO hybrid tetrapod based micro- and nanodevices showed interesting ethanol gas sensing characteristics.

Effect of gamma radiation on the optical and structural properties of ZnO nanowires with various diameters

NASA Astrophysics Data System (ADS)

Reyhani, A.; Gholizadeh, A.; vahedi, V.; Khanlary, M. R.

2018-01-01

The effects of gamma-irradiation are studied on the morphology and structural properties of ZnO nanowire with various diameters. The ZnO nanowires are grown using Zn thin films at various initial thicknesses including 125, 250 and 500 nm in air ambient. The results illustrate dramatic effects of Gamma-irradiation on the deformation of ZnO nanowires. Thus, radiation induce ripple ZnO surfaces instead ZnO nanowires. Gamma-irradiation has also been effective on the optical and crystalline properties of the nanowires. X-ray diffraction attests that size of the ZnO nano-structures has changed and (l00) crystalline direction related to Zn metal has been created after irradiation. UV-Visible spectra display two areas for transmittance of irradiated ZnO nanowires, one in the Visible-light and the other in IR sub-region. In the Visible-light area, the layer gets thicker from 125 to 500 nm; the difference between the layer transmittance spectra is reduced before and after gamma irradiation. In the IR-light region, with increasing of ZnO initial thickness, the difference between the layer transmittance spectra is increased before and after gamma irradiation. The photoluminescence spectroscopy displays that intensity of green-yellow band improves in compared to near-band-edge emission due to formation of Zn metal and oxygen vacancies after gamma irradiation.

Characterization of ZnO:SnO{sub 2} (50:50) thin film deposited by RF magnetron sputtering technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cynthia, S. R.; Sanjeeviraja, C.; Ponmudi, S.

2016-05-06

Zinc oxide (ZnO) and tin oxide (SnO{sub 2}) thin films have attracted significant interest recently for use in optoelectronic application such as solar cells, flat panel displays, photonic devices, laser diodes and gas sensors because of their desirable electrical and optical properties and wide band gap. In the present study, thin films of ZnO:SnO{sub 2} (50:50) were deposited on pre-cleaned microscopic glass substrate by RF magnetron sputtering technique. The substrate temperature and RF power induced changes in structural, surface morphological, compositional and optical properties of the films have been studied.

Nanophotonics: Energy Transfer towards Enhanced Luminescent Chemosensing

PubMed Central

Aad, Roy; Couteau, Christophe; Lérondel, Gilles

2015-01-01

We discuss a recently proposed novel photonic approach for enhancing the fluorescence of extremely thin chemosensing polymer layers. We present theoretical and experimental results demonstrating the concept of gain-assisted waveguided energy transfer (G-WET) on a very thin polymer nanolayer spincoated on an active ZnO thin film. The G-WET approach is shown to result in an 8-fold increase in polymer fluorescence. We then extend the G-WET concept to nanostructured media. The benefits of using active nanostructured substrates on the sensitivity and fluorescence of chemosensing polymers are discussed. Preliminary theoretical results on enlarged sensing surface and photonic band-gap are presented. PMID:28788025

High quality boron carbon nitride/ZnO-nanorods p-n heterojunctions based on magnetron sputtered boron carbon nitride films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, J. C.; Department of Engineering Physics, Polytechnique Montréal, Montreal, Quebec H3A 3A7; Jha, S. K., E-mail: skylec@gmail.com, E-mail: apwjzh@cityu.edu.hk

2014-11-10

Boron carbon nitride (BCN) films were synthesized on Si (100) and fused silica substrates by radio-frequency magnetron sputtering from a B{sub 4}C target in an Ar/N{sub 2} gas mixture. The BCN films were amorphous, and they exhibited an optical band gap of ∼1.0 eV and p-type conductivity. The BCN films were over-coated with ZnO nanorod arrays using hydrothermal synthesis to form BCN/ZnO-nanorods p-n heterojunctions, exhibiting a rectification ratio of 1500 at bias voltages of ±5 V.

Abs-initio, Predictive Calculations for Optoelectronic and Advanced Materials Research

NASA Astrophysics Data System (ADS)

Bagayoko, Diola

2010-10-01

Most density functional theory (DFT) calculations find band gaps that are 30-50 percent smaller than the experimental ones. Some explanations of this serious underestimation by theory include self-interaction and the derivative discontinuity of the exchange correlation energy. Several approaches have been developed in the search for a solution to this problem. Most of them entail some modification of DFT potentials. The Green function and screened Coulomb approximation (GWA) is a non-DFT formalism that has led to some improvements. Despite these efforts, the underestimation problem has mostly persisted in the literature. Using the Rayleigh theorem, we describe a basis set and variational effect inherently associated with calculations that employ a linear combination of atomic orbitals (LCAO) in a variational approach of the Rayleigh-Ritz type. This description concomitantly shows a source of large underestimation errors in calculated band gaps, i.e., an often dramatic lowering of some unoccupied energies on account of the Rayleigh theorem as opposed to a physical interaction. We present the Bagayoko, Zhao, and Williams (BZW) method [Phys. Rev. B 60, 1563 (1999); PRB 74, 245214 (2006); and J. Appl. Phys. 103, 096101 (2008)] that systematically avoids this effect and leads (a) to DFT and LDA calculated band gaps of semiconductors in agreement with experiment and (b) theoretical predictions of band gaps that are confirmed by experiment. Unlike most calculations, BZW computations solve, self-consistently, a system of two coupled equations. DFT-BZW calculated effective masses and optical properties (dielectric functions) also agree with measurements. We illustrate ten years of success of the BZW method with its results for GaN, C, Si, 3C-SIC, 4H-SiC, ZnO, AlAs, Ge, ZnSe, w-InN, c-InN, InAs, CdS, AlN and nanostructures. We conclude with potential applications of the BZW method in optoelectronic and advanced materials research.

One-dimensional ZnO nanostructures.

PubMed

Jayadevan, K P; Tseng, T Y

2012-06-01

The wide-gap semiconductor ZnO with nanostructures such as nanoparticle, nanorod, nanowire, nanobelt, nanotube has high potential for a variety of applications. This article reviews the fundamentals of one-dimensional ZnO nanostructures, including processing, structure, property, application and their processing-microstructure-property correlation. Various fabrication methods of the ZnO nanostructures including vapor-liquid-solid process, vapor-solid growth, solution growth, solvothermal growth, template-assisted growth and self-assembly are introduced. The characterization and properties of the ZnO nanostructures are described. The possible applications of these nanostructures are also discussed.

Band alignment and optical response of facile grown NiO/ZnO nano-heterojunctions

NASA Astrophysics Data System (ADS)

Sultan, Muhammad; Mumtaz, Sundas; Ali, Asad; Khan, Muhammad Yaqoob; Iqbal, Tahir

2017-12-01

ZnO nanorods decorated by NiO nanostructures were fabricated using facile chemical route. The nanorods of ZnO were prepared by using chemical bath deposition technique and subsequently decorated by NiO using sol-gel spin coating. The density and orientation of the ZnO nanorods was controlled through the seed layer with preferential growth along c-axis and hexagonal face. X-Ray Photoelectron Spectroscopy (XPS) analysis was used to confirm stoichiometry of the materials and band alignment study of the heterostructures. Type-II band alignment was observed from the experimental results. The IV characteristics of the device depicting rectifying behavior at different temperatures were observed with photocurrent generation in response to light excitation. The electrical properties reported in this study are in line with earlier work where heterojunctions were fabricated by physical deposition techniques.

Near band edge emission characteristics of sputtered nano-crystalline ZnO films

NASA Astrophysics Data System (ADS)

Kunj, Saurabh; Sreenivas, K.

2016-05-01

Sputtered zinc oxide (ZnO) thin films deposited on unheated glass substrate under different sputtering gas mixtures (Ar+O2) have been investigated using X-ray diffraction and photo luminescence spectroscopy. Earlier reported studies on ZnO films prepared by different techniques exhibit either a sharp/broad near band edge (NBE) emission peak depending on the crystalline quality of the film. In the present study zinc oxide films, grown on unheated substrates, are seen to possess a preferred (002) orientation with a microstructure consisting of clustered nano-sized crystallites. The splitting in the near band edge emission (NBE) into three characteristic peaks is attributed to quantum confinement effect, and is observed specifically under an excitation of 270 nm. Deep level emission (DLE) in the range 400 to 700 nm is not observed indicating absence of deep level radiative defects.

Time dependent rise and decay of photocurrent in zinc oxide nanoparticles in ambient and vacuum medium

NASA Astrophysics Data System (ADS)

C, Rajkumar; Srivastava, Rajneesh K.

2018-05-01

Zinc oxide (ZnO) nanoparticle has been synthesized by cost effective Co-precipitation method and studied its photo-response activity. The synthesized ZnO nanomaterial was characterized by using various analytical techniques such as x-ray diffraction (XRD), UV–visible spectroscopy, FTIR spectroscopy, photoluminescence (PL) spectroscopy, and Scanning Electron Microscopy (SEM). From the XRD results, it is confirmed that synthesized ZnO nanomaterial possess hexagonal wurtzite phase structure with an average crystallite size of ∼16–17 nm. The UV-Visible absorption spectrum shows that it has blue shift compared to their bulk counterparts. Photoluminescence spectra of ZnO nanoparticles have a strong violet band at 423 nm and three weak bands at 485 nm (blue), 506 nm (green), and 529 nm (green). The presence of hydroxyl group was confirmed by FTIR. The photo-response analysis was studied by the time-dependent rise and decay photocurrent of ZnO nanoparticle was tested in the air as well as vacuum medium.

Systematic approach on the fabrication of Co doped ZnO semiconducting nanoparticles by mixture of fuel approach for Antibacterial applications

NASA Astrophysics Data System (ADS)

Rajendar, V.; Dayakar, T.; Shobhan, K.; Srikanth, I.; Venkateswara Rao, K.

2014-11-01

Zinc oxide (ZnO) is a wide band gap semiconductor (3.2 eV) with a high exciton binding energy (60 meV), where it has wide applications in advanced spintronic devices. The theoretical prediction of room temperature ferromagnetism and also antibacterial activity will be possible through the investigation of diluted magnetic semiconductors (DMS), such as transition metal doped ZnO, especially Cobalt doped ZnO. The aim of the work is the synthesis of Cobalt (Co) doped ZnO nanopowders were prepared Zn1-xCoxO (0 ⩽ x ⩾ 0.09) nanopowders from Sol-Gel auto combustion method have been synthesized with precursors such as Zinc and Cobalt nitrates with the assistance Ammonium acetate & Urea as fuel by increasing the cobalt concentration in zinc oxide and their structural, morphological, optical, Thermal, magnetic and antibacterial properties were studied by X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Transmission Electron microscope (TEM), UV-visible spectroscopy, thermo gravimetric/differential thermal analysis (TG/DTA) and vibrating sample magneto meter (VSM). From the antibacterial studies, against gram positive Bacillus subtilis bacteria is most abundant bacteria in soil and indoor atmosphere, which affects the stored spintronic devices so that the devices should be made with antibacterial activity of DMS like Co doped ZnO. In this article is found that ZnO:Co nanopowders with higher Co doping level (0.07 and 0.09 wt%) exhibit good antibacterial efficiency. The magnetization curves obtained using vibrating sample magnetometer (VSM) show a sign of strong room temperature ferromagnetic behavior when the Co doping level is 0.05 wt% and a weak room temperature ferromagnetic behavior Co doping level is below 0.07 wt%, and also they found to exhibit antiferromagnetic and paramagnetic properties, when the Co doping levels are 0.07 and 0.09 wt%, respectively, to enhance and increase the special magnetic and antibacterial property for sophisticated devices for the sustainable technologies.

Preparation, structural and luminescent properties of nanocrystalline ZnO films doped Ag by close space sublimation method

NASA Astrophysics Data System (ADS)

Khomchenko, Viktoriya; Mazin, Mikhail; Sopinskyy, Mykola; Lytvyn, Oksana; Dan'ko, Viktor; Piryatinskii, Yurii; Demydiuk, Pavlo

2018-05-01

The simple way for silver doping of ZnO films is presented. The ZnO films were prepared by reactive rf-magnetron sputtering on silicon and sapphire substrates. Ag doping is carried out by sublimation of the Ag source located at close space at atmospheric pressure in air. Then the ZnO and ZnO-Ag films were annealed in wet media. The microstructure and optical properties of the films were compared and studied by atomic force microscopy (AFM), X-ray diffraction (XRD), photoluminescence (PL) and cathodoluminescence (CL). XRD results indicated that all the ZnO films have a polycrystalline hexagonal structure and a preferred orientation with the c-axis perpendicular to the substrate. The annealing and Ag doping promote increasing grain's sizes and modification of grain size distribution. The effect of substrate temperature, substrate type, Ag doping and post-growth annealing of the films was studied by PL spectroscopy. The effect of Ag doping was obvious and identical for all the films, namely the wide visible bands of PL spectra are suppressed by Ag doping. The intensity of ultraviolet band increased 15 times as compared to their reference films on sapphire substrate. The ultraviolet/visible emission ratio was 20. The full width at half maximum (FWHM) for a 380 nm band was 14 nm, which is comparable with that of epitaxial ZnO. The data implies the high quality of ZnO-Ag films. Possible mechanisms to enhance UV emission are discussed.

Effect of Embedded Pd Microstructures on the Flat-Band-Voltage Operation of Room Temperature ZnO-Based Liquid Petroleum Gas Sensors

PubMed Central

Ali, Ghusoon M.; Thompson, Cody V.; Jasim, Ali K.; Abdulbaqi, Isam M.; Moore, James C.

