Observation of ZnS nanoparticles sputtered from ZnS films under 2 MeV Au irradiation

NASA Astrophysics Data System (ADS)

Kuiri, P. K.; Joseph, B.; Ghatak, J.; Lenka, H. P.; Sahu, G.; Acharya, B. S.; Mahapatra, D. P.

2006-07-01

ZnS nanoparticles have been observed on catcher foils due to 2 MeV Au ion irradiation of ZnS films thermally evaporated on Si(1 0 0) substrates. The structure and size distribution of nanoclusters collected were studied using transmission electron microscopy for irradiation fluences in the range of 1 × 10 11-1 × 10 15 ions cm -2. The nanoclusters were found to have a hexagonal wurtzite structure. Optical absorption measurements on similarly deposited ZnS on silica glass indicate the film to be also composed of hexagonal wurtzite ZnS. Based on this and available data we argue that the observed nanoparticles on the catcher foils are the results of shock waves induced emission of material chunks with the same atomic coordination as in the target.

Hole-mediated stabilization of cubic GaN.

PubMed

Dalpian, Gustavo M; Wei, Su-Huai

2004-11-19

We propose here a new approach to stabilize the cubic zinc-blende (ZB) phase by incorporation of impurities into a compound that has a hexagonal wurtzite (WZ) ground state. For GaN, we suggest that this can be achieved by adding 3d acceptors such as Zn, Mn, or Cu because the p-d repulsion between the 3d impurity levels and the valence band maximum is larger in the ZB phase than in the WZ phase. This makes the top of the valence states of the ZB structure higher than that of the WZ structure. As holes are created at the top of the valence states by the impurities, it will cost less energy for the holes to be created in the ZB structure, thus stabilizing this phase. Our first-principles total energy calculations confirm this novel idea.

Low temperature synthesis of hexagonal ZnO nanorods and their hydrogen sensing properties

NASA Astrophysics Data System (ADS)

Qurashi, Ahsanulhaq; Faiz, M.; Tabet, N.; Alam, Mir Waqas

2011-08-01

The growth of hexagonal ZnO nanorods was demonstrated by low temperature chemical synthesis approach. X-ray diffraction (XRD) analysis revealed a wurtzite hexagonal structure of the ZnO nanorods. The optical properties were measured by UV-vis spectrophotometer at room temperature. X-ray photoelectron spectroscopy (XPS) confirmed high purity of the ZnO nanorods. The hydrogen sensor made of the ZnO nanorods showed reversible response. The hydrogen gas tests were carried out in presence of ambient air and the influence of operation temperature on the hydrogen gas sensing property of ZnO nanorods was also investigated.

Chemically stabilized epitaxial wurtzite-BN thin film

NASA Astrophysics Data System (ADS)

Vishal, Badri; Singh, Rajendra; Chaturvedi, Abhishek; Sharma, Ankit; Sreedhara, M. B.; Sahu, Rajib; Bhat, Usha; Ramamurty, Upadrasta; Datta, Ranjan

2018-03-01

We report on the chemically stabilized epitaxial w-BN thin film grown on c-plane sapphire by pulsed laser deposition under slow kinetic condition. Traces of no other allotropes such as cubic (c) or hexagonal (h) BN phases are present. Sapphire substrate plays a significant role in stabilizing the metastable w-BN from h-BN target under unusual PLD growth condition involving low temperature and pressure and is explained based on density functional theory calculation. The hardness and the elastic modulus of the w-BN film are 37 & 339 GPa, respectively measured by indentation along <0001> direction. The results are extremely promising in advancing the microelectronic and mechanical tooling industry.

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.

Microstructural study of Mg-doped p-type GaN: Correlation between high-resolution electron microscopy and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Tsen, S.-C. Y.; Smith, David J.; Tsen, K. T.; Kim, W.; Morkoç, H.

1997-12-01

A series of Mg-doped GaN films (˜1-1.3 μm) grown by reactive molecular beam epitaxy at substrate temperatures of 750 and 800 °C has been studied by high-resolution electron microscopy (HREM) and Raman spectroscopy. Stacking defects parallel to the substrate surface were observed in samples grown on sapphire substrates at 750 °C with AlN buffer layers (60-70 nm) at low Mg concentration. A transition region with mixed zinc-blende cubic (c) and wurtzite hexagonal (h) phases having the relative orientations of (111)c//(00.1)h and (11¯0)c//(10.0)h was observed for increased Mg concentration. The top surfaces of highly doped samples were rough and assumed a completely zinc-blende phase with some inclined stacking faults. Samples grown with a Mg cell temperature of 350 °C and high doping levels were highly disordered with many small crystals having inclined stacking faults, microtwins, and defective wurtzite and zinc-blende phases. Correlation between HREM and Raman scattering results points towards the presence of compressive lattice distortion along the growth direction which might be attributable to structural defects. The films grown at 800 °C had better quality with less observable defects and less yellow luminescence than samples grown at 750 °C.

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.

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

Nanocrystalline ZnO as a Visible Active Photocatalyst for the Degradation of Benzene-1,4-diol

NASA Astrophysics Data System (ADS)

Ramachandran, Saranya; Sivasamy, A.

We have synthesized nanocrystalline ZnO by a simple precipitation method. The prepared ZnO was found to be highly phase pure and nanocrystalline hexagonal wurtzite structure. UV-Visible-DRS spectroscopy showed the material to have bandgap energy of 3.22eV. HR-SEM image revealed the material to be made up of distinct hexagonal particles with a highly porous surface. AFM analysis was employed to confirm the high surface roughness and porosity of the material. The photocatalytic activity of the prepared ZnO was evaluated by the degradation of benzene-1,4-diol (hydroquinone), under visible light irradiation. Preliminary experiments showed the catalyst to be effective at neutral pH with an optimum catalyst dosage of 4g/L. Kinetic studies showed the degradation reaction to follow pseudo-first-order kinetics. In the presence of commonly used industrial electrolytes, the catalyst exhibited a decrease in efficiency. Reusability studies showed the catalytic efficiency of ZnO to diminish marginally after the third cycle of reuse.

Effect of intrinsic zinc oxide coating on the properties of Al-doped zinc oxide nanorod arrays

NASA Astrophysics Data System (ADS)

Saidi, S. A.; Mamat, M. H.; Ismail, A. S.; Malek, M. F.; Yusoff, M. M.; Sin, N. D. Md.; Zoolfakar, A. S.; Khusaimi, Z.; Rusop, M.

2018-05-01

The aim of this study was to explore the influence of intrinsic zinc oxide (ZnO) coating fabricated by a simple immersion method. X-ray powder diffraction (XRD) analysis indicated that the Al-doped ZnO nanorod arrays films had a hexagonal wurtzite structure, similar to that of an intrinsic ZnO coating. Structural properties of the samples were characterised using field emission scanning electron microscopy (FESEM; JEOL JSM-7600F) and optical properties using X-ray diffraction (XRD). The XRD results showed that all films were crystallized under hexagonal wurtzite structure and presented a preferential orientation along the c-axis (002) was obtained. The XRD results showed that the intrinsic ZnO coating material had a strong orientation, whereas the ZnO was randomly oriented. Overall these results indicate that intrinsic ZnO coating are pontetial for the creation of functional materials such as barrier protection, optoelectronic devices, humidity sensor and ultraviolet photoconductive sensor.

Synthesis and magnetic properties of Zr doped ZnO Nanoparticles.

PubMed

Zhang, Jing; Gao, Daqiang; Yang, Guijin; Zhang, Jinlin; Shi, Zhenhua; Zhang, Zhaohui; Zhu, Zhonghua; Xue, Desheng

2011-11-10

Zr doped ZnO nanoparticles are prepared by the sol-gel method with post-annealing. X-ray diffraction results show that all samples are the typical hexagonal wurtzite structure without any other new phase, as well as the Zr atoms have successfully entered into the ZnO lattices instead of forming other lattices. Magnetic measurements indicate that all the doping samples show room temperature ferromagnetism and the pure ZnO is paramagneism. The results of Raman and X-ray photoelectron spectroscopy indicate that there are a lot of oxygen vacancies in the samples by doping element of Zr. It is considered that the observed ferromagnetism is related to the doping induced oxygen vacancies.

Local structure analysis of diluted magnetic semiconductor Co and Al co-doped ZnO nanoparticles

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

Hyodo, K.; Morimoto, S.; Yamazaki, T.

2016-02-01

In this study, Co and Al ions co-doped ZnO nanoparticles (Zn(Al, Co)O NPs) were prepared by our original chemical preparation method. The obtained samples prepared by this method, were encapsulated in amorphous SiO{sub 2}. X-ray diffraction (XRD) results showed Zn(Al, Co)O NPs had a single-phase nature with hexagonal wurtzite structure. These particle sizes could be controlled to be approximately 30 nm. We investigate the effect that the increase in the carrier has on the magnetization by doping Al to Co-doped ZnO NPs. The local structures were qualitatively analyzed using X-ray absorption fine structure (XAFS) measurements.

Mahan excitons in degenerate wurtzite InN: Photoluminescence spectroscopy and reflectivity measurements

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Däubler, Jürgen; Thonke, Klaus; Sauer, Rolf; Schley, Pascal; Goldhahn, Rüdiger

2008-06-01

Unintentionally degenerately doped n -type hexagonal wurtzite InN samples were studied by using Fourier-transform photoluminescence spectroscopy and reflectivity measurements. We found in luminescence overlapping band acceptor (e,A0) transitions related to two different acceptors with a strong enhancement of their intensities close to the Fermi energy of the electrons recombining with the localized holes. Our explanation is in terms of a Fermi-edge singularity of the electrons due to strongly increased electron-hole scattering. Electron-hole pairs with such resonantly enhanced oscillator strengths have been referred to as Mahan excitons. Temperature-dependent reflectivity measurements confirm this interpretation.

Average and local crystal structures of (Ga 1–xZn x)(N 1–xO x) solid solution nanoparticles

DOE PAGES

Feygenson, Mikhail; Neuefeind, Joerg C.; Tyson, Trevor A.; ...

2015-11-06

We report the comprehensive study of the crystal structure of (Ga 1–xZn x)(N 1–xO x) solid solution nanoparticles by means of neutron and synchrotron x-ray scattering. In our study we used four different types of (Ga 1–xZn x)(N 1–xO x) nanoparticles, with diameters of 10–27 nm and x = 0.075–0.51, which show the narrow energy-band gaps from 2.21 to 2.61 eV. The Rietveld analysis of the neutron diffraction data revealed that the average crystal structure is the hexagonal wurtzite (space group P6 3mc), in agreement with previous reports on similar bulk materials. The pair-distribution function (PDF) analysis of the samemore » data found that the local structure is more disordered than the average one. It is best described by the model with a lower symmetry space group P1, where atoms are quasirandomly distorted from their nominal positions in the hexagonal wurtzite lattice.« less

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.

Electrical properties of zinc-oxide-based thin-film transistors using strontium-oxide-doped semiconductors

NASA Astrophysics Data System (ADS)

Wu, Shao-Hang; Zhang, Nan; Hu, Yong-Sheng; Chen, Hong; Jiang, Da-Peng; Liu, Xing-Yuan

2015-10-01

Strontium-zinc-oxide (SrZnO) films forming the semiconductor layers of thin-film transistors (TFTs) are deposited by using ion-assisted electron beam evaporation. Using strontium-oxide-doped semiconductors, the off-state current can be dramatically reduced by three orders of magnitude. This dramatic improvement is attributed to the incorporation of strontium, which suppresses carrier generation, thereby improving the TFT. Additionally, the presence of strontium inhibits the formation of zinc oxide (ZnO) with the hexagonal wurtzite phase and permits the formation of an unusual phase of ZnO, thus significantly changing the surface morphology of ZnO and effectively reducing the trap density of the channel. Project supported by the National Natural Science Foundation of China (Grant No. 6140031454) and the Innovation Program of Chinese Academy of Sciences and State Key Laboratory of Luminescence and Applications.

Effect of Sn doping on structural, mechanical, optical and electrical properties of ZnO nanoarrays prepared by sol-gel and hydrothermal process

NASA Astrophysics Data System (ADS)

Agarwal, Manish Baboo; Sharma, Akash; Malaidurai, M.; Thangavel, R.

2018-05-01

Undoped and Sn doped Zinc oxide nanorods were prepared by two step process: initially growth of seed layers by sol-gel spin coating technique and then zinc oxide nanorods by hydrothermal process using the precursors zinc nitrate hexahydrate, hexamine and tin chloride. The effects on the electrical, optical, mechanical and structural properties for various Sn concentrations were studied. The crystalline phase determination from X-ray diffraction (XRD) confirms that Sn doped ZnO nanorods have hexagonal wurtzite structure. The variations of stress and strain with different doping concentration of Sn in ZnO nanorods were studied. The doping effect on electrical properties and optical bandgap is estimated by current voltage characteristics and absorbance spectra respectively. The surface morphology was studied with field emission scanning electron microscope (FESEM), which shows that the formation of hexagonal nanorods arrays with increasing Sn concentration. The calculated value of Young's modulus of elasticity (Y) for all the samples remains same. These results can be used in optoelectronic devices.

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.

Molecular beam epitaxy-grown wurtzite MgS thin films for solar-blind ultra-violet detection

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

Lai, Y. H.; He, Q. L.; Department of Physics and William Mong Institute of Nano Science and Technology, The Hong Kong University of Science and Technology, HKSAR, People's Republic of China

2013-04-29

Molecular beam epitaxy grown MgS on GaAs(111)B substrate was resulted in wurtzite phase, as demonstrated by detailed structural characterizations. Phenomenological arguments were used to account for why wurtzite phase is preferred over zincblende phase or its most stable rocksalt phase. Results of photoresponse and reflectance measurements performed on wurtzite MgS photodiodes suggest a direct bandgap at around 5.1 eV. Their response peaks at 245 nm with quantum efficiency of 9.9% and enjoys rejection of more than three orders at 320 nm and close to five orders at longer wavelengths, proving the photodiodes highly competitive in solar-blind ultraviolet detection.

Structural and optical properties of CdSe nanosheets

NASA Astrophysics Data System (ADS)

Solanki, Rekha Garg; Rajaram, P.; Arora, Aman

2018-04-01

Nanosheets of CdSe have been synthesized using a solvothermal route using citric acid as an additive. It is found that the citric acid effectively controls the structural and optical properties of CdSe nanostructures. XRD studies confirm the formation of hexagonal wurtzite phase of CdSe. The FESEM micrographs show that the obtained CdSe nanocrystals are in the form of very thin sheets (nanosheets). Optical absorption studies as well as Photoluminescence spectra show that the optical gap is around 1.76 eV which is close to the reported bulk value of 1.74 eV. The prepared CdSe nanosheets because of large surface area may be useful for catalytic activities in medicine, biotechnology and environmental chemistry and in biomedical imaging for in vitro detection of a breast cancer cells.

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.

Room temperature ferromagnetism in Mg-doped ZnO nanoparticles

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

Singh, Jaspal, E-mail: jaspal0314@gmail.com; Vashihth, A.; Gill, Pritampal Singh

Zn{sub 1-x}Mg{sub x}O (x = 0, 0,10) nanoparticles were successfully synthesized using sol-gel method. X-ray diffraction (XRD) confirms that the synthesized nanoparticles possess wurtzite phase having hexagonal structure. Morphological analysis was carried out using transmission electron microscopy (TEM) which depicts the spherical morphology of ZnO nanoparticles. Energy dispersive spectroscopy (EDS) showed the presence of Mg in ZnO nanoparticles. Electron spin resonance (ESR) signal was found to be decreasing with increasing of Mg-doping concentration. The room temperature ferromagnetism was observed in undoped and Mg-doped ZnO nanoparticles. The increase of Mg-doping concentration resulted in decrease of saturation magnetization value which could bemore » attributed to decrease of oxygen vacancies present in host nanoparticles.« less

Structure and morphology of CdS thin films electrodeposited in fused salts

NASA Astrophysics Data System (ADS)

Markov, I.; Valova, E.; Ilieva, M.; Kristev, I.

1983-12-01

Thin films of CdS are catholically electrodeposited on copper and silver electrodes in solution of CdCl 2 and Na 2SO 3 in fused LiCl-KCl eutectic. The films consist only of the hexagonal wurtzite phase of CdS. The films grown on Cu substrates are polycrystalline without pronounced fibre texture. The films grown on Ag substrates show practically perfect (000-) texture exposing the Cd face at the film surface. Films deposited at high bath temperatures (450-500°C), low current densities (0.2-0.5 mA/cm 2) or doped with In during the growth are very smooth. From the morphological investigations it is concluded that the CdS films electrodeposited onto Ag substrates have well pronounced laminar structure.

Synthesis, characterization and antibacterial property of ZnO:Mg nanoparticles

NASA Astrophysics Data System (ADS)

Kompany, A.; Madahi, P.; Shahtahmasbi, N.; Mashreghi, M.

2012-09-01

Sol-gel method was successfully used for the synthesis of ZnO nanoparticles (NPs) doped with different concentrations of Mg and the structural, optical and antibacterial properties of the nanoparticles were studied. The synthesized ZnO:Mg powders were characterized using x-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transformation Infrared (FTIR) and UV-Vis spectroscopy. It was revealed that the samples have hexagonal Wurtzite structure, and the phase segregation takes place for 15% Mg content. TEM images show that the average size of the particles is about 50 nm. Also, the antibacterial activities of the nanoparticles were tested against Escherichia coli (Gram negative) cultures. ZnO:Mg nanofluid showed good antibacterial activity which increases with the increase of NPs concentration, and decreases slightly with the amount of Mg.

Microtribological Mechanisms of Tungsten and Aluminum Nitride Films

NASA Astrophysics Data System (ADS)

Zhao, Hongjian; Mu, Chunyan; Ye, Fuxing

2016-04-01

Microtribology experiments were carried out on the W1- x Al x N films, deposited by radio frequency magnetron reactive sputtering on 304 stainless steel substrates and Si(100). Film wear mechanisms were investigated from the evolution of the friction coefficient and scanning electron microscopy observations. The results show that the WAlN films consist of a mixture of face-centered cubic W(Al)N and hexagonal wurtzite structure AlN phases and the preferred orientation changes from (111) to (200). The film damage after sliding test is mainly attributed to the composition and microstructure of the films. The amount of debris generated by friction is linked to the crack resistance. The better tribological properties for W1- x Al x N films ( x < 0.4) are mainly determined by the higher toughness.

In-Doped ZnO Hexagonal Stepped Nanorods and Nanodisks as Potential Scaffold for Highly-Sensitive Phenyl Hydrazine Chemical Sensors.

PubMed

Umar, Ahmad; Kim, Sang Hoon; Kumar, Rajesh; Al-Assiri, Mohammad S; Al-Salami, A E; Ibrahim, Ahmed A; Baskoutas, Sotirios

2017-11-21

Herein, we report the growth of In-doped ZnO (IZO) nanomaterials, i.e., stepped hexagonal nanorods and nanodisks by the thermal evaporation process using metallic zinc and indium powders in the presence of oxygen. The as-grown IZO nanomaterials were investigated by several techniques in order to examine their morphological, structural, compositional and optical properties. The detailed investigations confirmed that the grown nanomaterials, i.e., nanorods and nanodisks possess well-crystallinity with wurtzite hexagonal phase and grown in high density. The room-temperature PL spectra exhibited a suppressed UV emissions with strong green emissions for both In-doped ZnO nanomaterials, i.e., nanorods and nanodisks. From an application point of view, the grown IZO nanomaterials were used as a potential scaffold to fabricate sensitive phenyl hydrazine chemical sensors based on the I-V technique. The observed sensitivities of the fabricated sensors based on IZO nanorods and nanodisks were 70.43 μA·mM -1 cm -2 and 130.18 μA·mM -1 cm -2 , respectively. For both the fabricated sensors, the experimental detection limit was 0.5 μM, while the linear range was 0.5 μM-5.0 mM. The observed results revealed that the simply grown IZO nanomaterials could efficiently be used to fabricate highly sensitive chemical sensors.

Theoretical investigation of the hyper-Raman scattering in hexagonal semiconductors under two-photon excitation near resonance with the An=2 exciton level

NASA Astrophysics Data System (ADS)

Semenova, L. E.

2018-04-01

The hyper-Raman scattering of light by LO-phonons under two-photon excitation near resonance with the An=2 exciton level in the wurtzite semiconductors A2B6 was theoretically investigated, taking into account the influence of the complex structure of the top valence band.

PHASEGO: A toolkit for automatic calculation and plot of phase diagram

NASA Astrophysics Data System (ADS)

Liu, Zhong-Li

2015-06-01

The PHASEGO package extracts the Helmholtz free energy from the phonon density of states obtained by the first-principles calculations. With the help of equation of states fitting, it reduces the Gibbs free energy as a function of pressure/temperature at fixed temperature/pressure. Based on the quasi-harmonic approximation (QHA), it calculates the possible phase boundaries among all the structures of interest and finally plots the phase diagram automatically. For the single phase analysis, PHASEGO can numerically derive many properties, such as the thermal expansion coefficients, the bulk moduli, the heat capacities, the thermal pressures, the Hugoniot pressure-volume-temperature relations, the Grüneisen parameters, and the Debye temperatures. In order to check its ability of phase transition analysis, I present here two examples: semiconductor GaN and metallic Fe. In the case of GaN, PHASEGO automatically determined and plotted the phase boundaries among the provided zinc blende (ZB), wurtzite (WZ) and rocksalt (RS) structures. In the case of Fe, the results indicate that at high temperature the electronic thermal excitation free energy corrections considerably alter the phase boundaries among the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures.