2013-01-01

Three methods were used to fabricate ZnO-based room temperature liquid petroleum gas (LPG) sensors having interdigitated metal-semiconductor-metal (MSM) structures. Specifically, devices with Pd Schottky contacts were fabricated with: (1) un-doped ZnO active layers; (2) Pd-doped ZnO active layers; and (3) un-doped ZnO layers on top of Pd microstructure arrays. All ZnO films were grown on p-type Si(111) substrates by the sol-gel method. For devices incorporating a microstructure array, Pd islands were first grown on the substrate by thermal evaporation using a 100 μm mesh shadow mask. We have estimated the sensitivity of the sensors for applied voltage from –5 to 5 V in air ambient, as well as with exposure to LPG in concentrations from 500 to 3,500 ppm at room temperature (300 K). The current-voltage characteristics were studied and parameters such as leakage current, barrier height, reach-through voltage, and flat-band voltage were extracted. We include contributions due to the barrier height dependence on the electric field and tunneling through the barrier for the studied MSM devices. The Pd-enhanced devices demonstrated a maximum gas response at flat-band voltages. The study also revealed that active layers consisting of Pd microstructure embedded ZnO films resulted in devices exhibiting greater gas-response as compared to those using Pd-doped ZnO thin films or un-doped active layers.

Plasmon-Assisted Efficiency Enhancement of Eu3+-Doped Tellurite Glass-Covered Solar Cells

NASA Astrophysics Data System (ADS)

Lima, Bismarck C.; Gómez-Malagón, L. A.; Gomes, A. S. L.; Garcia, J. A. M.; Kassab, L. R. P.

2017-12-01

Rare-earth-doped tellurite glass containing metallic nanoparticles can be exploited to manage the solar spectrum in order to increase solar cell efficiency. It is therefore possible to modify the incident solar spectrum profile to the spectrum that optimizes the solar cell recombination process by covering the solar cell with plasmonic luminescent downshifting layers. With this approach, the losses due to thermalization are minimized and the efficiency is increased. Due to the down-conversion process that couples the plasmon resonance of the metallic nanoparticles and the rare-earth electronic energy levels, it is possible to convert photons from the ultraviolet region to the visible and near-band-gap region of the semiconductor. It is demonstrated here that plasmon-assisted efficiency enhancements of 14.0% and 34.5% can be obtained for commercial Si and GaP solar cells, respectively, covered with Eu3+-doped TeO2-ZnO glass containing silver nanoparticles.

Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datta, Soumendu, E-mail: soumendu@bose.res.in; Baral, Sayan; Mookerjee, Abhijit

2015-08-28

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO){sub 24} nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO){sub 24} nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The presentmore » study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.« less

Enhanced room temperature ferromagnetism in electrodeposited Co-doped ZnO nanostructured thin films by controlling the oxygen vacancy defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simimol, A.; Department of Physics, National Institute of Technology Calicut, Calicut 673601; Anappara, Aji A.

We report the growth of un-doped and cobalt doped ZnO nanostructures fabricated on FTO coated glass substrates using electrodeposition method. A detailed study on the effects of dopant concentration on morphology, structural, optical, and magnetic properties of the ZnO nanostructures has been carried out systematically by varying the Co concentration (c.{sub Co}) from 0.01 to 1 mM. For c.{sub Co }≤ 0.2 mM, h-wurtzite phase with no secondary phases of Co were present in the ZnO nanostructures. For c.{sub Co} ≤ 0.2 mM, the photoluminescence spectra exhibited a decrease in the intensity of ultraviolet emission as well as band-gap narrowing with an increase in dopantmore » concentration. All the doped samples displayed a broad emission in the visible range and its intensity increased with an increase in Co concentration. It was found that the defect centers such as oxygen vacancies and zinc interstitials were the source of the visible emission. The X-ray photoelectron spectroscopy studies revealed, Co was primarily in the divalent state, replacing the Zn ion inside the tetrahedral crystal site of ZnO without forming any cluster or secondary phases of Co. The un-doped ZnO nanorods exhibited diamagnetic behavior and it remained up to a c.{sub Co} of 0.05 mM, while for c.{sub Co }> 0.05 mM, the ZnO nanostructures exhibited ferromagnetic behavior at room temperature. The coercivity increased to 695 G for 0.2 mM Co-doped sample and then it decreased for c.{sub Co }> 0.2 mM. Our results illustrate that up to a threshold concentration of 0.2 mM, the strong ferromagnetism is due to the oxygen vacancy defects centers, which exist in the Co-doped ZnO nanostructures. The origin of strong ferromagnetism at room temperature in Co-doped ZnO nanostructures is attributed to the s-d exchange interaction between the localized spin moments resulting from the oxygen vacancies and d electrons of Co{sup 2+} ions. Our findings provide a new insight for tuning the defect density by precisely controlling the dopant concentration in order to get the desired magnetic behavior at room temperature.« less

Ultraviolet emission enhancement in ZnO thin films modified by nanocrystalline TiO2

NASA Astrophysics Data System (ADS)

Zheng, Gaige; Lu, Xi; Qian, Liming; Xian, Fenglin

2017-05-01

In this study, nanocrystalline TiO2 modified ZnO thin films were prepared by electron beam evaporation. The structural, morphological and optical properties of the samples were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), UV-visible spectroscopy, fluorescence spectroscopy, respectively. The composition of the films was examined by energy dispersive X-ray spectroscopy (EDX). The photoluminescent spectrum shows that the pure ZnO thin film exhibits an ultraviolet (UV) emission peak and a strong green emission band. Surface analysis indicates that the ZnO thin film contains many oxygen vacancy defects on the surface. After the ZnO thin film is modified by the nanocrystalline TiO2 layer, the UV emission of ZnO is largely enhanced and the green emission is greatly suppressed, which suggests that the surface defects such as oxygen vacancies are passivated by the TiO2 capping layer. As for the UV emission enhancement of the ZnO thin film, the optimized thickness of the TiO2 capping layer is ∼16 nm. When the thickness is larger than 16 nm, the UV emission of the ZnO thin film will decrease because the TiO2 capping layer absorbs most of the excitation energy. The UV emission enhancement in the nanocrystalline TiO2 modified ZnO thin film can be attributed to surface passivation and flat band effect.

Crystal Structure Characterization of Thin Layer Zinc Oxide

NASA Astrophysics Data System (ADS)

Doyan, Aris; Susilawati; Azizatul Fitri, Siti; Ahzan, Sukainil

2017-05-01

In this research the characterization of the crystal structure of a thin layer of ZnO (zinc oxide) were synthesized by sol - gel method and spin coating deposited on a glass substrate. The samples were divided into three sol concentrations of 0.1, 0.3, 0.5 Molar and two deposition temperature is 350 °C, and 550 °C. UV-Vis. spectrophotometer results showed that in the spectrum of visible light (wavelength range 300-800 nm) has a transmittance value of which increases with increasing concentration and temperature deposition of zinc oxide, otherwise the value of the absorption and the band gap energy decreases with the addition of concentration and deposition temperature. The transmittances value of the highest and lowest absorption was 93.5% and 0.03 is at a concentration of 0.1 M and zinc oxide deposition temperature of 550 °C, with a value of band gap energy of 2.98 eV. The XRD results showed that the zinc oxide crystal orientation in the field of 013 with a crystal grain size 14.4472 nm. SEM results showed the surface morphology of zinc oxide such as rod-like.

Multicolor emission from intermediate band semiconductor ZnO 1-xSe x

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welna, M.; Baranowski, M.; Linhart, W. M.

Photoluminescence and photomodulated reflectivity measurements of ZnOSe alloys are used to demonstrate a splitting of the valence band due to the band anticrossing interaction between localized Se states and the extended valence band states of the host ZnO matrix. A strong multiband emission associated with optical transitions from the conduction band to lower E - and upper E + valence subbands has been observed at room temperature. The composition dependence of the optical transition energies is well explained by the electronic band structure calculated using the kp method combined with the band anticrossing model. The observation of the multiband emissionmore » is possible because of relatively long recombination lifetimes. Longer than 1 ns lifetimes for holes photoexcited to the lower valence subband offer a potential of using the alloy as an intermediate band semiconductor for solar power conversion applications.« less

Multicolor emission from intermediate band semiconductor ZnO 1-xSe x

DOE PAGES

Welna, M.; Baranowski, M.; Linhart, W. M.; ...

2017-03-13

Photoluminescence and photomodulated reflectivity measurements of ZnOSe alloys are used to demonstrate a splitting of the valence band due to the band anticrossing interaction between localized Se states and the extended valence band states of the host ZnO matrix. A strong multiband emission associated with optical transitions from the conduction band to lower E - and upper E + valence subbands has been observed at room temperature. The composition dependence of the optical transition energies is well explained by the electronic band structure calculated using the kp method combined with the band anticrossing model. The observation of the multiband emissionmore » is possible because of relatively long recombination lifetimes. Longer than 1 ns lifetimes for holes photoexcited to the lower valence subband offer a potential of using the alloy as an intermediate band semiconductor for solar power conversion applications.« less

Strain-Gated Field Effect Transistor of a MoS2-ZnO 2D-1D Hybrid Structure.

PubMed

Chen, Libo; Xue, Fei; Li, Xiaohui; Huang, Xin; Wang, Longfei; Kou, Jinzong; Wang, Zhong Lin

2016-01-26

Two-dimensional (2D) molybdenum disulfide (MoS2) is an exciting material due to its unique electrical, optical, and piezoelectric properties. Owing to an intrinsic band gap of 1.2-1.9 eV, monolayer or a-few-layer MoS2 is used for fabricating field effect transistors (FETs) with high electron mobility and on/off ratio. However, the traditional FETs are controlled by an externally supplied gate voltage, which may not be sensitive enough to directly interface with a mechanical stimulus for applications in electronic skin. Here we report a type of top-pressure/force-gated field effect transistors (PGFETs) based on a hybrid structure of a 2D MoS2 flake and 1D ZnO nanowire (NW) array. Once an external pressure is applied, the piezoelectric polarization charges created at the tips of ZnO NWs grown on MoS2 act as a gate voltage to tune/control the source-drain transport property in MoS2. At a 6.25 MPa applied stimulus on a packaged device, the source-drain current can be tuned for ∼25%, equivalent to the results of applying an extra -5 V back gate voltage. Another type of PGFET with a dielectric layer (Al2O3) sandwiched between MoS2 and ZnO also shows consistent results. A theoretical model is proposed to interpret the received data. This study sets the foundation for applying the 2D material-based FETs in the field of artificial intelligence.

Effect of Different Activated Carbon as Carrier on the Photocatalytic Activity of Ag-N-ZnO Photocatalyst for Methyl Orange Degradation under Visible Light Irradiation

PubMed Central

Chen, Xiaoqing; Gao, Zhenzhen; Ye, Bang-Ce

2017-01-01

In order to enhance the photodegradation of methyl orange (MO) by ZnO under visible light irradiation, ZnO nanoparticles co-doped with Ag and N and supported on activated carbon (AC) with different properties were synthesized through the sol-gel method. The prepared photocatalysts were characterized in terms of the structure and properties through X-ray diffraction, N2 adsorption-desorption, ultraviolet-visible (UV-vis), diffuse reflectance spectroscopy, X-ray photoelectron spectroscopy, photoluminescence, and electron spin resonance. The photocatalytic activities of these photocatalysts followed the order: Ag-N-ZnO/ACs > Ag-N-ZnO > N, or Ag single-doped ZnO > commercial ZnO. This result was attributed to the small particle size, large surface area, narrow band gap, and high charge separation of Ag-N-ZnO/ACs. The Ag-N-ZnO/coconut husk activated carbon (Ag-N-ZnO/CHAC) exhibited the highest degradation efficiency of 98.82% for MO under visible light irradiation. This outcome was due to the abundant pore structure of Ag-N-ZnO/CHAC, resulting in stronger adsorption than that of other Ag-N-ZnO/ACs. Moreover, the degradation of MO on photocatalysis followed first order kinetics. The reactive species ·OH and ·O2− played more important roles in the photocatalytic degradation of MO over composite photocatalyst. Ag-N-ZnO/CHAC photocatalyst exhibited higher photocatalytic activity than unsupported Ag-N-ZnO after five recycling runs. PMID:28872593

Influence of a Boron Precursor on the Growth and Optoelectronic Properties of Electrodeposited Zinc Oxide Thin Film.

PubMed

Tsin, Fabien; Thomere, Angélica; Bris, Arthur Le; Collin, Stéphane; Lincot, Daniel; Rousset, Jean

2016-05-18

Highly transparent and conductive materials are required for many industrial applications. One of the interesting features of ZnO is the possibility to dope it using different elements, hence improving its conductivity. Results concerning the zinc oxide thin films electrodeposited in a zinc perchlorate medium containing a boron precursor are presented in this study. The addition of boron to the electrolyte leads to significant effects on the morphology and crystalline structure as well as an evolution of the optical properties of the material. Varying the concentration of boric acid from 0 to 15 mM strongly improves the compactness of the deposit and increases the band gap from 3.33 to 3.45 eV. Investigations were also conducted to estimate and determine the influence of boric acid on the electrical properties of the ZnO layers. As a result, no doping effect effect by boron was demonstrated. However, the role of boric acid on the material quality has also been proven and discussed. Boric acid strongly contributes to the growth of high quality electrodeposited zinc oxide. The high doping level of the film can be attributed to the perchlorate ions introduced in the bath. Finally, a ZnO layer electrodeposited in a boron rich electrolyte was tested as front contact of a Cu(In, Ga)(S, Se)2 based solar cell. An efficiency of 12.5% was measured with a quite high fill factor (>70%) which confirms the high conductivity of the ZnO thin film.