Structural, morphological, optical and electrical properties of Schottky diodes based on CBD deposited ZnO:Cu nanorods

NASA Astrophysics Data System (ADS)

Mwankemwa, Benard S.; Legodi, Matshisa J.; Mlambo, Mbuso; Nel, Jackie M.; Diale, Mmantsae

2017-07-01

Undoped and copper doped zinc oxide (ZnO) nanorods have been synthesized by a simple chemical bath deposition (CBD) method at a temperature of 90 °C. Structural, morphological, optical and electrical properties of the synthesized ZnO nanorods were found to be dependent on the Cu doping percentage. X-ray diffraction (XRD) patterns revealed strong diffraction peaks of hexagonal wurtzite of ZnO, and no impurity phases from metallic zinc or copper. Scanning electron microscopy (SEM) images showed changes in diameter and shape of nanorods, where by those doped with 2 at.% and 3 at.% aggregated and became compact. Selected area electron diffraction (SAED) patterns indicates high quality, single crystalline wurtzite structure ZnO and intensities of bright spots varied with copper doping concentration. UV-visible absorption peaks of ZnO red shifted with increasing copper doping concentration. Raman studies demonstrated among others, strong and sharp E2 (low) and E2 (high) optical phonon peaks confirming crystal structure of ZnO. Current-voltage measurements based on the gold/ZnO nanorods/ITO showed good rectifying behavior of the Schottky diode. The predicted Schottky barrier height of 0.60 eV was obtained which is not far from the theoretical Schottky-Mott value of 0.80 eV.

Ergonomic Synthesis Suitable for Industrial Production of Silver-Festooned Zinc Oxide Nanorods

NASA Astrophysics Data System (ADS)

Khan, G. R.; Khan, R. A.

2015-07-01

For maximizing productivity, minimizing cost, time-boxing process and optimizing human effort, a single-step, cost-effective, ultra-fast and environmentally benign synthesis suitable for industrial production of nanocrystalline ZnO, and Ag-doped ZnO has been reported in this paper. The synthesis based on microwave-supported aqueous solution method used zinc acetate dehydrate and silver nitrate as precursors for fabrication of nanorods. The synthesized products were characterized by X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy and UV-Vis-NIR spectroscopy. The undoped and Ag-doped ZnO nanorods crystallized in a hexagonal wurtzite structure having spindle-like morphology. The blue shift occurred at absorption edge of Ag-doped ZnO around 260 nm compared to 365 nm of bulk ZnO. The red shift occurred at Raman peak site of 434 cm-1 compared to characteristic wurtzite phase peak of ZnO (437 cm-1). The bandgap energies were found to be 3.10 eV, 3.11 eV and 3.18 eV for undoped, 1% Ag-doped, and 3% Ag-doped ZnO samples, respectively. The TEM results provided average particle sizes of 17 nm, 15 nm and 13 nm for undoped, and 1% and 3% Ag-doped ZnO samples, respectively.

Synthesis of ZnO Photocatalysts Using Various Surfactants

NASA Astrophysics Data System (ADS)

Yao, Chengli; Zhu, Jinmiao; Li, Hongying; Zheng, Bin; Wei, Yanxin

2017-12-01

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 owed to its morphology and defect structure. ZnO particles were successfully synthesized by chemical precipitation. CTAB (cetyltrimethylammonium bromide), BS-12 (dodecyl dimethyl betaine) and graphene oxide (GO) were selected as templates to induce the formation of ZnO, respectively. By varying the amount of surfactant added during the synthesis process, the structural properties and the crystalline phase of the synthesized nanospheres were characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), ultraviolet and visible spectrophotometry (UV‒Vis). Simultaneously, photo catalytic degradation of Rhodamine B (RhB) was carried out under natural sunlight irradiation while ZnO or ZnO/GO particles were used as catalyst. GO is prone to induce formation of wurtzite hexagonal phase of ZnO. Compared with CTAB and BS-12, ZnO/GO composites had a remarkably photocatalytic degradation.

Hydrothermal-electrochemical growth of heterogeneous ZnO: Co films

NASA Astrophysics Data System (ADS)

Yilmaz, Ceren; Unal, Ugur

2017-10-01

This study demonstrates the preparation of heterogeneous ZnO: Co nanostructures via hydrothermal-electrochemical deposition at 130 °C and -1.1 V (vs Ag/AgCl (satd)) in dimethyl sulfoxide (DMSO)-H2O mixture. Under the stated conditions, ZnO: Co nanostructures grow preferentially along (002) direction. Strength of directional growth progressively increases with the increasing concentration of Co(II) in the deposition bath. Films are composed of hexagonal Wurtzite ZnO, metallic cobalt, and mixed cobalt oxide on the surface and cobalt(II) oxide in deeper levels. Increasing the Co(II) concentration in the deposition bath results in different morphological features as well as phase separation. Platelets, sponge-like structures, cobalt-rich spheres, microislands of cobalt-rich spheres which are interconnected by ZnO network can be synthesized by adjusting [Co(II)]: [Zn(II)] ratio. Growth mechanisms giving rise to these particular structures, surface morphology, crystal structure, phase purity, chemical binding characteristics, and optical properties of the deposits are discussed in detail.

Fabrication of ZnO nanoparticles based sensitive methanol sensor and efficient photocatalyst

NASA Astrophysics Data System (ADS)

Faisal, M.; Khan, Sher Bahadar; Rahman, Mohammed M.; Jamal, Aslam; Abdullah, M. M.

2012-07-01

ZnO nanoparticles (NPs) were prepared by hydrothermal treatment with starting materials (zinc chloride and urea) in the presence of ammonium hydroxide and characterized by powder X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy and UV-vis spectroscopy. The synthesized nanoparticles are crystalline with wurtzite hexagonal phase having average particle size in the range of 80-130 nm. Photocatalytic activity of the prepared ZnO NPs was evaluated by the degradation of methylene blue and almost complete degradation (91.0%) takes place within 85 min of irradiation time. Prepared ZnO nanostructures possessed high photocatalytic activity when compared with TiO2-UV100. Additionally, the sensing properties of the ZnO films were investigated for various concentrations of methanol in liquid phase by simple I-V technique at room conditions. It was observed that ZnO thin film exhibits good sensitivity (0.9554 μA cm-2 mM-1) towards detection of methanol at room conditions.

Effect of thermal treatment on Zn nanodisks

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

Acuña-Avila, Pedro E., E-mail: pacunaa004@alumno.uaemex.mx; López, Roberto; Vigueras-Santiago, Enrique

2015-06-15

Metallic Zn nanodisks with hexagonal morphology were obtained onto glass substrate under vacuum thermal evaporation. A thermal characterization of Zn nanodiks showed a lower oxidation temperature than source powder Zn. Different thermal treatment on Zn nanodisks played an important role on the morphology, crystal size and surface vibrational modes of ZnO. The growth of ZnO nanoneedles started at the edge of metallic zinc hexagonal structures according with SEM images, the higher temperature the longer needles were grown. XRD diffractogram confirmed the wurtzite structure of ZnO with metallic nuclei. A wide band between 530 and 580 cm{sup −1} of Raman scatteringmore » corresponded at surface vibrational modes not observed at higher temperature.« less

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.

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

Mohammad, Sabah M., E-mail: Sabahaskari14@gmail.com; Ahmed, Naser M.; Abd-Alghafour, Nabeel M.

Vertically, well-aligned and high density ZnO nanorods were successfully hydrothermally grown on glass and silicon substrates using a simple and low cost system. The mechanism of synthesis of ZnO nanorods, generated with our system under hydrothermal conditions, is investigated in this report. Field-emission scanning electron microscopy indicated that the fabricated ZnO nanorods on both substrates have hexagonal shape with diameters ranging from 20 nm to 70 nm which grew vertically from the substrate. XRD analysis confirms the formation of wurtzite ZnO phase with a preferred orientation along (002) direction perpendicular on the substrate and enhanced crystallinity. The low value ofmore » the tensile strain (0.126 %) revealed that ZnO nanorods preferred to grow along the c-axis for both substrates. Photoluminescence spectra exhibited a strong, sharp UV near band edge emission peak with narrow FWHM values for both samples.« less

Unit cell parameters of wurtzite InP nanowires determined by x-ray diffraction.

PubMed

Kriegner, D; Wintersberger, E; Kawaguchi, K; Wallentin, J; Borgström, M T; Stangl, J

2011-10-21

High resolution x-ray diffraction is used to study the structural properties of the wurtzite polytype of InP nanowires. Wurtzite InP nanowires are grown by metal-organic vapor phase epitaxy using S-doping. From the evaluation of the Bragg peak position we determine the lattice parameters of the wurtzite InP nanowires. The unit cell dimensions are found to differ from the ones expected from geometric conversion of the cubic bulk InP lattice constant. The atomic distances along the c direction are increased whereas the atomic spacing in the a direction is reduced in comparison to the corresponding distances in the zinc-blende phase. Using core/shell nanowires with a thin core and thick nominally intrinsic shells we are able to determine the lattice parameters of wurtzite InP with a negligible influence of the S-doping due to the much larger volume in the shell. The determined material properties will enable the ab initio calculation of electronic and optical properties of wurtzite InP nanowires.

Pressure induced phase transition in CdTe nanowire: A DFT study

NASA Astrophysics Data System (ADS)

Bhatia, Manjeet; Khan, Md. Shahzad; Srivastava, Anurag

2018-05-01

We have studied structural phase transition and electronic properties of CdTe nanowires in their wurtzite (B4) to rocksalt (B1) phase by first principles density functional calculations using SIESTA code. Nanowires are derived from wurtzite and rocksalt phase of bulk CdTe with growth direction along 100 planes. We observed structural phase transition from B4→B1 at 4.79 GPa. Wurtzite structure is found to have band gap 2.30 eV while rocksalt is metallic in nature. Our calculated lattice constant (4.55 Å for B4 and 5.84 Å for B1), transition pressure (4.79 GPa) and electronic structure results are in close agreement with the previous calculations on bulk and nanostructures.

Direct Band Gap Wurtzite Gallium Phosphide Nanowires

PubMed Central

2013-01-01

The main challenge for light-emitting diodes is to increase the efficiency in the green part of the spectrum. Gallium phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the green emission efficiency. Band structure calculations have predicted a direct band gap for wurtzite GaP. Here, we report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong photoluminescence at a wavelength of 594 nm with short lifetime, typical for a direct band gap. Furthermore, by incorporation of aluminum or arsenic in the GaP nanowires, the emitted wavelength is tuned across an important range of the visible light spectrum (555–690 nm). This approach of crystal structure engineering enables new pathways to tailor materials properties enhancing the functionality. PMID:23464761

Correct implementation of polarization constants in wurtzite materials and impact on III-nitrides

DOE PAGES

Dreyer, Cyrus E.; Janotti, Anderson; Van de Walle, Chris G.; ...

2016-06-20

Here, accurate values for polarization discontinuities between pyroelectric materials are critical for understanding and designing the electronic properties of heterostructures. For wurtzite materials, the zincblende structure has been used in the literature as a reference to determine the effective spontaneous polarization constants. We show that, because the zincblende structure has a nonzero formal polarization, this method results in a spurious contribution to the spontaneous polarization differences between materials. In addition, we address the correct choice of "improper" versus "proper" piezoelectric constants. For the technologically important III-nitride materials GaN, AlN, and InN, we determine polarization discontinuities using a consistent reference basedmore » on the layered hexagonal structure and the correct choice of piezoelectric constants, and discuss the results in light of available experimental data.« less

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.