Competing charge density wave and antiferromagnetism of metallic atom wires in GaN(10 1 ¯ ) and ZnO(10 1 ¯ )

NASA Astrophysics Data System (ADS)

Kang, Yoon-Gu; Kim, Sun-Woo; Cho, Jun-Hyung

2017-12-01

Low-dimensional electron systems often show a delicate interplay between electron-phonon and electron-electron interactions, giving rise to interesting quantum phases such as the charge density wave (CDW) and magnetism. Using the density-functional theory (DFT) calculations with the semilocal and hybrid exchange-correlation functionals as well as the exact-exchange plus correlation in the random-phase approximation (EX + cRPA), we systematically investigate the ground state of the metallic atom wires containing dangling-bond (DB) electrons, fabricated by partially hydrogenating the GaN(10 1 ¯0 ) and ZnO(10 1 ¯0 ) surfaces. We find that the CDW or antiferromagnetic (AFM) order has an electronic energy gain due to a band-gap opening, thereby being more stabilized compared to the metallic state. Our semilocal DFT calculation predicts that both DB wires in GaN(10 1 ¯0 ) and ZnO(10 1 ¯0 ) have the same CDW ground state, whereas the hybrid DFT and EX + cRPA calculations predict the AFM ground state for the former DB wire and the CDW ground state for the latter one. It is revealed that more localized Ga DB electrons in GaN(10 1 ¯0 ) prefer the AFM order, while less localized Zn DB electrons in ZnO(10 1 ¯0 ) the CDW formation. Our findings demonstrate that the drastically different ground states are competing in the DB wires created on the two representative compound semiconductor surfaces.

Real structure of (Sb1/3Zn2/3)GaO3(ZnO)3, a member of the homologous series ARO3(ZnO)m with ordered site occupation

NASA Astrophysics Data System (ADS)

Garling, Jennifer; Assenmacher, Wilfried; Schmid, Herbert; Longo, Paolo; Mader, Werner

2018-02-01

The hitherto unknown compound (Sb1/3Zn2/3)GaO3(ZnO)3, a member of the homologous series with general formula ARO3(ZnO)m (A,R = trivalent metal cation), was prepared by solid state methods from the binary oxides in sealed Pt-tubes. The structure of (Sb1/3Zn2/3)GaO3(ZnO)3 has been determined by X-ray diffraction from flux-grown single crystals (R 3 ̅ m , Z = 3, aR = 3.2387(7) Å, cR = 41.78(1) Å. The analysis revealed that (Sb1/3Zn2/3)GaO3(ZnO)m is isostructural with InGaO3(ZnO)m, where In3+ on octahedral sites is replaced by Sb5+ and Zn2+ in a ratio of 1:2, preserving an average charge of 3+. (Sb1/3Zn2/3)GaO3(ZnO)3 was furthermore analyzed by electron diffraction, High Angle Annular Dark Field (HAADF) scanning TEM, and high precision EELS spectroscopic imaging, where a periodic ordering of SbO6 octahedra connected via edge sharing to six ZnO6 octahedra in the octahedral layers in a honeycomb motif is found. Due to the large lateral distance of ca. 1.4 nm between adjacent octahedral layers, electrostatic interaction might hardly dictate Sb and Zn positions in neighbouring layers, and hence is a characteristic of the real structure of (Sb1/3Zn2/3)GaO3(ZnO)3. A structure model of the compound in space group P3112 (Nr. 151) with strictly ordered and discrete Sb and Zn positions is derived by crystallographic transformations as closest approximant for the real structure of (Sb1/3Zn2/3)GaO3(ZnO)3. UV-vis measurements confirm this compound to be a transparent oxide with an optical band gap in the UV region with Eg = 3.15 eV.

DFT/TD-DFT study on the electronic and spectroscopic properties of hollow cubic and hollow spherical (ZnO) m quantum dots interacting with CO, NO2 and SO3 molecules

NASA Astrophysics Data System (ADS)

Gopalakrishnan, Sankarasubramanian; Shankar, Ramasamy; Kolandaivel, Ponmalai

2018-03-01

Hollow spherical (HS) and hollow cubic (HC) (ZnO) m quantum dots (QDs) were constructed and optimized using density functional theory (DFT) method. CO, NO2 and SO3 molecules were used to interact with the HC and HS (ZnO) m QDs at the centre and on the surface of the QDs. The changes in the electronic energy levels of HC and HS (ZnO) m QDs due to the interactions of CO, NO2 and SO3 molecules have been studied. The electronic and spectroscopic properties, such as density of states, HOMO-LUMO energy gap, absorption spectra, IR and Raman spectra of HC and HS (ZnO) m QDs have been studied using DFT and Time dependent-DFT (TD-DFT) methods. The interaction energy values show that the SO3 molecule has strongly interacted with HC and HS (ZnO) m QDs than the CO and NO2 molecules. The results of the density of states show that the HC QDs have peaks that are very close to each other, whereas the same is found to be broad in the HS QDs. The HOMO-LUMO energy gap is more for the HS QDs than the HC QDs, and also it gets decreased, when the NO2 and SO3 molecules interact at the centre of the HC and HS (ZnO) m QDs. The blue and red shifts were observed in the absorption spectra of HS and HC QDs. The natural transition orbital (NTO) plot reveals that the interaction of the molecules on the surface of the QDs reduce the chance of electron-hole recombination; hence the energy gap increases for NO2 and SO3 molecular interactions on the surface of the HC and HS (ZnO) m QDs. The vibrational assignments have been made for HC and HS QDs interacting with CO, NO2 and SO3 molecules.

Pure ultraviolet emission from ZnO quantum dots-based/GaN heterojunction diodes by MgO interlayer

NASA Astrophysics Data System (ADS)

Chen, Cheng; Liang, Renli; Chen, Jingwen; Zhang, Jun; Wang, Shuai; Zhao, Chong; Zhang, Wei; Dai, Jiangnan; Chen, Changqing

2017-07-01

We demonstrate the fabrication and characterization of ZnO/GaN-based heterojunction light-emitting diodes (LEDs) by using air-stable and solution-processable ZnO quantum dots (QDs) with a thin MgO interlayer acting as an electron blocking layer (EBL). The ZnO QDs/MgO/ p-GaN heterojunction can only display electroluminescence (EL) characteristic in reverse bias regime. Under sufficient reverse bias, a fairly pure ultraviolet EL emission located at 370 nm deriving from near band edge of ZnO with a full width at half maximum (FWHM) of 8.3 nm had been obtained, while the deep-level emission had been almost totally suppressed. The EL origination and corresponding carrier transport mechanisms were investigated qualitatively in terms of photoluminescence (PL) results and energy band diagram.[Figure not available: see fulltext.

Doping effect on SILAR synthesized crystalline nanostructured Cu-doped ZnO thin films grown on indium tin oxide (ITO) coated glass substrates and its characterization

NASA Astrophysics Data System (ADS)

Dhaygude, H. D.; Shinde, S. K.; Velhal, Ninad B.; Takale, M. V.; Fulari, V. J.

2016-08-01

In the present study, a novel chemical route is used to synthesize the undoped and Cu-doped ZnO thin films in aqueous solution by successive ionic layer adsorption and reaction (SILAR) method. The synthesized thin films are characterized by x-ray diffractometer (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive x-ray analysis (EDAX), contact angle goniometer and UV-Vis spectroscopic techniques. XRD study shows that the prepared films are polycrystalline in nature with hexagonal crystal structure. The change in morphology for different doping is observed in the studies of FE-SEM. EDAX spectrum shows that the thin films consist of zinc, copper and oxygen elements. Contact angle goniometer is used to measure the contact angle between a liquid and a solid interface and after detection, the nature of the films is initiated from hydrophobic to hydrophilic. The optical band gap energy for direct allowed transition ranging between 1.60-2.91 eV is observed.

Interfacial effects in ZnO nanotubes/needle-structured graphitic diamond nanohybrid for detecting dissolved acetone at room temperature

NASA Astrophysics Data System (ADS)

Kathiravan, Deepa; Huang, Bohr-Ran; Saravanan, Adhimoorthy; Yeh, Chien-Jui; Leou, Keh-Chyang; Lin, I.-Nan

2017-12-01

A high-performance ZnO nanotubes (ZNTs)/needle-structured graphitic diamond (NGD) nanohybrid material was prepared and observed the electrochemical sensing properties of liquid acetone in water. Initially, we synthesized NGD film using bias-enhanced growth (BEG) process. Afterwards, a well-etched ZNTs were spatially grown on the NGD film using simple hydrothermal method, and utilized as sensing material for assemble an electrochemical sensor (via EGFET configuration) operating at room temperature. The systematic investigations depict the ultra-high sensing properties attained from ZNTs grown on NGD film. The NGD film mostly have needle or wire shaped diamond grains, which contributes extremely high electrical conductivity. Furthermore, needle shaped diamond grains cover with multi-layer graphitic material generates conduction channels for ZNTs and leads to enhance the oxygen residuals and species. The material stability and conductivity of NGD as well the defects exist with oxygen vacancies in ZNTs offers superior sensing properties. Thus, the interesting combination of these wide band gap semiconductor materials exhibit high sensor response (89 mV/mL), high stability and long-term reliability (tested after 60 days).

Black Phosphorus-Zinc Oxide Nanomaterial Heterojunction for p-n Diode and Junction Field-Effect Transistor.

PubMed

Jeon, Pyo Jin; Lee, Young Tack; Lim, June Yeong; Kim, Jin Sung; Hwang, Do Kyung; Im, Seongil

2016-02-10

Black phosphorus (BP) nanosheet is two-dimensional (2D) semiconductor with distinct band gap and attracting recent attention from researches because it has some similarity to gapless 2D semiconductor graphene in the following two aspects: single element (P) for its composition and quite high mobilities depending on its fabrication conditions. Apart from several electronic applications reported with BP nanosheet, here we report for the first time BP nanosheet-ZnO nanowire 2D-1D heterojunction applications for p-n diodes and BP-gated junction field effect transistors (JFETs) with n-ZnO channel on glass. For these nanodevices, we take advantages of the mechanical flexibility of p-type conducting of BP and van der Waals junction interface between BP and ZnO. As a result, our BP-ZnO nanodimension p-n diode displays a high ON/OFF ratio of ∼10(4) in static rectification and shows kilohertz dynamic rectification as well while ZnO nanowire channel JFET operations are nicely demonstrated by BP gate switching in both electrostatics and kilohertz dynamics.

N doped ZnO and ZnO nanorods based p-n homojunction fabricated by ion implantation

NASA Astrophysics Data System (ADS)

Chakraborty, Mohua; Thangavel, R.; Asokan, K.

2018-05-01

Nitrogen (N) doped and undoped Zinc Oxide (ZnO) nanorod p-n homojunctions were fabricated by ion implantation method. The structural and optical characterizations showed that the N atoms doped into the ZnO crystal lattice. The UV-Vis absorption spectra revealed shift in optical absorption edge towards higher wavelength with ion implantation on ZnO, which attributed N acceptor levels above the valence band. The current-voltage (I-V) measurements exhibit a typical semiconductor rectification characteristic indicating the electrical conductivity of the N-doped ZnO nanorod have p-type conductivity. Moreover, a high photocurrent response has been observed with these p-n homojunctions.

Colloidal synthesis of Cu-ZnO and Cu@CuNi-ZnO hybrid nanocrystals with controlled morphologies and multifunctional properties

NASA Astrophysics Data System (ADS)

Zeng, Deqian; Gong, Pingyun; Chen, Yuanzhi; Zhang, Qinfu; Xie, Qingshui; Peng, Dong-Liang

2016-06-01

Metal-semiconductor hybrid nanocrystals have received extensive attention owing to their multiple functionalities which can find wide technological applications. The utilization of low-cost non-noble metals to construct novel metal-semiconductor hybrid nanocrystals is important and meaningful for their large-scale applications. In this study, a facile solution approach is developed for the synthesis of Cu-ZnO hybrid nanocrystals with well-controlled morphologies, including nanomultipods, core-shell nanoparticles, nanopyramids and core-shell nanowires. In the synthetic strategy, Cu nanocrystals formed in situ serve as seeds for the heterogeneous nucleation and growth of ZnO, and it eventually forms various Cu-ZnO hetero-nanostructures under different reaction conditions. These hybrid nanocrystals possess well-defined and stable heterostructure junctions. The ultraviolet-visible-near infrared spectra reveal morphology-dependent surface plasmon resonance absorption of Cu and the band gap absorption of ZnO. Furthermore, we construct a novel Cu@CuNi-ZnO ternary hetero-nanostructure by incorporating the magnetic metal Ni into the pre-synthesized colloidal Cu nanocrystals. Such hybrid nanocrystals possess a magnetic Cu-Ni intermediate layer between the ZnO shell and the Cu core, and exhibit ferromagnetic/superparamagnetic properties which expand their functionalities. Finally, enhanced photocatalytic activities are observed in the as-prepared non-noble metal-ZnO hybrid nanocrystals. This study not only provides an economical way to prepare high-quality morphology-controlled Cu-ZnO hybrid nanocrystals for potential applications in the fields of photocatalysis and photovoltaic devices, but also opens up new opportunities in designing ternary non-noble metal-semiconductor hybrid nanocrystals with multifunctionalities.Metal-semiconductor hybrid nanocrystals have received extensive attention owing to their multiple functionalities which can find wide technological applications. The utilization of low-cost non-noble metals to construct novel metal-semiconductor hybrid nanocrystals is important and meaningful for their large-scale applications. In this study, a facile solution approach is developed for the synthesis of Cu-ZnO hybrid nanocrystals with well-controlled morphologies, including nanomultipods, core-shell nanoparticles, nanopyramids and core-shell nanowires. In the synthetic strategy, Cu nanocrystals formed in situ serve as seeds for the heterogeneous nucleation and growth of ZnO, and it eventually forms various Cu-ZnO hetero-nanostructures under different reaction conditions. These hybrid nanocrystals possess well-defined and stable heterostructure junctions. The ultraviolet-visible-near infrared spectra reveal morphology-dependent surface plasmon resonance absorption of Cu and the band gap absorption of ZnO. Furthermore, we construct a novel Cu@CuNi-ZnO ternary hetero-nanostructure by incorporating the magnetic metal Ni into the pre-synthesized colloidal Cu nanocrystals. Such hybrid nanocrystals possess a magnetic Cu-Ni intermediate layer between the ZnO shell and the Cu core, and exhibit ferromagnetic/superparamagnetic properties which expand their functionalities. Finally, enhanced photocatalytic activities are observed in the as-prepared non-noble metal-ZnO hybrid nanocrystals. This study not only provides an economical way to prepare high-quality morphology-controlled Cu-ZnO hybrid nanocrystals for potential applications in the fields of photocatalysis and photovoltaic devices, but also opens up new opportunities in designing ternary non-noble metal-semiconductor hybrid nanocrystals with multifunctionalities. Electronic supplementary information (ESI) available: Synthesis and TEM images of pure ZnO nanocrystals. Photocatalytic testing procedures and degradation curves. SEM and TEM images, SAED pattern and EDS spectra and maps of parts of Cu-ZnO hybrid samples. A schematic image of coincident lattice matching between Cu and ZnO. STEM-EDS elemental maps and XRD pattern of the Cu@CuNi-ZnO sample. Comparative synthetic parameters. See DOI: 10.1039/c6nr02055k