Electron paramagnetic resonance in Cu-doped ZnO

NASA Astrophysics Data System (ADS)

Buchheit, R.; Acosta-Humánez, F.; Almanza, O.

2016-04-01

In this work, ZnO and Cu-doped ZnO nanoparticles (Zn1-xCuxO, x = 3%), with a calcination temperature of 500∘C were synthesized using the sol-gel method. The particles were analyzed using atomic absorption spectroscopy (AAS), X-ray diffraction (XRD) and electron paramagnetic resonance (EPR) at X-band, measurement in a temperature range from 90 K to room temperature. AAS confirmed a good correspondence between the experimental doping concentration and the theoretical value. XRD reveals the presence of ZnO phase in hexagonal wurtzite structure and a nanoparticle size for the samples synthesized. EPR spectroscopy shows the presence of point defects in both samples with g-values of g = 1.959 for shallow donors and g = 2.004 for ionized vacancies. It is important when these materials are required have been used as catalysts, as suggested that it is not necessary prepare them at higher temperature. A simulation of the Cu EPR signal using an anisotropic spin Hamiltonian was performed and showed good coincidence with the experimental spectra. It was shown that Cu2+ ions enter interstitial octahedral sites of orthorhombic symmetry in the wurtzite crystal structure. Temperature dependence of the EPR linewidth and signal intensity shows a paramagnetic behavior of the sample in the measurement range. A Néel temperature TN = 78 ± 19 K was determined.

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

Han,W.Q.

Boron nitride (BN) is a synthetic binary compound located between III and V group elements in the Periodic Table. However, its properties, in terms of polymorphism and mechanical characteristics, are rather close to those of carbon compared with other III-V compounds, such as gallium nitride. BN crystallizes into a layered or a tetrahedrally linked structure, like those of graphite and diamond, respectively, depending on the conditions of its preparation, especially the pressure applied. Such correspondence between BN and carbon readily can be understood from their isoelectronic structures [1, 2]. On the other hand, in contrast to graphite, layered BN ismore » transparent and is an insulator. This material has attracted great interest because, similar to carbon, it exists in various polymorphic forms exhibiting very different properties; however, these forms do not correspond strictly to those of carbon. Crystallographically, BN is classified into four polymorphic forms: Hexagonal BN (h-BN) (Figure 1(b)); rhombohedral BN (r-BN); cubic BN (c-BN); and wurtzite BN (w-BN). BN does not occur in nature. In 1842, Balmain [3] obtained BN as a reaction product between molten boric oxide and potassium cyanide under atmospheric pressure. Thereafter, many methods for its synthesis were reported. h-BN and r-BN are formed under ambient pressure. c-BN is synthesized from h-BN under high pressure at high temperature while w-BN is prepared from h-BN under high pressure at room temperature [1]. Each BN layer consists of stacks of hexagonal plate-like units of boron and nitrogen atoms linked by SP{sup 2} hybridized orbits and held together mainly by Van der Waals force (Fig 1(b)). The hexagonal polymorph has two-layered repeating units: AA'AA'... that differ from those in graphite: ABAB... (Figure 1(a)). Within the layers of h-BN there is coincidence between the same phases of the hexagons, although the boron atoms and nitrogen atoms are alternatively located along the c-axis. The rhombohedral system consists of three-layered units: ABCABC..., whose honeycomb layers are arranged in a shifted phase, like as those of graphite. Reflecting its weak interlayer bond, the h-BN can be cleaved easily along its layers, and hence, is widely used as a lubricant material. The material is stable up to a high temperature of 2300 C before decomposition sets in [2] does not fuse a nitrogen atmosphere of 1 atm, and thus, is applicable as a refractory material. Besides having such properties, similar to those of graphite, the material is transparent, and acts as a good electric insulator, especially at high temperatures (10{sup 6} {Omega}m at 1000 C) [1]. c-BN and w-BN are tetrahedrally linked BN. The former has a cubic sphalerite-type structure, and the latter has a hexagonal wurtzite-type structure. c-BN is the second hardest known material (the hardest is diamond), the so-called white diamond. It is used mainly for grinding and cutting industrial ferrous materials because it does not react with molten iron, nickel, and related alloys at high temperatures whereas diamond does [1]. It displays the second highest thermal conductivity (6-9 W/cm.deg) after diamond. This chapter focuses principally upon information about h-BN nanomaterials, mainly BN nanotubes (BNNTs), porous BN, mono- and few-layer-BN sheets. There are good reviews book chapters about c-BN in [1, 4-6].« less

The Strength of Binary Junctions in Hexagonal Close-Packed Crystals

DTIC Science & Technology

2014-03-01

equilib- rium, on either slip plane, the dislocation on that plane intersects both triple points at the same angle with the junc- tion line, regardless...electronic properties of threading dislocations in wide band-gap gallium nitride (a wurtzite crystal structure consisting of two interpenetrating hcp...yield surface was composed of individual points , it pro- vided insight on the resistance of the lock to breaking as a result of the applied stresses. Via

Pressure dependence of the refractive index in wurtzite and rocksalt indium nitride

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

Oliva, R.; MALTA-Consolider Team, Departament de Física Aplicada, ICMUV, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot, València; Segura, A.

2014-12-08

We have performed high-pressure Fourier transform infrared reflectance measurements on a freestanding InN thin film to determine the refractive index of wurtzite InN and its high-pressure rocksalt phase as a function of hydrostatic pressure. From a fit to the experimental refractive-index curves including the effect of the high-energy optical gaps, phonons, free carriers, and the direct (fundamental) band-gap in the case of wurtzite InN, we obtain pressure coefficients for the low-frequency (electronic) dielectric constant ε{sub ∞}. Negative pressure coefficients of −8.8 × 10{sup −2 }GPa{sup −1} and −14.8 × 10{sup −2 }GPa{sup −1} are obtained for the wurtzite and rocksalt phases, respectively. The results are discussedmore » in terms of the electronic band structure and the compressibility of both phases.« less

Green synthesis of ZnO nanoparticles via complex formation by using Curcuma longa extract

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

Fatimah, Is, E-mail: isfatimah@uii.ac.id; Yudha, Septian P.; Mutiara, Nur Afisa Lintang

Synthesis of ZnO nanoparticles(NPs) were conducted via Zn(II) complex formation by using Curcuma longa extract as template. Curcuma longa extract has the ability to form zinc ions complex with curcumin as ligating agent. Study on synthesis was conducted by monitoring thermal degradation of the material. Successful formation of zinc oxide nanoparticles was confirmed by employing x-ray diffraction, surface area analysis and transmission electron microscopy(TEM) studies. From the XRD analysis it is denoted that ZnO in hexagonal wurtzite phase was formed and particle size was varied as varied temperature. The data are also confirmed by TEM analysis which shows the particlemore » sie at the range 20-80nm. The NPs exhibited excelent photocatalytic activity for methylene blue degradation and also significant antibacterial activity for Eschericia coli. The activity in methylene blue degradation was also confirmed from fast chemical oxygen demand (COD) reduction.« less

Optical sensor based on a single CdS nanobelt.

PubMed

Li, Lei; Yang, Shuming; Han, Feng; Wang, Liangjun; Zhang, Xiaotong; Jiang, Zhuangde; Pan, Anlian

2014-04-23

In this paper, an optical sensor based on a cadmium sulfide (CdS) nanobelt has been developed. The CdS nanobelt was synthesized by the vapor phase transportation (VPT) method. X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM) results revealed that the nanobelt had a hexagonal wurtzite structure of CdS and presented good crystal quality. A single nanobelt Schottky contact optical sensor was fabricated by the electron beam lithography (EBL) technique, and the device current-voltage results showed back-to-back Schottky diode characteristics. The photosensitivity, dark current and the decay time of the sensor were 4 × 10⁴, 31 ms and 0.2 pA, respectively. The high photosensitivity and the short decay time were because of the exponential dependence of photocurrent on the number of the surface charges and the configuration of the back to back Schottky junctions.

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.

Lattice distortions in GaN on sapphire using the CBED-HOLZ technique.

PubMed

Sridhara Rao, D V; McLaughlin, K; Kappers, M J; Humphreys, C J

2009-09-01

The convergent beam electron diffraction (CBED) methodology was developed to investigate the lattice distortions in wurtzite gallium nitride (GaN) from a single zone-axis pattern. The methodology enabled quantitative measurements of lattice distortions (alpha, beta, gamma and c) in transmission electron microscope (TEM) specimens of a GaN film grown on (0,0,0,1) sapphire by metal-organic vapour-phase epitaxy. The CBED patterns were obtained at different distances from the GaN/sapphire interface. The results show that GaN is triclinic above the interface with an increased lattice parameter c. At 0.85 microm from the interface, alpha=90 degrees , beta=8905 degrees and gamma=11966 degrees . The GaN lattice relaxes steadily back to hexagonal further away from the sapphire substrate. The GaN distortions are mainly confined to the initial stages of growth involving the growth and the coalescence of 3D GaN islands.

Compositional and structural properties of pulsed laser-deposited ZnS:Cr films

NASA Astrophysics Data System (ADS)

Nematollahi, Mohammadreza; Yang, Xiaodong; Seim, Eivind; Vullum, Per Erik; Holmestad, Randi; Gibson, Ursula J.; Reenaas, Turid W.

2016-02-01

We present the properties of Cr-doped zinc sulfide (ZnS:Cr) films deposited on Si(100) by pulsed laser deposition. The films are studied for solar cell applications, and to obtain a high absorption, a high Cr content (2.0-5.0 at.%) is used. It is determined by energy-dispersive X-ray spectroscopy that Cr is relatively uniformly distributed, and that local Cr increases correspond to Zn decreases. The results indicate that most Cr atoms substitute Zn sites. Consistently, electron energy loss and X-ray photoelectron spectroscopy showed that the films contain mainly Cr2+ ions. Structural analysis showed that the films are polycrystalline and textured. The films with ~4 % Cr are mainly grown along the hexagonal [001] direction in wurtzite phase. The average lateral grain size decreases with increasing Cr content, and at a given Cr content, increases with increasing growth temperature.

Green synthesis of ZnO nanoparticles via complex formation by using Curcuma longa extract

NASA Astrophysics Data System (ADS)

Fatimah, Is; Yudha, Septian P.; Mutiara, Nur Afisa Lintang

2016-02-01

Synthesis of ZnO nanoparticles(NPs) were conducted via Zn(II) complex formation by using Curcuma longa extract as template. Curcuma longa extract has the ability to form zinc ions complex with curcumin as ligating agent. Study on synthesis was conducted by monitoring thermal degradation of the material. Successful formation of zinc oxide nanoparticles was confirmed by employing x-ray diffraction, surface area analysis and transmission electron microscopy(TEM) studies. From the XRD analysis it is denoted that ZnO in hexagonal wurtzite phase was formed and particle size was varied as varied temperature. The data are also confirmed by TEM analysis which shows the particle sie at the range 20-80nm. The NPs exhibited excelent photocatalytic activity for methylene blue degradation and also significant antibacterial activity for Eschericia coli. The activity in methylene blue degradation was also confirmed from fast chemical oxygen demand (COD) reduction.