Interfacial engineering of electron transport layer using Caesium Iodide for efficient and stable organic solar cells

NASA Astrophysics Data System (ADS)

Upama, Mushfika Baishakhi; Elumalai, Naveen Kumar; Mahmud, Md Arafat; Wright, Matthew; Wang, Dian; Xu, Cheng; Haque, Faiazul; Chan, Kah Howe; Uddin, Ashraf

2017-09-01

Polymer solar cells (PSCs) have gained immense research interest in the recent years predominantly due to low-cost, solution process-ability, and facile device fabrication. However, achieving high stability without compromising the power conversion efficiency (PCE) serves to be an important trade-off for commercialization. In line with this, we demonstrate the significance of incorporating a CsI/ZnO bilayer as electron transport layer (ETL) in the bulk heterojunction PSCs employing low band gap polymer (PTB7) and fullerene (PC71BM) as the photo-active layer. The devices with CsI/ZnO interlayer exhibited substantial enhancement of 800% and 12% in PCE when compared to the devices with pristine CsI and pristine ZnO as ETL, respectively. Furthermore, the UV and UV-ozone induced degradation studies revealed that the devices incorporating CsI/ZnO bilayer possess excellent decomposition stability (∼23% higher) over the devices with pristine ZnO counterparts. The incorporation of CsI between ITO and ZnO was found to favorably modify the energy-level alignment at the interface, contributing to the charge collection efficiency as well as protecting the adjacent light absorbing polymer layers from degradation. The mechanism behind the improvement in PCE and stability is analyzed using the electrochemical impedance spectroscopy and dark I-V characteristics.

Highly Repeatable and Recoverable Phototransistors Based on Multifunctional Channels of Photoactive CdS, Fast Charge Transporting ZnO, and Chemically Durable Al2O3 Layers.

PubMed

Ahn, Cheol Hyoun; Kang, Won Jun; Kim, Ye Kyun; Yun, Myeong Gu; Cho, Hyung Koun

2016-06-22

Highly repeatable and recoverable phototransistors were explored using a "multifunctional channels" structure with multistacked chalcogenide and oxide semiconductors. These devices were made of (i) photoactive CdS (with a visible band gap), (ii) fast charge transporting ZnO (with a high field-effect mobility), and (iii) a protection layer of Al2O3 (with high chemical durability). The CdS TFT without the Al2O3 protection layer did not show a transfer curve due to the chemical damage that occurred on the ZnO layer during the chemical bath deposition (CBD) process used for CdS deposition. Alternatively, compared to CdS phototransistors with long recovery time and high hysteresis (ΔVth = 19.5 V), our "multi-functional channels" phototransistors showed an extremely low hysteresis loop (ΔVth = 0.5V) and superior photosensitivity with repeatable high photoresponsivity (52.9 A/W at 400 nm). These improvements are likely caused by the physical isolation of the sensing region and charge transport region by the insertion of the ultrathin Al2O3 layer. This approach successfully addresses some of the existing problems in CdS phototransistors, such as the high gate-interface trap site density and high absorption of molecular oxygen, which originate from the polycrystalline CdS.

Sol concentration effect on ZnO nanofibers photocatalytic activity synthesized by sol-gel dip coating method

NASA Astrophysics Data System (ADS)

Toubane, M.; Tala-Ighil, R.; Bensouici, F.; Bououdina, M.; Souier, M.; Liu, S.; Cai, W.; Iratni, A.

2017-03-01

ZnO thin films were deposited onto glass substrate by sol-gel dip coating method. The initial sol concentrations were varied from 0.2 to 0.5 M. Zinc acetate dihydrate, ethanol and Diethanolamine (DEA) were used as staring material, solvent and stabilizer respectively. The evolution of structural, optical properties and methylene blue (MB) photodegradation of the as-deposited films on sol concentration was investigated. Rietveld refinements of x-ray patterns reveal that all the as-prepared thin films have a Zincite-type structure with grain orientation along to c-axis. The strongest sol concentration is favorable for the highest crystallization quality. However, the high preferred orientation factor (POF) occurs for 0.3 M sol concentration. The field emission scanning electron microscopy observations reveals nanofibrous morphology with different lengths. The nanofibers density increases with increasing sols concentrations until forming a flower-like morphology. The EDS analysis confirms the high purity of the as-deposited ZnO films. It is found that all films present good transparency greater than 95% in the visible range; the optical band gap is slightly reduced with the increase in sol concentration. The photocatalytic degradation is enhanced by 90% with the sol concentration. The K app rate reaction increased with increasing sol concentration. The films stability is found to slightly decrease after the third cycle, especially for 0.5 M sol concentration.

Synergistic effect of Indium and Gallium co-doping on growth behavior and physical properties of hydrothermally grown ZnO nanorods

PubMed Central

Lim, Jun Hyung; Lee, Seung Muk; Kim, Hyun-Suk; Kim, Hyun You; Park, Jozeph; Jung, Seung-Boo; Park, Geun Chul; Kim, Jungho; Joo, Jinho

2017-01-01

We synthesized ZnO nanorods (NRs) using simple hydrothermal method, with the simultaneous incorporation of gallium (Ga) and indium (In), in addition, investigated the co-doping effect on the morphology, microstructure, electronic structure, and electrical/optical properties. The growth behavior of the doped NRs was affected by the nuclei density and polarity of the (001) plane. The c-axis parameter of the co-doped NRs was similar to that of undoped NRs due to the compensated lattice distortion caused by the presence of dopants that are both larger (In3+) and smaller (Ga3+) than the host Zn2+ cations. Red shifts in the ultraviolet emission peaks were observed in all doped NRs, owing to the combined effects of NR size, band gap renormalization, and the presence of stacking faults created by the dopant-induced lattice distortions. In addition, the NR/p-GaN diodes using co-doped NRs exhibited superior electrical conductivity compared to the other specimens due to the increase in the charge carrier density of NRs and the relatively large effective contact area of (001) planes. The simultaneous doping of In and Ga is therefore anticipated to provide a broader range of optical, physical, and electrical properties of ZnO NRs for a variety of opto-electronic applications. PMID:28155879

Spectral features and antibacterial properties of Cu-doped ZnO nanoparticles prepared by sol-gel method

NASA Astrophysics Data System (ADS)

Alireza, Samavati; A, F. Ismail; Hadi, Nur; Z, Othaman; M, K. Mustafa

2016-07-01

Zn1-x Cu x O (x = 0.00, 0.01, 0.03, and 0.05) nanoparticles are synthesized via the sol-gel technique using gelatin and nitrate precursors. The impact of copper concentration on the structural, optical, and antibacterial properties of these nanoparticles is demonstrated. Powder x-ray diffraction investigations have illustrated the organized Cu doping into ZnO nanoparticles up to Cu concentration of 5% (x = 0.05). However, the peak corresponding to CuO for x = 0.01 is not distinguishable. The images of field emission scanning electron microscopy demonstrate the existence of a nearly spherical shape with a size in the range of 30-52 nm. Doping Cu creates the Cu-O-Zn on the surface and results in a decrease in the crystallite size. Photoluminescence and absorption spectra display that doping Cu causes an increment in the energy band gap. The antibacterial activities of the nanoparticles are examined against Escherichia coli (Gram negative bacteria) cultures using optical density at 600 nm and a comparison of the size of inhibition zone diameter. It is found that both pure and doped ZnO nanoparticles indicate appropriate antibacterial activity which rises with Cu doping. Project supported by the Universiti Teknologi Malaysia (UTM) (Grant No. R. J1300000.7809.4F626). Dr. Samavati is thankful to RMC for postdoctoral grants.

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection

NASA Astrophysics Data System (ADS)

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO2@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC3H7)4] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO2 shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO2 coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors.

Soluble Supercapacitors: Large and Reversible Charge Storage in Colloidal Iron-Doped ZnO Nanocrystals.

PubMed

Brozek, Carl K; Zhou, Dongming; Liu, Hongbin; Li, Xiaosong; Kittilstved, Kevin R; Gamelin, Daniel R

2018-05-09

Colloidal ZnO semiconductor nanocrystals have previously been shown to accumulate multiple delocalized conduction-band electrons under chemical, electrochemical, or photochemical reducing conditions, leading to emergent semimetallic characteristics such as quantum plasmon resonances and raising prospects for application in multielectron redox transformations. Here, we demonstrate a dramatic enhancement in the capacitance of colloidal ZnO nanocrystals through aliovalent Fe 3+ -doping. Very high areal and volumetric capacitances (33 μF cm -2 , 233 F cm -3 ) are achieved in Zn 0.99 Fe 0.01 O nanocrystals that rival those of the best supercapacitors used in commercial energy-storage devices. The redox properties of these nanocrystals are probed by potentiometric titration and optical spectroscopy. These data indicate an equilibrium between electron localization by Fe 3+ dopants and electron delocalization within the ZnO conduction band, allowing facile reversible charge storage and removal. As "soluble supercapacitors", colloidal iron-doped ZnO nanocrystals constitute a promising class of solution-processable electronic materials with large charge-storage capacity attractive for future energy-storage applications.

A comparison of ZnO films deposited on indium tin oxide and soda lime glass under identical conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deka, Angshuman; Nanda, Karuna Kar

2013-06-15

ZnO films have been grown via a vapour phase transport (VPT) on soda lime glass (SLG) and indium-tin oxide (ITO) coated glass. ZnO film on ITO had traces of Zn and C which gives them a dark appearance while that appears yellowish-white on SLG. X-ray photoelectron spectroscopy studies confirm the traces of C in the form of C-O. The photoluminescence studies reveal a prominent green luminescence band for ZnO film on ITO.

Ultraviolet electroluminescence from zinc oxide nanorods/deoxyribonucleic acid hybrid bio light-emitting diode

NASA Astrophysics Data System (ADS)

Gupta, Rohini Bhardwaj; Nagpal, Swati; Arora, Swati; Bhatnagar, Pramod Kumar; Mathur, Parmatma Chandra

2011-01-01

Ultraviolet (UV) light-emitting diode using salmon deoxyribonucleic acid (sDNA)-cetyltrimethylammonium complex as an electron blocking layer and zinc oxide (ZnO) nanorods as emissive material was fabricated. UV emission, which was blue shifted up to 335 nm with respect to the band edge emission of 390 nm, was observed. This blue shift was caused due to accumulation of electrons in the conduction band of ZnO because of a high potential barrier existing at the sDNA/ZnO interface.

ZnO-based semiconductors with tunable band gap for solar sell applications

NASA Astrophysics Data System (ADS)

Itagaki, N.; Matsushima, K.; Yamashita, D.; Seo, H.; Koga, K.; Shiratani, M.

2014-03-01

In this study, we discuss the potential advantages of a new ZnO-based semiconductor, ZnInON (ZION), for application in multi quantum-well (MQW) photovoltaics. ZION is a pseudo-binary alloy of ZnO and InN, which has direct and tunable band gaps over the entire visible spectrum. It was found from simulation results that owing to the large piezoelectric constant, the spatial overlap of the electron and hole wave functions in the QWs is significantly small on the order of 10-2, where the strong piezoelectric field enhances the separation of photo generated carriers. As a result, ZION QWs have low carrier recombination rate of 1014-1018 cm-3s-1, which is much lower than that in conventional QWs such as InGaAs/GaAs QW (1019 cm-3s-1) and InGaN/GaN QW (1018-1018 cm-3s-1). The long carrier life time in ZION QWs (˜1μs) should enable the extraction of photo-generated carriers from well layers before the recombination, and thus increase Voc and Jsc. These simulation results are consistent with our experimental data showing that both Voc and Jsc of a p-i-n solar cell with strained ZION MQWs and thus the efficiency were increased by the superimposition of laser light with lower photon energy than the band gap energy of the QWs. Since the laser light contributed not to carrier generation but to the carrier extraction from the QWs, and no increase in Voc and Jsc was observed for relaxed ZION MQWs, the improvement in the efficiency was attributed to the long carrier lifetime in the strained ZION QWs.