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

Electronic and structural characteristics of zinc-blende wurtzite biphasic homostructure GaN nanowires

DOE PAGES

Jacobs, Benjamin W.; Ayres, Virginia M.; Petkov, Mihail P.; ...

2007-04-07

Here, we report a new biphasic crystalline wurtzite/zinc-blende homostructure in gallium nitride nanowires. Cathodoluminescence was used to quantitatively measure the wurtzite and zinc-blende band gaps. High-resolution transmission electron microscopy was used to identify distinct wurtzite and zinc-blende crystalline phases within single nanowires through the use of selected area electron diffraction, electron dispersive spectroscopy, electron energy loss spectroscopy, and fast Fourier transform techniques. A mechanism for growth is identified.

Electronic and structural characteristics of zinc-blende wurtzite biphasic homostructure GaN nanowires.

PubMed

Jacobs, Benjamin W; Ayres, Virginia M; Petkov, Mihail P; Halpern, Joshua B; He, Maoqi; Baczewski, Andrew D; McElroy, Kaylee; Crimp, Martin A; Zhang, Jiaming; Shaw, Harry C

2007-05-01

We report a new biphasic crystalline wurtzite/zinc-blende homostructure in gallium nitride nanowires. Cathodoluminescence was used to quantitatively measure the wurtzite and zinc-blende band gaps. High-resolution transmission electron microscopy was used to identify distinct wurtzite and zinc-blende crystalline phases within single nanowires through the use of selected area electron diffraction, electron dispersive spectroscopy, electron energy loss spectroscopy, and fast Fourier transform techniques. A mechanism for growth is identified.

Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

DOE PAGES

Almeida, S.; Chavez, J. J.; Zhou, X. W.; ...

2016-02-10

CdS homoepitaxy growth was performed by molecular dynamics using different substrate orientations and structures in order to analyze the CdS crystallinity. As anticipated from thermodynamics of homoepitaxy, highly crystalline films with only point defects were obtained on substrates with rectangular surface geometries, including View the MathML source[112¯] zinc blende (ZB), [101¯0] wurtzite (WZ), [112¯0] WZ, [110][110] ZB, [010][010] ZB, and View the MathML source[1101110] ZB. In contrast, films grown on substrates with hexagonal surface geometries, corresponding to the [0001][0001] WZ and [111][111] ZB growth directions, showed structures with a large number of defects including; anti-sites, vacancies, stacking faults, twinning, andmore » polytypism. WZ and ZB transitions and grain boundaries are identified using a lattice identification algorithm and represented graphically in a structural map. A dislocation analysis was performed to detect, identify, and quantify linear defects within the atomistic data. Systematic simulations using different temperatures, deposition rates, and substrate polarities were perform to analyze the trends of dislocation densities on [0001][0001] WZ direction and showed persistent polytypism. As a result, the polytypism observed in the films grown on the substrates with hexagonal surface geometry is attributed to the similar formation energies of the WZ and ZB phases.« less

Investigations on structural, vibrational, morphological and optical properties of CdS and CdS/Co films by ultrasonic spray pyrolysis

NASA Astrophysics Data System (ADS)

Aksay, S.; Polat, M.; Özer, T.; Köse, S.; Gürbüz, G.

2011-09-01

CdS and CdS/Co films have been deposited on glass substrates by an ultrasonic spray pyrolysis method. The effects of Co incorporation on the structural, optical, morphological, elemental and vibrational properties of these films were investigated. XRD analysis confirmed the hexagonal wurtzite structure of all films and had no impurity phase. While CdS film has (0 0 2) as the preferred orientation, CdS/Co films have (1 1 0) as the preferred orientation. The direct optical band gap was found to decrease from 2.42 to 2.39 eV by Co incorporation. The decrease of the direct energy gaps by increasing Co contents is mainly due to the sp-d exchange interaction between the localized d-electrons of Co2+ ions and band electrons of CdS. After the optical investigations, it was seen that the transmittance of CdS films decreased by Co content. The Raman measurements revealed two peaks corresponding to the 1LO and 2LO modes of hexagonal CdS. The vibrational modes of Cd-S were obtained in the wavenumber range (590-715 cm-1) using Fourier transform infrared spectroscopy (FTIR). The elemental analysis of the film was done by energy dispersive X-ray spectrometry.

Substrate nitridation induced modulations in transport properties of wurtzite GaN/p-Si (100) heterojunctions grown by molecular beam epitaxy

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

Bhat, Thirumaleshwara N.; Rajpalke, Mohana K.; Krupanidhi, S. B.

Phase pure wurtzite GaN films were grown on Si (100) substrates by introducing a silicon nitride layer followed by low temperature GaN growth as buffer layers. GaN films grown directly on Si (100) were found to be phase mixtured, containing both cubic ({beta}) and hexagonal ({alpha}) modifications. The x-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL) spectroscopy studies reveal that the significant enhancement in the structural as well as in the optical properties of GaN films grown with silicon nitride buffer layer grown at 800 deg. C when compared to the samples grown in the absence of silicon nitridemore » buffer layer and with silicon nitride buffer layer grown at 600 deg. C. Core-level photoelectron spectroscopy of Si{sub x}N{sub y} layers reveals the sources for superior qualities of GaN epilayers grown with the high temperature substrate nitridation process. The discussion has been carried out on the typical inverted rectification behavior exhibited by n-GaN/p-Si heterojunctions. Considerable modulation in the transport mechanism was observed with the nitridation conditions. The heterojunction fabricated with the sample of substrate nitridation at high temperature exhibited superior rectifying nature with reduced trap concentrations. Lowest ideality factors ({approx}1.5) were observed in the heterojunctions grown with high temperature substrate nitridation which is attributed to the recombination tunneling at the space charge region transport mechanism at lower voltages and at higher voltages space charge limited current conduction is the dominating transport mechanism. Whereas, thermally generated carrier tunneling and recombination tunneling are the dominating transport mechanisms in the heterojunctions grown without substrate nitridation and low temperature substrate nitridation, respectively.« less

Understanding the Growth Mechanism of GaN Epitaxial Layers on Mechanically Exfoliated Graphite

NASA Astrophysics Data System (ADS)

Li, Tianbao; Liu, Chenyang; Zhang, Zhe; Yu, Bin; Dong, Hailiang; Jia, Wei; Jia, Zhigang; Yu, Chunyan; Gan, Lin; Xu, Bingshe; Jiang, Haiwei

2018-04-01

The growth mechanism of GaN epitaxial layers on mechanically exfoliated graphite is explained in detail based on classic nucleation theory. The number of defects on the graphite surface can be increased via O-plasma treatment, leading to increased nucleation density on the graphite surface. The addition of elemental Al can effectively improve the nucleation rate, which can promote the formation of dense nucleation layers and the lateral growth of GaN epitaxial layers. The surface morphologies of the nucleation layers, annealed layers and epitaxial layers were characterized by field-emission scanning electron microscopy, where the evolution of the surface morphology coincided with a 3D-to-2D growth mechanism. High-resolution transmission electron microscopy was used to characterize the microstructure of GaN. Fast Fourier transform diffraction patterns showed that cubic phase (zinc-blend structure) GaN grains were obtained using conventional GaN nucleation layers, while the hexagonal phase (wurtzite structure) GaN films were formed using AlGaN nucleation layers. Our work opens new avenues for using highly oriented pyrolytic graphite as a substrate to fabricate transferable optoelectronic devices.

Understanding the Growth Mechanism of GaN Epitaxial Layers on Mechanically Exfoliated Graphite.

PubMed

Li, Tianbao; Liu, Chenyang; Zhang, Zhe; Yu, Bin; Dong, Hailiang; Jia, Wei; Jia, Zhigang; Yu, Chunyan; Gan, Lin; Xu, Bingshe; Jiang, Haiwei

2018-04-27

The growth mechanism of GaN epitaxial layers on mechanically exfoliated graphite is explained in detail based on classic nucleation theory. The number of defects on the graphite surface can be increased via O-plasma treatment, leading to increased nucleation density on the graphite surface. The addition of elemental Al can effectively improve the nucleation rate, which can promote the formation of dense nucleation layers and the lateral growth of GaN epitaxial layers. The surface morphologies of the nucleation layers, annealed layers and epitaxial layers were characterized by field-emission scanning electron microscopy, where the evolution of the surface morphology coincided with a 3D-to-2D growth mechanism. High-resolution transmission electron microscopy was used to characterize the microstructure of GaN. Fast Fourier transform diffraction patterns showed that cubic phase (zinc-blend structure) GaN grains were obtained using conventional GaN nucleation layers, while the hexagonal phase (wurtzite structure) GaN films were formed using AlGaN nucleation layers. Our work opens new avenues for using highly oriented pyrolytic graphite as a substrate to fabricate transferable optoelectronic devices.

Effect of sintering temperature on the microstructure, electrical and magnetic properties of Zn0.98 Mn0.02O material

NASA Astrophysics Data System (ADS)

Sebayang, K.; Aryanto, D.; Simbolon, S.; Kurniawan, C.; Hulu, S. F.; Sudiro, T.; Ginting, M.; Sebayang, P.

2018-02-01

Zn0.98Mn0.02O material was synthesized from ZnO and MnO2 powders using solid state reaction method. The microstructure, electrical and magnetic properties of Zn0.98Mn0.02O were studied as a function of sintering temperature. The X-ray diffraction analysis indicates that the main phase of synthesized sample is composed of hexagonal wurtzite ZnO phase. While the secondary phase of ZnMnO3 were found at the sintering temperature of 700°C and 900°C. The electrical properties measurement of Zn0.98Mn0.02O sample revealed that the resistivity and the dielectric constant of samples increase with the increase of sintering temperature. The ferromagnetic properties at room temperature were observed in the Zn0.98Mn0.02O samples sintered at 500°C and 700°C. It also found that the increase in sintering temperature leads to a tendency toward the changes in the magnetic properties into paramagnetic. The presence of ZnMnO3 secondary phases in Zn0.98Mn0.02O system is believed to be a factor that affects the decrease of the electrical and magnetic properties of the sample.

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

Hannachi, Amira, E-mail: amira.hannachi88@gmail.com; Maghraoui-Meherzi, Hager

Manganese sulfide thin films have been deposited on glass slides by chemical bath deposition (CBD) method. The effects of preparative parameters such as deposition time, bath temperature, concentration of precursors, multi-layer deposition, different source of manganese, different complexing agent and thermal annealing on structural and morphological film properties have been investigated. The prepared thin films have been characterized using the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). It exhibit the metastable forms of MnS, the hexagonal γ-MnS wurtzite phase with preferential orientation in the (002) plane or the cubic β-MnS zinc blende with preferentialmore » orientation in the (200) plane. Microstructural studies revealed the formation of MnS crystals with different morphologies, such as hexagons, spheres, cubes or flowers like. - Graphical Abstract: We report the preparation of different phases of manganese sulfide thin films (γ, β and α-MnS) by chemical bath deposition method. The effects of deposition parameters such as deposition time and temperature, concentrations of precursors and multi-layer deposition on MnS thin films structure and morphology were investigated. The influence of thermal annealing under nitrogen atmosphere at different temperature on MnS properties was also studied. Different manganese precursors as well as different complexing agent were also used. - Highlights: • γ and β-MnS films were deposited on substrate using the chemical bath deposition. • The effect of deposition parameters on MnS film properties has been investigated. • Multi-layer deposition was also studied to increase film thickness. • The effect of annealing under N{sub 2} at different temperature was investigated.« less

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

Piezoelectric domains in the AlGaN hexagonal microrods: Effect of crystal orientations

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

Sivadasan, A. K., E-mail: sivankondazhy@gmail.com, E-mail: gm@igcar.gov.in, E-mail: dhara@igcar.gov.in; Dhara, Sandip, E-mail: sivankondazhy@gmail.com, E-mail: gm@igcar.gov.in, E-mail: dhara@igcar.gov.in; Mangamma, G., E-mail: sivankondazhy@gmail.com, E-mail: gm@igcar.gov.in, E-mail: dhara@igcar.gov.in

2016-05-07

Presently, the piezoelectric materials are finding tremendous applications in the micro-mechanical actuators, sensors, and self-powered devices. In this context, the studies pertaining to piezoelectric properties of materials in the different size ranges are very important for the scientific community. The III-nitrides are exceptionally important, not only for optoelectronic but also for their piezoelectric applications. In the present study, we synthesized AlGaN via self-catalytic vapor-solid mechanism by atmospheric pressure chemical vapor deposition technique on AlN base layer over intrinsic Si(100) substrate. The growth process is substantiated using X-ray diffraction and X-ray photoelectron spectroscopy. The Raman and photoluminescence studies reveal the formationmore » of AlGaN microrods in the wurtzite phase and ensure the high optical quality of the crystalline material. The single crystalline, direct wide band gap and hexagonally shaped AlGaN microrods are studied for understanding the behavior of the crystallites under the application of constant external electric field using the piezoresponse force microscopy. The present study is mainly focused on understanding the behavior of induced polarization for the determination of piezoelectric coefficient of AlGaN microrod along the c-axis and imaging of piezoelectric domains in the sample originating because of the angular inclination of AlGaN microrods with respect to its AlN base layers.« less

Thermal conductivity of wurtzite and zinc blende cubic phases of BeO from ab initio calculations

NASA Astrophysics Data System (ADS)

Malakkal, Linu; Szpunar, Barbara; Siripurapu, Ravi Kiran; Zuniga, Juan Carlos; Szpunar, Jerzy A.

2017-03-01

The structural, mechanical, thermal and thermodynamic properties of Beryllium oxide (BeO) in the zinc blende (ZB) and wurtzite (WZ) form have been calculated using the density functional theory (DFT) in the general gradient approximation (GGA). The ground state structural and elastic properties of wurtzite BeO (w-BeO) is calculated using the new GGA ultrasoft pseudopotentials for solids (pbesol); the simulated results have shown excellent agreement with the experiments. The thermodynamic properties are studied using quasi-harmonic approximation (QHA), and the predicted properties agree well for the WZ phase for which the experimental data are available, while for ZB phase it remains to be validated with future experiments. Both Boltzmann transport equation (BTE) and Slack model were used to calculate the lattice thermal conductivity of wurtzite BeO (w-BeO). Furthermore, the thermal conductivity along the crystallographic 'a' and 'c' axis of wurtzite BeO is investigated using BTE. Our calculation of w-BeO agrees well with the available experimental measurements. Apart from these studies on w-BeO, we have also compared the mechanical, structural and phonon dispersions of z-BeO with previously reported theoretical studies. Additionally we report the volume thermal expansion and the heat capacity at constant pressure of z-BeO for the first time and the bulk thermal conductivity of zinc blende BeO (z-BeO) using BTE.

Compositional dependence of optical and electrical properties of indium doped zinc oxide (IZO) thin films deposited by chemical spray pyrolysis

NASA Astrophysics Data System (ADS)

Dintle, Lawrence K.; Luhanga, Pearson V. C.; Moditswe, Charles; Muiva, Cosmas M.

2018-05-01

The structural and optoelectronic properties of undoped and indium doped zinc oxide (IZO) thin films grown on glass substrates through a simple reproducible custom-made pneumatic chemical spray pyrolysis technique are presented. X-ray diffraction (XRD) results showed a polycrystalline structure of hexagonal wurtzite phase growing preferentially along the (002) plane for the undoped sample. Increase in dopant content modified the orientation leading to more pronounced (100) and (101) reflections. Optical transmission spectra showed high transmittance of 80-90% in the visible range for all thin films. The optical band gap energy (Eg) was evaluated on the basis of the derivative of transmittance (dT/dλ) versus wavelength (λ) model and Tauc's extrapolation method in the region where the absorption coefficient, α ≥ 104 cm-1. The observed values of Eg were found to decrease generally with increasing In dopant concentration. From the figure of merit calculations a sample with 4 at.% In dopant concentration showed better optoelectronic properties.

Effects of Na Doping on Structural, Optical, and Electronic Properties of ZnO Thin Films Fabricated by Sol-Gel Technique

NASA Astrophysics Data System (ADS)

Fan, Heliang; Yao, Zhen; Xu, Cheng; Wang, Xinqiang; Yu, Zhichao

2018-04-01

Undoped and Na-doped ZnO thin films were fabricated by sol-gel technique on quartz glass substrates and annealed at 500°C for 1 h. The structural properties of the films were characterized using x-ray diffraction analysis, which revealed hexagonal wurtzite structure with no peaks corresponding to Na2O or other Na phases being found. Surface morphology observations by scanning electron microscopy revealed that the crystallite size and topographical properties of the ZnO films were influenced by the Na doping concentration. X-ray photoelectron spectra revealed presence of Na+ in ZnO regime. The transmittance spectra indicated that the average transmittance of Na-doped ZnO film was above 80% in the visible range, superior to that of the undoped film. There was a blue-shift in the ultraviolet absorption edge with increase of the Na content. Photoluminescence spectra illustrated two peaks, corresponding to ultraviolet near-band-edge and visible emission.

Growth and photocatalytic properties of Sb-doped ZnO nanoneedles by hydrothermal process

NASA Astrophysics Data System (ADS)

Abaker, M.; Umar, Ahmad; Al-Sayari, S. A.; Dar, G. N.; Faisal, M.; Kim, S. H.; Hwang, S. W.

2011-10-01

This paper reports a facile hydrothermal synthesis of Sb-doped ZnO nanoneedles by using aqueous mixtures of zinc chloride, antimony (Sb) chloride, hexamethylenetetramine (HMTA) and ammonium hydroxide at low temperature of 110 °C. The morphological characterizations of as-synthesized nanoneedles were done by field emission scanning electron microscopy (FESEM) which reveals that the nanoneedles are grown in large-quantity and arranged in such a special manner that they made flower-like morphologies. The structural characterization of as-synthesized nanoneedles was investigated by X-ray diffraction (XRD) pattern which confirm the well-crystalline and wurtzite hexagonal phase of as-synthesized products. The compositional characterization of as-synthesized nanoneedles was characterized by energy dispersive spectroscopy (EDS), which verify that the synthesized nanoneedles are composed of zinc, Sb and oxygen. For application point of view, the synthesized nanoneedles were used as photocatalyst for photocatalytic degradation of methylene blue (MBB) and it was found that it exhibit good photocatalytic properties towards the photocatalytic degradation of methylene blue.

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.

Structural, morphological and magnetic properties of pure and Ni-doped ZnO nanoparticles synthesized by sol-gel method

NASA Astrophysics Data System (ADS)

Undre, Pallavi G.; Birajdar, Shankar D.; Kathare, R. V.; Jadhav, K. M.

2018-05-01

In this work pure and Ni-doped ZnO nanoparticles have been prepared by sol-gel method. Influence of nickel doping on structural, morphological and magnetic properties of prepared nanoparticles was investigated by X-ray diffraction technique (XRD), Scanning electron microscopy (SEM) and Pulse field magnetic hysteresis loop. X-ray diffraction pattern shows the formation of a single phase with hexagonal wurtzite structure of both pure and Ni-doped ZnO nanoparticles. The lattice parameters `an' and `c' of Ni-doped ZnO is slightly less than that of pure ZnO nanoparticles. The crystalline size of prepared nanoparticles is found to be in 29 and 31 nm range. SEM technique used to examine the surface morphology of samples, SEM image confirms the nanocrystalline nature of present samples. From the pulse field hysteresis loop technique pure and Ni-doped ZnO nanoparticles show diamagnetic and ferromagnetic behavior at room temperature respectively.

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.

Synthesis of Zinc Oxide Nanoparticles using Anthocyanin as a Capping Agent

NASA Astrophysics Data System (ADS)

Septiani, N. L. W.; Yuliarto, B.; Iqbal, M.; Nugraha

2017-05-01

Zinc Oxide nanoparticles have been successfully synthesized by utilizing anthocyanin as a capping agent by thermal decomposition of precursor route. The influence of the high and low concentrations of the anthocyanin to the shape and size of ZnO was investigated in this work. The anthocyanin was obtained from Indonesia black rice extract with methanol as a solvent. The crystallinity and morphology properties were characterized by X-Ray Diffractometer (XRD), and Scanning Electron Microscope (SEM), respectively. XRD result showed that ZnO was formed with good crystallinity without any second phase and had a hexagonal wurtzite crystal structure. SEM result revealed that ZnO with a low concentration of anthocyanin has a spherical shape with a uniform size of about 16 nm while ZnO with a high concentration of anthocyanin has a rod-like shape. The size of spherical ZnO in this work is smaller than ZnO from the same method of synthesis without anthocyanin (~30 nm).

Ferromagnetic mechanism of (Co, Cu)-codoped ZnO films with different Co concentrations investigated by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Yuan, Huan; Du, Xiaosong; Xu, Ming

2016-05-01

Cobalt/copper-codoped ZnO nanoparticles, synthesized with different Co concentrations by a sol-gel method using ethanol as solvent, were studied via XPS. Hexagonal wurtzite structure was found in all samples, with no evidence of any secondary phase. The average crystallite size of the samples was around 20-30 nm, altered significantly with increasing Co concentration. Copper ions and Cobalt ions are indeed substituted into the ZnO lattice at the Zn2+ site, as shown by XRD and XPS. Further studies showed dramatic changes of Cu valence from +2 to +1 as the Co concentration level exceeds 1%, accompanied by a blue-shift of the optical bandgap from 3.01 to 3.13 eV. Ferromagnetism of the Co-doped Zn0.95Cu0.05O thin films was observed and found to be tunable - a phenomenon associated with the valence state of the Cu ions and the existence of some defects like oxygen vacancies in the films.