Band structure engineering for solar energy applications: Zinc oxide(1-x) selenium(x) films and devices

NASA Astrophysics Data System (ADS)

Mayer, Marie Annette

New technologies motivate the development of new semiconducting materials, for which structural, electrical and chemical properties are not well understood. In addition to new materials systems, there are huge opportunities for new applications, especially in solar energy conversion. In this dissertation I explore the role of band structure engineering of semiconducting oxides for solar energy. Due to the abundance and electrochemical stability of oxides, the appropriate modification could make them appealing for applications in both photovoltaics and photoelectrochemical hydrogen production. This dissertation describes the design, synthesis and evaluation of the alloy ZnO1-xSe x for these purposes. I review several methods of band structure engineering including strain, quantum confinement and alloying. A detailed description of the band anticrossing (BAC) model for highly mismatched alloys is provided, including the derivation of the BAC model as well as recent work and potential applications. Thin film ZnOxSe1-x samples are grown by pulsed laser deposition (PLD). I describe in detail the effect of growth conditions (temperature, pressure and laser fluence) on the chemistry, structure and optoelectronic properties of ZnOxSe1-x. The films are grown using different combinations of PLD conditions and characterized with a variety of techniques. Phase pure films with low roughness and high crystallinity were obtained at temperatures below 450¢ªC, pressures less than 10-4 Torr and laser fluences on the order of 1.5 J/cm 2. Electrical conduction was still observed despite heavy concentrations of grain boundaries. The band structure of ZnO1-xSex is then examined in detail. The bulk electron affinity of a ZnO thin film was measured to be 4.5 eV by pinning the Fermi level with native defects. This is explained in the framework of the amphoteric defect model. A shift in the ZnO1-xSe x valence band edge with x is observed using synchrotron x-ray absorption and emission spectroscopy. Measurement of the optical absorption coefficient, α, shows a significant red shift as well as an increase in the low energy density of states with x. Fitting α revealed that the initial Se defect level is located 0.9 eV above the valence band edge and the coupling strength of the interaction is 1.2 eV. Optical reflection data are good agreement with the absorption onset at 2 eV. Taking the derivative of this data reveals experimental observation of the matrix-like band at higher energies. ZnO1-xSex is explicitly evaluated for photoelectrochemical applications. An introduction to semiconductor electrochemistry is followed by flat band, photocurrent, and spectrally resolved photocurrent measurements. The flat band measurements are in excellent agreement with the measurements of the ZnO electron affinity using bulk methods, but show that the conduction band edge of ZnO1-xSex is too low for spontaneous water splitting. Measurements of the incident photon to current conversion efficiency (IPCE) indicated that photons with energies greater than 2 eV excite carriers that do conduct and induce chemical reactions. Tandem ZnO1-xSe x/Si devices are made with a natural Ohmic contact between the p-Si and n-ZnO1-xSex. Electrochemical testing proves that the presence of the tandem photovoltaic provides an overpotential of ˜0.5 V to electrons enabling the reduction of H+ in solution. Finally, the carrier scattering and recombination lifetimes in ZnO 1-xSex are considered. Resistivity, Hall effect and Seebeck coefficient measurements are used to probe the scattering lifetime, while the recombination lifetime is investigated using photoluminescence spectroscopy. Electrochemical photocurrent measurements in light and dark are a function of the product of both lifetimes. Results indicate that significant scattering in the lateral direction does not prohibit the photoelectrochemical device from operating, but defects from high fluence growth are extremely detrimental to the recombination lifetime. A textured or otherwise irregular crystal that does not function well for a device designed for transport in one direction might be perfectly operational when the current flow is perpendicular. The final chapter provides perspective on the future of ZnO1-xSe x in scientific research and obstacles to overcome before industrial applications are possible. Perspective on sustainable hydrogen production is given. The optimist can see a value for nearly all renewable energy technologies in a variety of value-driven applications.

ZnO/Sn:In2O3 and ZnO/CdTe band offsets for extremely thin absorber photovoltaics

NASA Astrophysics Data System (ADS)

Kaspar, T. C.; Droubay, T.; Jaffe, J. E.

2011-12-01

Band alignments were measured by x-ray photoelectron spectroscopy for thin films of ZnO on polycrystalline Sn:In2O3 (ITO) and single crystal CdTe. Hybrid density functional theory calculations of epitaxial zinc blende ZnO(001) on CdTe(001) were performed to compare with experiment. A conduction band (CB) offset of -0.6 eV was measured for ZnO/ITO, which is larger than desired for efficient electron injection. For ZnO/CdTe, the experimental conduction band offset of 0.25 eV is smaller than the calculated value of 0.67 eV, possibly due to the TeOx layer at the ZnO/CdTe interface. The measured conduction band offset for ZnO/CdTe is favorable for photovoltaic devices.

Acceptors in bulk and nanoscale ZnO

NASA Astrophysics Data System (ADS)

McCluskey, M. D.

2012-02-01

Zinc oxide (ZnO) is a semiconductor that emits bright UV light, with little wasted heat. This intrinsic feature makes it a promising material for energy-efficient white lighting, nano-lasers, and other optical applications. For devices to be competitive, however, it is necessary to develop reliable p-type doping. Although substitutional nitrogen has been considered as a potential p-type dopant for ZnO, theoretical and experimental work indicates that nitrogen is a deep acceptor and will not lead to p-type conductivity. This talk will highlight recent experiments on ZnO:N at low temperatures. A red/near-IR photoluminescence (PL) band is correlated with the presence of deep nitrogen acceptors. PL excitation (PLE) measurements show an absorption threshold of 2.26 eV, in good agreement with theory. Magnetic resonance experiments provide further evidence for this assignment. The results of these studies seem to rule out group-V elements as shallow acceptors in ZnO, contradicting numerous reports in the literature. If these acceptors do not work as advertised, is there a viable alternative? Optical studies on ZnO nanocrystals show some intriguing leads. At liquid-helium temperatures, a series of sharp IR absorption peaks arise from an unknown acceptor impurity. The data are consistent with a hydrogenic acceptor 0.46 eV above the valence band edge. While this binding energy is still too deep for many practical applications, it represents a significant improvement over the ˜ 1.3 eV binding energy for nitrogen acceptors. Nanocrystals present another twist. Due to their high surface-to-volume ratio, surface states are especially important. Specifically, electron-hole recombination at the surface give rises to a red luminescence band. From our PL and IR experiments, we have developed a ``unified'' model that attempts to explain acceptor and surface states in ZnO nanocrystals. This model could provide a useful framework for designing future nanoscale ZnO devices.

Understanding the role of iron in the magnetism of Fe doped ZnO nanoparticles.

PubMed

Beltrán, J J; Barrero, C A; Punnoose, A

2015-06-21

The actual role of transition metals like iron in the room temperature ferromagnetism (RTFM) of Fe doped ZnO nanoparticles is still an unsolved problem. While some studies concluded that the Fe ions participate in the magnetic interaction, others in contrast do not believe Fe to play a direct role in the magnetic exchange interaction. To contribute to the understanding of this issue, we have carefully investigated the structural, optical, vibrational and magnetic properties of sol-gel synthesized Zn1-xFexO (0 < x < 0.10) nanoparticles. No Fe(2+) was detected in any sample. We found that high spin Fe(3+) ions are substitutionally incorporated at the Zn(2+) in the tetrahedral-core sites and in pseudo-octahedral surface sites in ZnO. Superficial OH(-) was observed in all samples. For x ≤ 0.03, an increment in Fe doping concentration decreased a and c lattice parameters, average Zn-O bond length, average crystallite size and band gap; while it increased the degree of distortion and quadrupole splitting. Undoped ZnO nanoparticles exhibited very weak RTFM with a saturation magnetization (Ms) of ∼0.47 memu g(-1) and this value increased to ∼2.1 memu g(-1) for Zn0.99Fe0.01O. Very interestingly, the Ms for Zn0.99Fe0.01O and Zn0.97Fe0.03O increased by a factor of about ∼2.3 by increasing annealing for 1 h to 3 h. For x ≥ 0.05, ferrimagnetic disordered spinel ZnFe2O4 was formed and this phase was found to become more ordered with increasing annealing time. Fe does not contribute directly to the RTFM, but its presence promoted the formation of additional single charged oxygen vacancies, zinc vacancies, and more oxygen-ended polar terminations at the nanoparticle surface. These defects, which are mainly superficial, altered the electronic structure and are considered as the main sources of the observed ferromagnetism.

Monolithically self-assembled organic active materials integrated with thermoelectric for large spectrum solar harvesting system (Presentation Recording)

NASA Astrophysics Data System (ADS)

Busani, Tito L.; Lavrova, Olga; Erdman, Matthew; Martinez, Julio; Dawson, Noel M.

2015-10-01

We designed and studied a radial junction composed by a photovoltaic and thermoelectric array based on ZnO and CdTe nanowires surrounded by an absorbing organic self assembled in order to efficiently convert UV-visible and IR energy into electricity. The hot anode of n-type ZnO nanowires was fabricated using a thermal process on pre-seeded layer and results to be crystalline with a transmittance up to 92 % and a bandgap of ~ 3.32 eV. Conductivity measurements reveal diode-like behavior for the ZnO nanowires. The organic layer was deposited between the anode and cathode at room temperature The organic layer is composed of oppositely charged porphyrin metal (Zn(II) and Sn(IV)(OH)2) derivatives that are separately water soluble, but when combined form a virtually insoluble solid. The electron donor/acceptor properties (energy levels, band gaps) of the solid can be controlled by the choice of metals and the nature of the peripheral substituent groups of the porphyrin ring. A defect free sub nanometer deposition was achieved using a layer-by-layer deposition onto both ZnO and Bi2Te3 nanowires. The highly thermoelectric structure, which acts as a cold cathode, is composed of p-type Bi2Te3 nanowires with a thermoelectric efficiency (ZT) between ~0.7 to 1, values that are twice that expected for bulk Bi2Te3. Optoelectronic and structural properties shows that with 6 nm of organic layer it is possible to form a 3% efficient solar device with an enhanced thermo electric effected with a temperature gradient of 300 C.

Ultrathin ZnS and ZnO Interfacial Passivation Layers for Atomic-Layer-Deposited HfO2 Films on InP Substrates.

PubMed

Kim, Seung Hyun; Joo, So Yeong; Jin, Hyun Soo; Kim, Woo-Byoung; Park, Tae Joo

2016-08-17

Ultrathin ZnS and ZnO films grown by atomic layer deposition (ALD) were employed as interfacial passivation layers (IPLs) for HfO2 films on InP substrates. The interfacial layer growth during the ALD of the HfO2 film was effectively suppressed by the IPLs, resulting in the decrease of electrical thickness, hysteresis, and interface state density. Compared with the ZnO IPL, the ZnS IPL was more effective in reducing the interface state density near the valence band edge. The leakage current density through the film was considerably lowered by the IPLs because the film crystallization was suppressed. Especially for the film with the ZnS IPL, the leakage current density in the low-voltage region was significantly lower than that observed for the film with the ZnO IPL, because the direct tunneling current was suppressed by the higher conduction band offset of ZnS with the InP substrate.

Observation of the origin of d0 magnetism in ZnO nanostructures using X-ray-based microscopic and spectroscopic techniques

NASA Astrophysics Data System (ADS)

Singh, Shashi B.; Wang, Yu-Fu; Shao, Yu-Cheng; Lai, Hsuan-Yu; Hsieh, Shang-Hsien; Limaye, Mukta V.; Chuang, Chen-Hao; Hsueh, Hung-Chung; Wang, Hsaiotsu; Chiou, Jau-Wern; Tsai, Hung-Ming; Pao, Chih-Wen; Chen, Chia-Hao; Lin, Hong-Ji; Lee, Jyh-Fu; Wu, Chun-Te; Wu, Jih-Jen; Pong, Way-Faung; Ohigashi, Takuji; Kosugi, Nobuhiro; Wang, Jian; Zhou, Jigang; Regier, Tom; Sham, Tsun-Kong

2014-07-01

Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO.Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO. Electronic supplementary information (ESI) available: Scanning photoelectron microscopy (SPEM) results of ZnO NCs and NWs. Computational details and calculated total and partial density of states (PDOS) of bulk wurtzite ZnO with oxygen anion vacancies (VO). See DOI: 10.1039/c4nr01961j

Vanadium substitution: A simple and economic way to improve UV sensing in ZnO

NASA Astrophysics Data System (ADS)

Srivastava, Tulika; Bajpai, Gaurav; Rathore, Gyanendra; Liu, Shun Wei; Biring, Sajal; Sen, Somaditya

2018-04-01

The UV sensing in pure ZnO is due to oxygen adsorption/desorption process from the ZnO surface. Vanadium doping improves the UV sensitivity of ZnO. The enhancement in UV sensitivity in vanadium-substituted ZnO is attributed to trapping and de-trapping of electrons at V4+ and V5+-related defect states. The V4+ state has an extra electron than the V5+ state. A V4+ to V5+ transformation happens with excitation of this electron to the conduction band, while a reverse trapping process liberates a visible light. An analytic study of response phenomenon reveals this trapping and de-trapping process.

Influence of samarium ions (Sm3+) on the optical properties of lithium zinc phosphate glasses

NASA Astrophysics Data System (ADS)

Shwetha, M.; Eraiah, B.

2018-05-01

New glass samples with composition xSm2O3-(15-x) Li2O-45ZnO-40P2O5, where x= 0, 0.1, 0.3 and 0.5 mol % are prepared by conventional melt-quenching method. X-ray Diffraction measurements were performed to confirm their amorphous nature. Densities of these glasses were measured by Archimedes method. Optical properties were studied using optical absorption spectra which was recorded at room temperature in the UV-Vis region. Electronic transitions specific to the rare earth ion were observed from the UV-Visible spectroscopy. Optical direct band gap and indirect band gap energies were measured and their values were found to be between 4.23-4.74 eV and 3.02-3.67 eV, respectively. Refractive index has been measured with respect to different concentrations of Sm2O3. Polaron radius, inter-nuclear distance, field strength, dielectric constant and polarizability of oxide ions have been calculated. Fluorescence spectroscopy measurements have been performed by excitation in the UV-Visible range, which resulted in the significant fluorescence peaks. The luminescence color of the glass system has been characterized using Commission International de l'Eclairage de France 1931 chromaticity diagram.

Optical constants, single-oscillator modal and refractive index dispersion analysis of lithium zinc bismuth borate glasses doped with Eu{sup 3+} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boda, Ramesh; Srinivas, G.; Komaraiah, D.

2016-05-06

The glasses of composition xLi{sub 2}O-15ZnO- 20Bi{sub 2}O{sub 3}- (64 - x) B{sub 2}O{sub 3}- 1EuO (ZLB) (where x=0, 5, 10, 15, 20 mole %) prepared by melt-quenching technique. The amorphous nature of the prepared glasses was confirmed by XRD spectra. The UV-Vis optical absorption spectrum was recorded in the wave length range of 200-1000 nm. It is observed that the optical band gap is inversely changing with Urbach energy. The optical constants such as G (a constant proportional to the second-order deformation potential) and E{sub f} (a constant that depends on local coordination and is called as free energy ofmore » the glass system). The most significant result of the present work is the refractive index dispersion curves of the ZLB glasses obey the single-oscillator model and oscillator parameters (E{sub o}, E{sub d}) changed with the Li{sub 2}O content. the absorption edge, band gap and Urbach energy is changing nonlinearly with increasing content of Li{sub 2}O, which can be used to calculate the optical, physical, and other constants.« less

Defect mediated magnetic interaction and high Tc ferromagnetism in Co doped ZnO nanoparticles.

PubMed

Pal, Bappaditya; Giri, P K

2011-10-01

Structural, optical and magnetic studies have been carried out for the Co-doped ZnO nanoparticles (NPs). ZnO NPs are doped with 3% and 5% Co using ball milling and ferromagnetism (FM) is studied at room temperature and above. A high Curie temperature (Tc) has been observed from the Co doped ZnO NPs. X-ray diffraction and high resolution transmission electron microscopy analysis confirm the absence of metallic Co clusters or any other phase different from würtzite-type ZnO. UV-visible absorption and photoluminescence studies on the doped samples show change in band structure and oxygen vacancy defects, respectively. Micro-Raman studies of doped samples shows defect related additional strong bands at 547 and 574 cm(-1) confirming the presence of oxygen vacancy defects in ZnO lattice. The field dependence of magnetization (M-H curve) measured at room temperature exhibits the clear M-H loop with saturation magnetization and coercive field of the order of 4-6 emu/g and 260 G, respectively. Temperature dependence of magnetization measurement shows sharp ferromagnetic to paramagnetic transition with a high Tc = 791 K for 3% Co doped ZnO NPs. Ferromagnetic ordering is interpreted in terms of overlapping of polarons mediated through oxygen vacancy defects based on the bound magnetic polaron (BMP) model. We show that the observed FM data fits well with the BMP model involving localised carriers and magnetic cations.

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection.

PubMed

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO(2)@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC(3)H(7))(4)] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO(2) shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO(2) coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors. © The Royal Society of Chemistry 2011

Tuning the optical properties of ZnO nanorods by variation of precursor concentration through hydrothermal method

NASA Astrophysics Data System (ADS)

Kumari, Lakshmi; Kar, Asit Kumar

2018-05-01

ZnO nanorods with varying precursor concentration have been successfully synthesized by the hydrothermal method. The effect of the precursor concentration on the structural, morphological and optical properties of the resulting nanorods was investigated by means of X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), UV-Vis spectroscopy and photoluminescence (PL) spectroscopy. The crystalline structural characterization demonstrated that the synthesized materials crystallize in pure ZnO wurtzite structure without any other secondary phase. SEM micrographs demonstrate nanorod type features in all the samples. In addition, they show that increase of precursor concentration changes the length and diameter of nanorods. The UV-Vis studies show a strong absorption band in UV region at 373 nm attributed to the band-edge absorption of wurtzite hexagonal ZnO, blue shifted relative to its bulk form (380 nm). The PL spectra of obtained nanorods excited at 360 nm present broad visible emission. Moreover, as the visible region (from 510 to 550 nm) is concerned, it is speculated that the increase of the precursor concentration affects strongly the kind of interstitial defects (Oi, Zni and Vo) formed in ZnO nanorods. The luminescence intensity decreases with the increase of precursor concentration.

Contactless electroreflectance studies of free exciton binding energy in Zn1-xMgxO epilayers

NASA Astrophysics Data System (ADS)

Wełna, M.; Kudrawiec, R.; Kaminska, A.; Kozanecki, A.; Laumer, B.; Eickhoff, M.; Misiewicz, J.

2013-12-01

Contactless electroreflectance (CER) has been applied to study optical transitions in Zn1-xMgxO layers with magnesium concentration ≤44%. CER resonances related to free exciton and band-to-band transitions were clearly observed at room temperature. For ZnO the two transitions are separated by the energy of ˜65 meV, which is attributed to the free exciton binding energy in ZnO. Due to magnesium incorporation, the CER resonances broaden and shift to blue. The energy separation between excitonic and band-to-band transitions increases up to ˜100 meV when the magnesium concentration reaches 22%. For larger magnesium concentrations, CER resonances are significantly broadened and the excitonic transition is no longer resolved in the CER spectrum.

Influence of rare earth ions on microstructural and optical properties of ZnO nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riyajuddin, Sk., E-mail: riyaj5303@gmail.com; Ahmad, Shabbir; Faizan, M.

2016-05-23

Pure and 3% rare earth ions (Nd{sup 3+} & Gd{sup 3+}) doped ZnO samples were synthesized by sol-gel method, followed by annealing at temperature 450°C for 2hr. The samples were characterized by XRD, FTIR and UV-visible spectroscopy. XRD result confirmed single phase nature of all samples with crystalline structure. The average crystallite size of the doped samples found to be decreases as caculated using Debye-Scherrer’s formula. FTIR spectra indicate absorption band centered at 464 cm{sup −1} which is attributed to Zn-O lattice vibration. It confirms the formaton of compounds. UV-visible spectroscopy was used to study the optical properties and band gapmore » of the synthesised materials using Tauc’s relation.« less

Ab Initio Study of Structural and Electronic Properties of (ZnO) n "Magical" Nanoclusters n = (34, 60)

NASA Astrophysics Data System (ADS)

Bovhyra, Rostyslav; Popovych, Dmytro; Bovgyra, Oleg; Serednytski, Andrew

2017-01-01

Density functional theory studies of the structural and electronic properties of nanoclusters (ZnO) n ( n = 34, 60) in different geometric configurations were conducted. For each cluster, an optimization (relaxation) of structure geometry was performed, and the basic properties of the band structure were investigated. It was established that for the (ZnO)34 nanoclusters, the most stable are fullerene-like hollow structures that satisfy the rule of six isolated quadrangles. For the (ZnO)60 nanoclusters, different types of isomers, including hollow structures and sodalite-like structures composed from (ZnO)12 nanoclusters, were investigated. It was determined that the most energetically favorable structure was sodalite-type structure composed of seven (ZnO)12 clusters with common quadrangle edges.

On the synthesis, structural, optical and magnetic properties of nano-size Zn-MgO

NASA Astrophysics Data System (ADS)

Varshney, Dinesh; Dwivedi, Sonam

2015-09-01

Chemical co-precipitation method is employed to synthesize ZnO, MgO and Zn0.5Mg0.5O nanoparticles. X-ray diffraction (XRD) pattern infers that the sample of ZnO is in single-phase wurtzite structure (hexagonal phase, P63mc), MgO crystallizes in cubic Fd3m space group and Zn0.5Mg0.5O represents mixed nature of ZnO and MgO lattices. MgO nanocrystals band around 1078 cm-1 is ascribed to the TO-LO surface phonon modes in MgO lattice. In case of Zn0.5Mg0.5O lattice illustrating two bands at 436 and 1087 cm-1. FTIR spectra clearly show the broad band within 450-600 cm-1 is associated with the special vibration of magnesium oxide. FT-IR spectrum of Zn0.5Mg0.5O represents the combined bands of both ZnO-MgO oxides. Further the optical study obtained value of MgO (4.08 eV) is much lower than the corresponding bulk value (7.08 eV). All samples show diamagnetic nature at room temperature.

Synthesis, characterization, and photocatalytic properties of nanocrystalline NZO thin films

NASA Astrophysics Data System (ADS)

Aryanto, D.; Hastuti, E.; Husniya, N.; Sudiro, T.; Nuryadin, B. W.

2018-03-01

Nanocrystalline Ni-doped ZnO (NZO) thin films were synthesized on glass substrate using sol-gel spin coating methods. The effect of annealing on the structural and optical properties of nanocrystalline thin film was studied using X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), UV-VIS spectrophotometry, and photoluminescence (PL). The results showed that the annealing temperature strongly influenced the physical properties of nanocrystalline NZO thin films. The photocatalytic properties of nanocrystalline NZO thin films were evaluated using an aqueous solution of Rhodamine-B. The photocatalytic activity of nanocrystalline NZO thin films increased with the increase of annealing temperature. The results indicated that the structure, morphology, and band gap energy of nanocrystalline NZO thin films played an important role in photocatalytic activity.

Investigation of optical properties of ternary Zn-Ti-O thin films prepared by magnetron reactive co-sputtering

NASA Astrophysics Data System (ADS)

Netrvalová, Marie; Novák, Petr; Šutta, Pavol; Medlín, Rostislav

2017-11-01

Zn-Ti-O thin films with different concentrations of titanium were deposited by reactive magnetron co-sputtering in a reactive Ar/O2 atmosphere from zinc and titanium targets. It was found that with increasing Ti content the structure of the films gradually changes from a fully crystalline pure ZnO wurtzite structure with a strongly preferred columnar orientation to an amorphous Zn-Ti-O material with 12.5 at.% Ti. The optical parameters (spectral refractive index and extinction coefficient, optical band gap) and thickness of the films were analysed by the combined evaluation of ellipsometric measurements and measurements of transmittance on a UV-vis spectrophotometer. For evaluation of optical parameters was used Cody-Lorentz dispersion model.

Comparative Study of Zn(O,S) Buffer Layers and CIGS Solar Cells Fabricated by CBD, ALD, and Sputtering: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramanathan, K.; Mann, J.; Glynn, S.

2012-06-01

Zn(O,S) thin films were deposited by chemical bath deposition (CBD), atomic layer deposition, and sputtering. Composition of the films and band gap were measured and found to follow the trends described in the literature. CBD Zn(O,S) parameters were optimized and resulted in an 18.5% efficiency cell that did not require post annealing, light soaking, or an undoped ZnO layer. Promising results were obtained with sputtering. A 13% efficiency cell was obtained for a Zn(O,S) emitter layer deposited with 0.5%O2. With further optimization of process parameters and an analysis of the loss mechanisms, it should be possible to increase the efficiency.

Effect of ZnO seed layer on the morphology and optical properties of ZnO nanorods grown on GaN buffer layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandi, R., E-mail: rajunandi@iitb.ac.in; Mohan, S., E-mail: rajunandi@iitb.ac.in; Major, S. S.

2014-04-24

ZnO nanorods were grown by chemical bath deposition on sputtered, polycrystalline GaN buffer layers with and without ZnO seed layer. Scanning electron microscopy and X-ray diffraction show that the ZnO nanorods on GaN buffer layers are not vertically well aligned. Photoluminescence spectrum of ZnO nanorods grown on GaN buffer layer, however exhibits a much stronger near-band-edge emission and negligible defect emission, compared to the nanorods grown on ZnO buffer layer. These features are attributed to gallium incorporation at the ZnO-GaN interface. The introduction of a thin (25 nm) ZnO seed layer on GaN buffer layer significantly improves the morphology andmore » vertical alignment of ZnO-NRs without sacrificing the high optical quality of ZnO nanorods on GaN buffer layer. The presence of a thick (200 nm) ZnO seed layer completely masks the effect of the underlying GaN buffer layer on the morphology and optical properties of nanorods.« less

Cd-free buffer layer materials on Cu2ZnSn(SxSe1-x)4: Band alignments with ZnO, ZnS, and In2S3

NASA Astrophysics Data System (ADS)

Barkhouse, D. Aaron R.; Haight, Richard; Sakai, Noriyuki; Hiroi, Homare; Sugimoto, Hiroki; Mitzi, David B.

2012-05-01

The heterojunctions formed between Cu2ZnSn(SxSe1-x)4 (CZTSSe) and three Cd-free n-type buffers, ZnS, ZnO, and In2S3, were studied using femtosecond ultraviolet photoemission and photovoltage spectroscopy. The electronic properties including the Fermi level location at the interface, band bending in the CZTSSe substrate, and valence and conduction band offsets were determined and correlated with device properties. We also describe a method for determining the band bending in the buffer layer and demonstrate this for the In2S3/CZTSSe system. The chemical bath deposited In2S3 buffer is found to have near optimal conduction band offset (0.15 eV), enabling the demonstration of Cd-free In2S3/CZTSSe solar cells with 7.6% power conversion efficiency.

Enhanced photoluminescence properties of Al doped ZnO films

NASA Astrophysics Data System (ADS)

Chen, H. X.; Ding, J. J.

2018-01-01

Al doped ZnO films are fabricated by radio frequency magnetron sputtering. In general, visible emission is related to various defects in ZnO films. However, too much defects will cause light emission quench. So it is still a controversial issue to control appropriate defect concentrations. In this paper, based on our previous results, appropriate Al doping concentration is chosen to introduce more both interstitial Zn and O vacancy defects, which is responsible for main visible emission of ZnO films. A strong emission band located at 405 nm and a long tail peak is observed in the samples. As Al is doped in ZnO films, the intensity of emission peaks increases. Zn interstitial might increase with the increasing Al3+ substitute because ZnO was a self-assembled oxide compound. So Zn interstitial defect concentration in Al doped ZnO films will increase greatly, which results in the intensity of emission peaks increases.