Systematic approach to developing empirical interatomic potentials for III-N semiconductors

NASA Astrophysics Data System (ADS)

Ito, Tomonori; Akiyama, Toru; Nakamura, Kohji

2016-05-01

A systematic approach to the derivation of empirical interatomic potentials is developed for III-N semiconductors with the aid of ab initio calculations. The parameter values of empirical potential based on bond order potential are determined by reproducing the cohesive energy differences among 3-fold coordinated hexagonal, 4-fold coordinated zinc blende, wurtzite, and 6-fold coordinated rocksalt structures in BN, AlN, GaN, and InN. The bond order p is successfully introduced as a function of the coordination number Z in the form of p = a exp(-bZn ) if Z ≤ 4 and p = (4/Z)α if Z ≥ 4 in empirical interatomic potential. Moreover, the energy difference between wurtzite and zinc blende structures can be successfully evaluated by considering interaction beyond the second-nearest neighbors as a function of ionicity. This approach is feasible for developing empirical interatomic potentials applicable to a system consisting of poorly coordinated atoms at surfaces and interfaces including nanostructures.

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

Marimuthu, T.; Anandhan, N., E-mail: anandhan-kn@rediffmail.com; Mummoorthi, M.

Zinc oxide (ZnO) and zinc oxide/eosin yellow (ZnO/EY) thin films were potentiostatically deposited onto fluorine doped tin oxide (FTO) glass substrate. Effect of eosin yellow dye on structural, morphological and optical properties was studied. X-ray diffraction patterns, micro Raman spectra and photoluminescence (PL) spectra reveal hexagonal wurtzite structure with less atomic defects in 101 plane orientation of the ZnO/EY film. Scanning electron microscopy (SEM) images show flower for ZnO and porous like structure for ZnO/EY thin film, respectively. DSSC was constructed and evaluated by measuring the current density verses voltage curve.

Structural and optical characterization of ZnO nanowires grown on alumina by thermal evaporation method.

PubMed

Mute, A; Peres, M; Peiris, T C; Lourenço, A C; Jensen, Lars R; Monteiro, T

2010-04-01

Zinc oxide nanowires have been grown on alumina substrate by thermal evaporation of zinc nanopowder in the presence of oxygen flow. The growth was performed under ambient pressure and without the use of foreign catalyst. Scanning electron microscopy (SEM) observation showed that the as-grown sample consists of bulk ZnO crystal on the substrate surface with nanowires growing from this base. Growth mechanism of the observed morphology is suggested to be governed by the change of zinc vapour supersaturation during the growth process. X-ray diffraction (XRD) measurement was used to identify the crystalline phase of the nanowires. Optical properties of the nanowires were investigated using Raman scattering and photoluminescence (PL). The appearance of dominant, Raman active E2 (high) phonon mode in the Raman spectrum has confirmed the wurtzite hexagonal phase of the nanowires. With above bandgap excitation the low temperature PL recombination is dominated by donor bound exciton luminescence at -3.37 eV with a narrow full width at half maximum. Free exciton emission is also seen at low temperature and can be observed up to room temperature. The optical data indicates that the grown nanowires have high optical quality.

Rapid and High-Efficiency Laser-Alloying Formation of ZnMgO Nanocrystals

PubMed Central

Liu, Peisheng; Wang, Hao; Chen, Jun; Li, Xiaoming; Zeng, Haibo

2016-01-01

Applications of ZnMgO nanocrystals (NCs), especially in photoelectric detectors, have significant limitations because of the unresolved phase separation in the synthesis process. Here, we propose a rapid and highly efficient ZnMgO NC alloying method based on pulsed laser ablation in liquid. The limit value of homogeneous magnesium (Mg) is pushed from 37% to 62%, and the optical band gap is increased to 3.7 eV with high doping efficiency (>100%). Further investigations on the lattice geometry of ZnMgO NCs indicate that all ZnMgO NCs are hexagonal wurtzite structures, and the (002) and (100) peaks shift to higher diffraction angles with the increase in Mg doping content. The calculated results of the lattice constants a and c slightly decrease based on Bragg’s law and lattice geometry equations. Furthermore, the relationship between annealing temperature and the limit value of homogeneous Mg is examined, and the results reveal that the latter decreases with the former because of the phase separation of MgO. A probable mechanism of zinc magnesium alloy is introduced to expound on the details of the laser-alloying process. PMID:27324296

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.

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

Internal structure of multiphase zinc-blende wurtzite gallium nitride nanowires.

PubMed

Jacobs, B W; Ayres, V M; Crimp, M A; McElroy, K

2008-10-08

In this paper, the internal structure of novel multiphase gallium nitride nanowires in which multiple zinc-blende and wurtzite crystalline domains grow simultaneously along the entire length of the nanowire is investigated. Orientation relationships within the multiphase nanowires are identified using high-resolution transmission electron microscopy of nanowire cross-sections fabricated with a focused ion beam system. A coherent interface between the zinc-blende and wurtzite phases is identified. A mechanism for catalyst-free vapor-solid multiphase nanowire nucleation and growth is proposed.

Mechanically controlling the reversible phase transformation from zinc blende to wurtzite in AlN

DOE PAGES

Li, Zhen; Yadav, Satyesh; Chen, Youxing; ...

2017-04-10

III–V and other binary octet semiconductors often take two phase forms—wurtzite (wz) and zinc blende (zb) crystal structures—with distinct functional performance at room temperature. Here, we investigate how to control the synthesized phase structure to either wz or zb phase by tuning the interfacial strain by taking AlN as a representative III–V compound. Furthermore, by applying in situ mechanical tests at atomic scale in a transmission electron microscope, we observed the reversible phase transformation from zb to wz, and characterized the transition path—the collective glide of Shockley partials on every two {111} planes of the zb AlN.

Electron transport in zinc-blende wurtzite biphasic gallium nitride nanowires and GaNFETs

DOE PAGES

Jacobs, Benjamin W.; Ayres, Virginia M.; Stallcup, Richard E.; ...

2007-10-19

Two-point and four-point probe electrical measurements of a biphasic gallium nitride nanowire and current–voltage characteristics of a gallium nitride nanowire based field effect transistor are reported. The biphasic gallium nitride nanowires have a crystalline homostructure consisting of wurtzite and zinc-blende phases that grow simultaneously in the longitudinal direction. There is a sharp transition of one to a few atomic layers between each phase. Here, all measurements showed high current densities. Evidence of single-phase current transport in the biphasic nanowire structure is discussed.

Electrochemical growth of controlled tip shapes of ZnO nanorod arrays on silicon substrate and enhanced photoluminescence emission from nanopyramid arrays compared with flat-head nanorods

NASA Astrophysics Data System (ADS)

Alimanesh, Mahmoud; Hassan, Z.; Zainal, Norzaini

2017-10-01

Zinc oxide (ZnO) nanorod arrays (NRAs) with different morphologies such as; perfect hexagon flat-head, pyramidal, compact pencil, nail-shaped, and high-compact ZnO nanorod thin films, were successfully grown on silicon substrates. These NRAs were formed on substrates using a simple low-temperature electrochemical method without adding any catalyst or template via the precursors of zinc nitrate hexahydrate [Zn(NO3)2·6H2O] and hexamethylenetetramine [HMT; C6H12N4] with an equal molar concentration of 0.025 mol/l. The morphologies of the ZnO nanorods (NRs) could be controlled and transformed successfully in to other morphologies by changing the growth conditions, such as; growth temperature and applied current density. Detailed structural investigations reveal that the synthesized various NRs are single crystalline with wurtzite hexagonal phase and preferentially grow along the c-axis direction. The room temperature photoluminescence spectra show that each spectrum consists of an ultraviolet (UV) band and a relative broad visible light emission and infrared emission peak. The enhanced light emission intensity at UV peak (∼375 nm) is observed significantly from ZnO nanopyramid (NP) arrays because of the conical shape of NP. The photoluminescence intensity of the UV peak from the NPs is found to be 1.5-17 times larger than those from the other various NRs.

3-D matrix template-assisted growth of oriented oxide nanowire arrays using glancing angle pulsed laser deposition

NASA Astrophysics Data System (ADS)

Wright, N.; Mateo-Feliciano, D.; Ostoski, A.; Mukherjee, P.; Witanachchi, S.

Nanosphere lithography is a combination of different methods to nanofabrication. In this work nanosphere lithography is used to study the growth of Zinc Oxide Nano-columns (ZnO NCs) on different diameter Silica Nanosphere (SNS) self-assembled templates. ZnO NCs are promising building blocks for many existing and emerging optical, electrical, and piezoelectric devices, specifically, the seeded growth of other oxide materials. Recently, reports have shown a ferroelectric phase of zinc stannate (ZnSnO3) and while lead zirconium titanate oxide (PZT) has been the main material of interest in ferroelectric and piezoelectric applications, the toxicity of lead has been of great concern. The possibility of developing lead free piezoelectric materials is of great interest in the ferroelectric community. Langmuir-Blodgett method was used to construct a self-assembled monolayer of SNSs on silicon substrates. Oriented ZnO NCs were grown on top of the spheres using the glancing angle pulsed laser deposition technique. Columns were formed in a spatially ordered closed-packed hexagonal configuration. Growth of ZnO NCs was studied as function of ambient Oxygen pressure with SNS size ranging from 250-1000 nm. Cross-sectional Scanning Electron Microscopy and X-ray diffraction (XRD) were used to study the template structure. Relative aspect ratios were studied and showed tunability of column dimensions with sphere size. XRD revealed ZnO NC arrays were c-axis oriented with hexagonal wurtzite structure.

Synthesis, characterization and photocatalytic activity of magnetically separable hexagonal Ni/ZnO nanostructure

NASA Astrophysics Data System (ADS)

Senapati, Samarpita; Srivastava, Suneel K.; Singh, Shiv B.