Room temperature synthesis and optical properties of small diameter (5 nm) ZnO nanorod arrays.

PubMed

Cho, Seungho; Jang, Ji-Wook; Lee, Jae Sung; Lee, Kun-Hong

2010-10-01

We report a simple wet-chemical synthesis of ∼5 nm diameter ZnO nanorod arrays at room temperature (20 °C) and normal atmospheric pressure (1 atm) and their optical properties. They were single crystalline in nature, and grew in the [001] direction. These small diameter ZnO nanorod arrays can also be synthesized at 0 °C. Control experiments were also conducted. On the basis of the results, we propose a mechanism for the spontaneous growth of the small diameter ZnO structures. The optical properties of the 5 nm diameter ZnO nanorod arrays synthesized using this method were probed by UV-Visible diffuse reflectance spectroscopy. A clear blue-shift, relative to the absorption band from 50 nm diameter ZnO nanorod arrays, was attributed to the quantum confinement effects caused by the small nanocrystal size in the 5 nm diameter ZnO nanorods.

The Impact of Iron Adsorption on the Electronic and Photocatalytic Properties of the Zinc Oxide (0001) Surface: A First-Principles Study.

PubMed

Cheng, Jingsi; Wang, Ping; Hua, Chao; Yang, Yintang; Zhang, Zhiyong

2018-03-12

The structural stability, electronic structure, and optical properties of an iron-adsorbed ZnO (0001) surface with three high-symmetry adsorption sites are investigated with first-principle calculations on the basis of density functional theory and the Hubbard-U method. It is found that the iron adatom in the H₃ adsorption site of ZnO (0001) surface has the lowest adsorption energy of -5.665 eV compared with T₄ and Top sites. For the Top site, compared with the pristine ZnO (0001) surface, the absorption peak located at 1.17 eV has a red shift, and the elevation of the absorption coefficient is more pronounced in the visible-light region, because the Fe-related levels are introduced in the forbidden band and near the Fermi level. The electrostatic potential computation reveals that the work function of the ZnO (0001) surface is significantly decreased from 2.340 to 1.768 eV when iron is adsorbed on the Top site. Furthermore, the degradation mechanism based on the band structure is analyzed. It can be concluded that the adsorption of iron will promote the separation of photoinduced carriers, thus improving the photocatalytic activity of ZnO (0001) surface. Our study benefits research on the photocatalytic activity of ZnO and the utilization rate of solar energy.

Influence of solution viscosity on hydrothermally grown ZnO thin films for DSSC applications

NASA Astrophysics Data System (ADS)

Marimuthu, T.; Anandhan, N.; Thangamuthu, R.; Surya, S.

2016-10-01

Zinc oxide (ZnO) nanowire arrays (NWAs) were grown onto zinc oxide-titanium dioxide (ZnO-TiO2) seeded fluorine doped tin oxide (FTO) conductive substrate by hydrothermal technique. X-ray diffraction (XRD) patterns depict that ZnO thin films are preferentially oriented along the (002) plane with hexagonal wurtzite structure. Viscosity measurements reveal that viscosity of the solutions linearly increases as the concentrations of the polyvinyl alcohol (PVA) increase in the growth solution. Field emission scanning electron microscope (FE-SEM) images show that the NWAs are vertically grown to seeded FTO substrate with hexagonal structure, and the growth of NWAs decreases as the concentration of the PVA increases. Stylus profilometer and atomic force microscopic (AFM) studies predict that the thickness and roughness of the films decrease with increasing the PVA concentrations. The NWAs prepared at 0.1% of PVA exhibits a lower transmittance and higher absorbance than that of the other films. The band gap of the optimized films prepared at 0.0 and 0.1% of PVA is found to be 3.270 and 3.268 eV, respectively. The photo to current conversion efficiency of the DSSC based on photoanodes prepared at 0.0 and 0.1% of PVA exhibits about 0.64 and 0.82%, respectively. Electrochemical impedance spectra reveal that the DSSC based on photoanode prepared at 0.1% of PVA has the highest charge transfer recombination resistance.

Enhanced photoluminescence and field-emission behavior of vertically well aligned arrays of In-doped ZnO Nanowires.

PubMed

Ahmad, Mashkoor; Sun, Hongyu; Zhu, Jing

2011-04-01

Vertically oriented well-aligned Indium doped ZnO nanowires (NWs) have been successfully synthesized on Au-coated Zn substrate by controlled thermal evaporation. The effect of indium dopant on the optical and field-emission properties of these well-aligned ZnO NWs is investigated. The doped NWs are found to be single crystals grown along the c-axis. The composition of the doped NWs is confirmed by X-ray diffraction (XRD), energy-dispersive spectroscopy (EDS), and X-ray photospectroscopy (XPS). The photoluminescence (PL) spectra of doped NWs having a blue-shift in the UV region show a prominent tuning in the optical band gap, without any significant peak relating to intrinsic defects. The turn-on field of the field emission is found to be ∼2.4 V μm(-1) and an emission current density of 1.13 mA cm(-2) under the field of 5.9 V μm(-1). The field enhancement factor β is estimated to be 9490 ± 2, which is much higher than that of any previous report. Furthermore, the doped NWs exhibit good emission current stability with a variation of less than 5% during a 200 s under a field of 5.9 V μm(-1). The superior field emission properties are attributed to the good alignment, high aspect ratio, and better crystallinity of In-doped NWs. © 2011 American Chemical Society

The effects of Mg incorporation and annealing temperature on the physicochemical properties and antibacterial activity against Listeria monocytogenes of ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Shadan, Nima; Ziabari, Ali Abdolahzadeh; Meraat, Rafieh; Jalali, Kamyar Mazloum

2017-02-01

In this paper, Mg-doped ZnO nanoparticles were synthesized by the facile sol-gel method. The crystalline structure, characteristic absorption bands and morphology of the obtained Mg-doped ZnO nanoparticles were studied by XRD, FTIR and TEM. The thermal degradation behaviour of the samples was investigated by differential scanning calorimetry (DSC) and thermogravimetry (TG). The effect of Mg concentrations and annealing temperatures on the antibacterial properties of the obtained nanoparticles was investigated in detail. The results indicated that doping Mg ions into ZnO lattice could enhance its antibacterial activity. Antibacterial assay demonstrated that Mg-doped ZnO with 7% Mg content annealed at 400 ∘C had the strongest antibacterial activity against Listeria monocytogenes (98.7%). This study indicated that the inhibition rate of ZnO nanoparticles increased with the formation of granular structure and the decrease of ZnO size due to the doping of Mg ions into the ZnO lattice.

Structural, optical, and LED characteristics of ZnO and Al doped ZnO thin films

NASA Astrophysics Data System (ADS)

Sandeep, K. M.; Bhat, Shreesha; Dharmaprakash, S. M.

2017-05-01

ZnO (pristine) and Al doped ZnO (AZO) films were prepared using sol-gel spin coating method. The XRD analysis showed the enhanced compressive stress in AZO film. The presence of extended states below the conduction band edge in AZO accounts for the redshift in optical bandgap. The PL spectra of AZO showed significant blue emission due to the carrier recombination from defect states. The TRPL curves showed the dominant DAP recombination in ZnO film, whereas defect related recombination in Al doped ZnO film. Color parameters viz: the dominant wavelength, color coordinates (x,y), color purity, luminous efficiency and correlated color temperature (CCT) of ZnO and AZO films are calculated using 1931 (CIE) diagram. Further, a strong blue emission with color purity more than 96% is observed in both the films. The enhanced blue emission in AZO significantly increased the luminous efficiency (22.8%) compared to ZnO film (10.8%). The prepared films may be used as blue phosphors in white light generation.

Influence of wide band gap oxide substrates on the photoelectrochemical properties and structural disorder of CdS nanoparticles grown by the successive ionic layer adsorption and reaction (SILAR) method

PubMed Central

Malashchonak, Mikalai V; Korolik, Olga V; Streltsov, Еugene А; Kulak, Anatoly I

2015-01-01

Summary The photoelectrochemical properties of nanoheterostructures based on the wide band gap oxide substrates (ZnO, TiO2, In2O3) and CdS nanoparticles deposited by the successive ionic layer adsorption and reaction (SILAR) method have been studied as a function of the CdS deposition cycle number (N). The incident photon-to-current conversion efficiency (IPCE) passes through a maximum with the increase of N, which is ascribed to the competition between the increase in optical absorption and photocarrier recombination. The maximal IPCE values for the In2O3/CdS and ZnO/CdS heterostructures are attained at N ≈ 20, whereas for TiO2/CdS, the appropriate N value is an order of magnitude higher. The photocurrent and Raman spectroscopy studies of CdS nanoparticles revealed the occurrence of the quantum confinement effect, demonstrating the most rapid weakening with the increase of N in ZnO/CdS heterostructures. The structural disorder of CdS nanoparticles was characterized by the Urbach energy (E U), spectral width of the CdS longitudinal optical (LO) phonon band and the relative intensity of the surface optical (SO) phonon band in the Raman spectra. Maximal values of E U (100–120 meV) correspond to СdS nanoparticles on a In2O3 surface, correlating with the fact that the CdS LO band spectral width and intensity ratio for the CdS SO and LO bands are maximal for In2O3/CdS films. A notable variation in the degree of disorder of CdS nanoparticles is observed only in the initial stages of CdS growth (several tens of deposition cycles), indicating the preservation of the nanocrystalline state of CdS over a wide range of SILAR cycles. PMID:26734517

Influence of wide band gap oxide substrates on the photoelectrochemical properties and structural disorder of CdS nanoparticles grown by the successive ionic layer adsorption and reaction (SILAR) method.

PubMed

Malashchonak, Mikalai V; Mazanik, Alexander V; Korolik, Olga V; Streltsov, Еugene А; Kulak, Anatoly I

2015-01-01

The photoelectrochemical properties of nanoheterostructures based on the wide band gap oxide substrates (ZnO, TiO2, In2O3) and CdS nanoparticles deposited by the successive ionic layer adsorption and reaction (SILAR) method have been studied as a function of the CdS deposition cycle number (N). The incident photon-to-current conversion efficiency (IPCE) passes through a maximum with the increase of N, which is ascribed to the competition between the increase in optical absorption and photocarrier recombination. The maximal IPCE values for the In2O3/CdS and ZnO/CdS heterostructures are attained at N ≈ 20, whereas for TiO2/CdS, the appropriate N value is an order of magnitude higher. The photocurrent and Raman spectroscopy studies of CdS nanoparticles revealed the occurrence of the quantum confinement effect, demonstrating the most rapid weakening with the increase of N in ZnO/CdS heterostructures. The structural disorder of CdS nanoparticles was characterized by the Urbach energy (E U), spectral width of the CdS longitudinal optical (LO) phonon band and the relative intensity of the surface optical (SO) phonon band in the Raman spectra. Maximal values of E U (100-120 meV) correspond to СdS nanoparticles on a In2O3 surface, correlating with the fact that the CdS LO band spectral width and intensity ratio for the CdS SO and LO bands are maximal for In2O3/CdS films. A notable variation in the degree of disorder of CdS nanoparticles is observed only in the initial stages of CdS growth (several tens of deposition cycles), indicating the preservation of the nanocrystalline state of CdS over a wide range of SILAR cycles.

Development of n-ZnO/p-Si single heterojunction solar cell with and without interfacial layer

NASA Astrophysics Data System (ADS)

Hussain, Babar

The conversion efficiency of conventional silicon (Si) photovoltaic cells has not been improved significantly during last two decades but their cost decreased dramatically during this time. However, the higher price-per-watt of solar cells is still the main bottleneck in their widespread use for power generation. Therefore, new materials need to be explored for the fabrication of solar cells potentially with lower cost and higher efficiency. The n-type zinc oxide (n-ZnO) and p-type Si (p-Si) based single heterojunction solar cell (SHJSC) is one of the several attempts to replace conventional Si single homojunction solar cell technology. There are three inadequacies in the literature related to n-ZnO/p-Si SHJSC: (1) a detailed theoretical analysis to evaluate potential of the solar cell structure, (2) inconsistencies in the reported value of open circuit voltage (VOC) of the solar cell, and (3) lower value of experimentally achieved VOC as compared to theoretical prediction based on band-bending between n-ZnO and p-Si. Furthermore, the scientific community lacks consensus on the optimum growth parameters of ZnO. In this dissertation, I present simulation and experimental results related to n-ZnO/p-Si SHJSC to fill the gaps mentioned above. Modeling and simulation of the solar cell structure are performed using PC1D and AFORS-HET software taking practical constraints into account to explore the potential of the structure. Also, unnoticed benefits of ZnO in solar cells such as an additional antireflection (AR) effect and low temperature deposition are highlighted. The growth parameters of ZnO using metal organic chemical vapor deposition and sputtering are optimized. The structural, optical, and electrical characterization of ZnO thin films grown on sapphire and Si substrates is performed. Several n-ZnO/p-Si SHJSC devices are fabricated to confirm the repeatability of the VOC. Moreover, the AR effect of ZnO while working as an n-type layer is experimentally verified. The spatial analysis for thickness uniformity and optical quality of ZnO films is carried out. These properties turn out to play a fundamental role in device performance and so far have been overlooked by the research community. Three different materials are used as a quantum buffer layer at the interface of ZnO and Si to suppress the interface states and improve the VOC. The best measured value of VOC of 359 mV is achieved using amorphous-ZnO (a-ZnO) as the buffer layer at the interface. Finally, supplementary simulations are performed to optimize the valence-band and conduction-band offsets by engineering the bandgap and electron affinity of ZnO. After we published our initial results related to the feasibility of n-ZnO/p-Si SHJSC [Sol. Energ. Mat. Sol. Cells 139 (2015) 95-100], different research groups have fabricated and reported the solar cell performance with the best efficiency of 7.1% demonstrated very recently by Pietruszka et al. [Sol. Energ. Mat. Sol. Cells 147 (2016) 164-170]. We conclude that major challenge in n-ZnO/p-Si SHJSC is to overcome Fermi-level pinning at the hetero-interface. A potential solution is to use the appropriate material as buffer layer which is confirmed by observing an improvement in VOC using a-ZnO at the interface as buffer layer. Once the interface quality is improved and the experimental value of VOC matched the theoretical prediction, the n-ZnO/p-Si SHJSC can potentially have significant contribution in solar cells industry.

Paramagnetic dysprosium-doped zinc oxide thin films grown by pulsed-laser deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lo, Fang-Yuh, E-mail: fangyuhlo@ntnu.edu.tw; Ting, Yi-Chieh; Chou, Kai-Chieh

2015-06-07

Dysprosium(Dy)-doped zinc oxide (Dy:ZnO) thin films were fabricated on c-oriented sapphire substrate by pulsed-laser deposition with doping concentration ranging from 1 to 10 at. %. X-ray diffraction (XRD), Raman-scattering, optical transmission spectroscopy, and spectroscopic ellipsometry revealed incorporation of Dy into ZnO host matrix without secondary phase. Solubility limit of Dy in ZnO under our deposition condition was between 5 and 10 at. % according to XRD and Raman-scattering characteristics. Optical transmission spectroscopy and spectroscopic ellipsometry also showed increase in both transmittance in ultraviolet regime and band gap of Dy:ZnO with increasing Dy density. Zinc vacancies and zinc interstitials were identified by photoluminescencemore » spectroscopy as the defects accompanied with Dy incorporation. Magnetic investigations with a superconducting quantum interference device showed paramagnetism without long-range order for all Dy:ZnO thin films, and a hint of antiferromagnetic alignment of Dy impurities was observed at highest doping concentration—indicating the overall contribution of zinc vacancies and zinc interstitials to magnetic interaction was either neutral or toward antiferromagnetic. From our investigations, Dy:ZnO thin films could be useful for spin alignment and magneto-optical applications.« less

Self-powered highly enhanced broad wavelength (UV to visible) photoresponse of ZnO@ZnO1-xSx@ZnS core-shell heterostructures.

PubMed

Sarkar, Sanjit; Das Mahapatra, Ayon; Basak, Durga

2018-08-01

In the present scenario of energy crisis, it is inevitable to focus on the low powered or self-powered devices. Multi-spectral photoresponse is an additional advantage to the above feature. We have developed an efficient self-powered photodetector with broad wavelength detection range based on heterostructures of two wide band-gap materials ZnO and ZnS. More than two orders higher responsivity and 'ON/OFF' ratio has been observed in case of heterostructure sample as compared to pristine ZnO. On the basis of the controlled experimental results, it has been established that the interfacial surface engineering, can be useful to improve the visible response and a significant photovoltaic performance under visible light illumination can be achieved. Unlike the other recent reports on self-powered UV-visible photodetector, we have achieved two order higher visible response without compromising the UV photoresponse. Unprecedented broad wavelength photodetection in self-powered mode in the present study highlights the uniqueness and advantage of an interface in a core-shell heterostructure for photodetection applications. Copyright © 2018 Elsevier Inc. All rights reserved.

Synthesis and Magnetic Properties of Ni-DOPED ZnO Thin Films: Experimental and AB INITIO Study

NASA Astrophysics Data System (ADS)

Rouchdi, M.; Salmani, E.; Hat, A. El; Hassanain, N.; Mzerd, A.

Structural and magnetic properties of Zn1-xNixO thin films and diluted magnetic semiconductors have been investigated. This sample has been synthesized using a spray pyrolysis technique with a stoechiometric mixture of zinc acetate (C4H6O4Znṡ2H2O) and Nickel acetate (C4H6O4Niṡ 2H2O) on a heated glass substrate at 450∘C. The films were characterized by X-ray diffraction (XRD), UV-Vis spectrophotometry and Hall Effect measurements. These films of ZnO crystallized in the hexagonal Wurtzite structure. The optical study showed that the band-gap energy was increased, from 3.3eV to 3.5eV, with increasing the Ni concentration. The film resistivity was affected by Ni-doping, and the best resistivity value 1.15×10-2 (Ω cm) was obtained for the film doped with 2 at.% Ni. The electronic structure and optical properties of the Wurtzite structure Zn1-xNixO were obtained by first-principles calculations using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation (CPA), as well as CPA confirm our results.

The effect of the solution flow rate on the properties of zinc oxide (ZnO) thin films deposited by ultrasonic spray

NASA Astrophysics Data System (ADS)

Attaf, A.; Benkhetta, Y.; Saidi, H.; Bouhdjar, A.; Bendjedidi, H.; Nouadji, M.; Lehraki, N.

2015-03-01

In this work, we used a system based on ultrasonic spray pyrolysis technique. By witch, we have deposited thin films of zinc oxide (ZnO) with the variation of solution flow rate from 50 ml / h to 150 ml / h, and set other parameters such as the concentration of the solution, the deposition time, substrate temperature and the nozzel -substrate distance. In order to study the influence of the solution flow rate on the properties of the films produced, we have several characterization techniques such as X-ray diffraction to determine the films structure, the scanning electron microscopy SEM for the morphology of the surfaces, EDS spectroscopy for the chemical composition, UV-Visible-Nir spectroscopy for determination the optical proprieties of thin films.The experimental results show that: the films have hexagonal structure at the type (wurtzite), the average size of grains varies from 20.11 to 32.45 nm, the transmittance of the films equals 80% in visible rang and the band gap is varied between 3.274 and 3.282 eV, when the solution flow rate increases from 50 to 150 ml/h.

Synthesis, characterization and photocatalytic activity of mixed oxides derived from ZnAlTi ternary layered double hydroxides

NASA Astrophysics Data System (ADS)

Sahu, R. K.; Mohanta, B. S.; Das, N. N.

2013-09-01

A new series of Ti4+ containing ZnAl-LDHs with varying Zn:Al:Ti (~3:1:0-3:0.5:0.5) ratio were prepared by coprecipitation of homogeneous solution metal salts and characterized by various physicochemical methods. Powder XRD revealed the formation of well crystallized LDH even at the highest Ti4+ content. On thermal treatment at 450 °C, the well crystallized LDH precursors yielded mixed oxides with BET surface area in the range 92-118 m2/g. UV-vis diffuse reflection spectroscopy (DRS) showed a marginal decrease of band gap energy for calcined ZnAlTi-LDHs in comparison to either ZnO or TiO2-P25. The TEM analyses of a representative sample (as-synthesized and calcined) indicated more or less uniform distribution of titanium species. The derived mixed oxides from titanium containing LDH precursors demonstrated better activity toward photodegradation of methylene blue and rhodamine B than those of a physical mixture of ZnO and TiO2. Moreover, the present work not only provided a first hand understanding about semiconductor properties of ZnAlTi-LDHs but also demonstrated their potential as photocatalysts for degradation of organic pollutants.

Formation of Isolated Zn Vacancies in ZnO Single Crystals by Absorption of Ultraviolet Radiation: A Combined Study Using Positron Annihilation, Photoluminescence, and Mass Spectroscopy

NASA Astrophysics Data System (ADS)

Khan, Enamul H.; Weber, Marc H.; McCluskey, Matthew D.

2013-07-01

Positron annihilation spectra reveal isolated zinc vacancy (VZn) creation in single-crystal ZnO exposed to 193-nm radiation at 100mJ/cm2 fluence. The appearance of a photoluminescence excitation peak at 3.18 eV in irradiated ZnO is attributed to an electronic transition from the VZn acceptor level at ˜100meV to the conduction band. The observed VZn density profile and hyperthermal Zn+ ion emission support zinc vacancy-interstitial Frenkel pair creation by exciting a wide 6.34 eV Zn-O antibonding state at 193-nm photon—a novel photoelectronic process for controlled VZn creation in ZnO.

Formation of isolated Zn vacancies in ZnO single crystals by absorption of ultraviolet radiation: a combined study using positron annihilation, photoluminescence, and mass spectroscopy.

PubMed

Khan, Enamul H; Weber, Marc H; McCluskey, Matthew D

2013-07-05

Positron annihilation spectra reveal isolated zinc vacancy (V(Zn)) creation in single-crystal ZnO exposed to 193-nm radiation at 100 mJ/cm(2) fluence. The appearance of a photoluminescence excitation peak at 3.18 eV in irradiated ZnO is attributed to an electronic transition from the V(Zn) acceptor level at ~100 meV to the conduction band. The observed V(Zn) density profile and hyperthermal Zn(+) ion emission support zinc vacancy-interstitial Frenkel pair creation by exciting a wide 6.34 eV Zn-O antibonding state at 193-nm photon-a novel photoelectronic process for controlled V(Zn) creation in ZnO.

Hexagonal and prismatic nanowalled ZnO microboxes.

PubMed

Zhao, Fenghua; Lin, Wenjiao; Wu, Mingmei; Xu, Ningsheng; Yang, Xianfeng; Tian, Z Ryan; Su, Qiang

2006-04-17

We hereby report hydrothermal syntheses of new microstructures of semiconducting ZnO. Single-crystalline prismatic ZnO microboxes formed by nanowalls and hexagonal hollow microdisks closed by plates with micron-sized inorganic fullerene-like structures have been made in a base-free medium through a one-step hydrothermal synthesis with the help of n-butanol (NB). Structures and morphologies of the products were confirmed by results from powder X-ray diffraction and scanning electron microscopy. NB has been found to play a crucial role in the growth of these hollow structures. It is indicated that these hollow ZnO crystals were grown from redissolution of interiors. These ZnO microboxes exhibit a band emission in the visible range, implying the possession of a high content of defects.

Structural, thermal and optical absorption features of heavy metal oxides doped tellurite rich glasses

NASA Astrophysics Data System (ADS)

Kaky, Kawa M.; Lakshminarayana, G.; Baki, S. O.; Kityk, I. V.; Taufiq-Yap, Y. H.; Mahdi, M. A.

In order to improve tellurite glass stability to be applicable for optical fiber amplifier applications, glasses with the composition of (70 - x)TeO2. (10)ZnO. (10)WO3. (5)Na2O. (5)TiO2. (x)Bi2O3 (x = 1, 2, 3, 4, and 5 mol%) have been produced and characterized using the related methods. Structural properties were investigated using X-ray diffraction (XRD) which confirms the non-crystalline structure and scanning electron microscopy (SEM) micrographs also confirm the XRD results. The energy dispersive X-ray (EDX) analysis profiles show that all the mentioned elements are present in the prepared glasses. Following the IR spectra, all the tellurium bonds such as stretching vibrations of TeO4 tbp and TeO3/TeO3+1 unit are revealed. Raman spectra confirm the presence of different functional groups, actually, it shows bands mainly in four spectral regions: R1 (65-150) cm-1, R2 (280-550) cm-1, R3 (880-950) cm-1 and R4 (916-926) cm-1 and the identified bands are assigned to respective molecular groups. The thermal study was carried out using Differential scanning calorimetry (DSC) which indicates good thermal stability of the synthesized glasses with increasing Bi concentration. From the optical absorption spectra, we evaluated cut-off edge wavelengths and found increasing cutoff wavelength with an increase in Bi2O3 concentration. In the UV-Visible region, optical band gap energy and allowed transitions were investigated using three methods; direct, indirect, and absorption spectrum fitting (ASF), and band gaps from indirect and ASF were matched.

On the defect origin of the room-temperature magnetism universally exhibited by metal-oxide nanoparticles.

PubMed

Panchakarla, L S; Sundarayya, Y; Manjunatha, S; Sundaresan, A; Rao, C N R

2010-06-07

The occurrence of ferromagnetism in nanoparticles of otherwise non-magnetic oxides seems to be well established. It is, however, necessary to understand the origin of ferromagnetism in these materials. Herein, we present a combined study of the magnetic properties and photoluminescence (PL) behavior of nanoparticles of ZnO, ZrO(2), and MgO annealed at different temperatures (and therefore of different sizes). We find that the magnetization and the intensity of the bands due to defects vary parallel in all these materials. The adsorption of ethanol leads to a decrease in the magnetization and to a reduced intensity of the defect PL band of ZnO nanoparticles whereas UV irradiation has the opposite effect. We have also examined the effect of the morphology of the ZnO on the properties.

Characterization and spectroscopic studies of multi-component calcium zinc bismuth phosphate glass ceramics doped with iron ions

NASA Astrophysics Data System (ADS)

Kumar, A. Suneel; Narendrudu, T.; Suresh, S.; Ram, G. Chinna; Rao, M. V. Sambasiva; Tirupataiah, Ch.; Rao, D. Krishna

2018-04-01

Glass ceramics with the composition 10CaF2-20ZnO-(15-x)Bi2O3-55P2O5:x Fe2O3(0≤x≤2.5) were synthesized by melt-quenching technique and heat treatment. These glass ceramics were characterized by XRD and SEM. Spectroscopic studies such as optical absorption, EPR were also carried out on these glass ceramics. From the absorption spectra the observed bands around 438 and 660nm are the octahedral transitions of Fe3+ (d5) ions and another band at about 536 nm is the tetrahedral transition of Fe3+ (d5) ions. The absorption spectrum also consist of a band around 991 nm and is attributed to the octahedral transition of Fe2+ ions. The EPR spectra of the prepared glass ceramics have exhibited two resonance signals one at g1=4.32 and another signal at g2=2.008. The observed decrease in band gap energy up to 2 mol% Fe2O3 doped glass ceramics is an evidence for the change of environment around iron ions and ligands from more covalent to less covalent (ionic) and induces higher concentration of NBOs which causes the depolymerization of the glass ceramic network.