2012-09-01

The hexagonal zinc oxide coated nickel (Ni/ZnO) nanostructure photocatalyst has successfully been prepared by the reduction of nickel chloride hexahydrate using hydrazine hydrate through the solvothermal process at 140 °C followed by surface modification of the product by the reflux method at 110 °C for 1 h. The X-ray diffraction (XRD) pattern showed that the `as prepared' sample consists of face centered cubic Ni and hexagonal wurtzite ZnO without any traces of impurity. Field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) images confirmed the formation of nickel nanoparticles under solvothermal conditions. These nickel nanoparticles, when subjected to reflux, formed the hexagonal zinc oxide coated nickel nanostructure. Fourier transform infrared (FTIR) spectra, photoluminescence (PL) and Raman studies also confirmed the presence of zinc oxide in the hybrid nanostructure. The growth mechanism for the development of the hexagonal zinc oxide coated nickel (Ni/ZnO) nanostructure has also been proposed. The appearance of the hysteresis loop, in the as-prepared Ni/ZnO hybrid nanostructure, demonstrated its ferromagnetic character at room temperature. The hexagonal Ni/ZnO nanostructure also acts as an efficient photocatalyst in the degradation of methylene blue under ultraviolet light irradiation. It is observed that the catalytic efficiency of the hybrid nanocatalyst is better compared to pure zinc oxide. Most importantly, the Ni/ZnO catalyst could also be easily separated, simply by applying an external magnetic field, and reused.The hexagonal zinc oxide coated nickel (Ni/ZnO) nanostructure photocatalyst has successfully been prepared by the reduction of nickel chloride hexahydrate using hydrazine hydrate through the solvothermal process at 140 °C followed by surface modification of the product by the reflux method at 110 °C for 1 h. The X-ray diffraction (XRD) pattern showed that the `as prepared' sample consists of face centered cubic Ni and hexagonal wurtzite ZnO without any traces of impurity. Field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) images confirmed the formation of nickel nanoparticles under solvothermal conditions. These nickel nanoparticles, when subjected to reflux, formed the hexagonal zinc oxide coated nickel nanostructure. Fourier transform infrared (FTIR) spectra, photoluminescence (PL) and Raman studies also confirmed the presence of zinc oxide in the hybrid nanostructure. The growth mechanism for the development of the hexagonal zinc oxide coated nickel (Ni/ZnO) nanostructure has also been proposed. The appearance of the hysteresis loop, in the as-prepared Ni/ZnO hybrid nanostructure, demonstrated its ferromagnetic character at room temperature. The hexagonal Ni/ZnO nanostructure also acts as an efficient photocatalyst in the degradation of methylene blue under ultraviolet light irradiation. It is observed that the catalytic efficiency of the hybrid nanocatalyst is better compared to pure zinc oxide. Most importantly, the Ni/ZnO catalyst could also be easily separated, simply by applying an external magnetic field, and reused. Electronic supplementary information (ESI) available: Fig. S1 Ni/ZnO hybrid nanostructure prepared using (a) 0.195 and (b) 0.25 M [Zn2+] at 90 °C Fig. S2 FTIR spectra of nickel nanoparticles prepared at 140 °C (a), and Ni/ZnO hybrid nanostructure prepared using (b) 0.063, (c) 0.125, (d) 0.195 and (e) 0.25 M [Zn2+]; Fig. S3 Raman spectra of Ni/ZnO nanostructure prepared using (a) 0.063, (b) 0.125, (c) 0.195 and (d) 0.25 M [Zn2+]; Fig. S4 Room temperature PL spectra of (a) ZnO and (b) Ni/ZnO nanostructure prepared using 0.25 M [Zn2+]. See DOI: 10.1039/c2nr31831h

Oxygen vacancy induced by La and Fe into ZnO nanoparticles to modify ferromagnetic ordering

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

Verma, Kuldeep Chand, E-mail: kuldeep0309@yahoo.co.in; Kotnala, R.K., E-mail: rkkotnala@gmail.com

We reported long-range ferromagnetic interactions in La doped Zn{sub 0.95}Fe{sub 0.05}O nanoparticles that mediated through lattice defects or vacancies. Zn{sub 0.92}Fe{sub 0.05}La{sub 0.03}O (ZFLaO53) nanoparticles were synthesized by a sol–gel process. X-ray fluorescence spectrum of ZFLaO53 detects the weight percentage of Zn, Fe, La and O. X-ray diffraction shows the hexagonal Wurtzite ZnO phase. The Rietveld refinement has been used to calculate the lattice parameters and the position of Zn, Fe, La and O atoms in the Wurtzite unit cell. The average size of ZFLaO53 nanoparticles is 99 nm. The agglomeration type product due to OH ions with La resultsmore » into ZnO nanoparticles than nanorods that found in pure ZnO and Zn{sub 0.95}Fe{sub 0.05}O sample. The effect of doping concentration to induce Wurtzite ZnO structure and lattice defects has been analyzed by Raman active vibrational modes. Photoluminescence spectra show an abnormal emission in both UV and visible region, and a blue shift at near band edge is formed with doping. The room temperature magnetic measurement result into weak ferromagnetism but pure ZnO is diamagnetic. However, the temperature dependent magnetic measurement using zero-field and field cooling at dc magnetizing field 500 Oe induces long-range ferromagnetic ordering. It results into antiferromagnetic Neel temperature of ZFLaO53 at around 42 K. The magnetic hysteresis is also measured at 200, 100, 50 and 10 K measurement that indicate enhancement in ferromagnetism at low temperature. Overall, the La doping into Zn{sub 0.95}Fe{sub 0.05}O results into enhanced antiferromagnetic interaction as well as lattice defects/vacancies. The role of the oxygen vacancy as the dominant defects in doped ZnO must form Bound magnetic polarons has been described. - Graphical abstract: The long-range ferromagnetic order in Zn{sub 0.92}Fe{sub 0.05}La{sub 0.03}O nanoparticles at low temperature measurements involves oxygen vacancy as the medium of magnetic interactions. - Highlights: • The La and Fe doping into ZnO nanoparticles induce defects in terms of oxygen vacancy. • The La ions in Fe substituted ZnO formed nanoparticles than nanorods. • Antiferromagnetic interactions are observed at room temperature magnetic measurement. • Rietveld analysis evaluated structural deformation in the Wurtzite ZnO lattice.« less

ZnO-based transparent conductive thin films via sonicated-assisted sol-gel technique

NASA Astrophysics Data System (ADS)

Malek, M. F.; Mamat, M. H.; Ismail, A. S.; Yusoff, M. M.; Mohamed, R.; Rusop, M.

2018-05-01

We report on the growth of Al-doped ZnO (AZO) thin films onto Corning 7740 glass substrates via sonicated-assisted sol-gel technique. The influence of Al dopant on crystallisation behavior, optical and electrical properties of AZO films has been systematically investigated. All films are polycrystalline with a hexagonal wurtzite structure with a preferential orientation according to the direction <002>. All films exhibit a transmittance above than 80-90 % along the visible range up to 800 nm and a sharp absorption onset below 400 nm corresponding to the fundamental absorption edge of ZnO.

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.

Variation of crystal structure and optical properties of wurtzite-type oxide semiconductor alloys of β-Cu(Ga,Al)O2

NASA Astrophysics Data System (ADS)

Nagatani, Hiraku; Mizuno, Yuki; Suzuki, Issei; Kita, Masao; Ohashi, Naoki; Omata, Takahisa

2017-06-01

Band-gap engineering of β-CuGaO2 was demonstrated by the alloying of gallium with aluminum, that is, Cu(Ga1-xAlx)O2. The ternary wurtzite β-NaFeO2-type alloys were obtained in the range 0 ≤ x ≤ 0.7, and γ-LiAlO2-type phase appeared in the range 0.7 ≤ x ≤ 1. The energy band gap of wurtzite β-CuGaO2 was controlled in the range between 1.47 and 2.09 eV. A direct band gap for x < 0.6 and indirect band gap for x ≥ 0.6 were proposed based on the structural distortion in the β-NaFeO2-type phase and density functional theory (DFT) calculation of β-CuAlO2. The DFT calculation also indicated that the γ-LiAlO2-type phases appeared in 0.7 ≤ x ≤ 1 are also indirect-gap semiconductors.

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

Gries, K. I.; Vogel, S.; Straubinger, R.

The self-assembled formation of ordered, vertically stacked rocksalt/wurtzite Mg{sub x}Zn{sub 1−x}O heterostructures by planar phase separation is shown. These heterostructures form quasi “natural” two-dimensional hetero-interfaces between the different phases upon annealing of MgO-oversaturated wurtzite Mg{sub x}Zn{sub 1−x}O layers grown by plasma-assisted molecular beam epitaxy on c-plane sapphire substrates. The optical absorption spectra show a red shift simultaneous with the appearance of a cubic phase upon annealing at temperatures between 900 °C and 1000 °C. Transmission electron microscopy reveals that these effects are caused by phase separation leading to the formation of a vertically ordered rock salt/wurtzite heterostructures. To explain these observations, wemore » suggest a phase separation epitaxy model that considers this process being initiated by the formation of a cubic (Mg,Zn)Al{sub 2}O{sub 4} spinel layer at the interface to the sapphire substrate, acting as a planar seed for the epitaxial precipitation of rock salt Mg{sub x}Zn{sub 1−x}O. The equilibrium fraction x of magnesium in the resulting wurtzite (rock salt) layers is approximately 0.15 (0.85), independent of the MgO content of the as-grown layer and determined by the annealing temperature. This model is confirmed by photoluminescence analysis of the resulting layer systems after different annealing temperatures. In addition, we show that the thermal annealing process results in a significant reduction in the density of edge- and screw-type dislocations, providing the possibility to fabricate high quality templates for quasi-homoepitaxial growth.« less

Far-infrared transmission in GaN, AlN, and AlGaN thin films grown by molecular beam epitaxy

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

Ibanez, J.; Hernandez, S.; Alarcon-Llado, E.

2008-08-01

We present a far-infrared transmission study on group-III nitride thin films. Cubic GaN and AlN layers and c-oriented wurtzite GaN, AlN, and Al{sub x}Ga{sub 1-x}N (x<0.3) layers were grown by molecular beam epitaxy on GaAs and Si(111) substrates, respectively. The Berreman effect allows us to observe simultaneously the transverse optic and the longitudinal optic phonons of both the cubic and the hexagonal films as transmission minima in the infrared spectra acquired with obliquely incident radiation. We discuss our results in terms of the relevant electromagnetic theory of infrared transmission in cubic and wurtzite thin films. We compare the infrared resultsmore » with visible Raman-scattering measurements. In the case of films with low scattering volumes and/or low Raman efficiencies and also when the Raman signal of the substrate material obscures the weaker peaks from the nitride films, we find that the Berreman technique is particularly useful to complement Raman spectroscopy.« less

Wurtzite/zinc-blende electronic-band alignment in basal-plane stacking faults in semi-polar GaN

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Hafiz, Shopan; Izyumskaya, Natalia; Das, Saikat; Özgür, Ümit; Morkoç, Hadis; Avrutin, Vitaliy

2016-02-01

Heteroepitaxial semipolar and nonpolar GaN layers often suffer from high densities of extended defects including basal plane stacking faults (BSFs). BSFs which are considered as inclusions of cubic zinc-blende phase in wurtzite matrix act as quantum wells strongly affecting device performance. Band alignment in BSFs has been discussed as type of band alignment at the wurtzite/zinc blende interface governs the response in differential transmission; fast decay after the pulse followed by slow recovery due to spatial splitting of electrons and heavy holes for type- II band alignment in contrast to decay with no recovery in case of type I band alignment. Based on the results, band alignment is demonstrated to be of type II in zinc-blende segments in wurtzite matrix as in BSFs.

Optical, electrical and ferromagnetic studies of ZnO:Fe diluted magnetic semiconductor nanoparticles for spintronic applications

NASA Astrophysics Data System (ADS)

Elilarassi, R.; Chandrasekaran, G.

2017-11-01

In the present investigation, diluted magnetic semiconductor (Zn1-xFexO) nanoparticles with different doping concentrations (x = 0, 0.02, 0.04, 0.06, and 0.08) were successfully synthesized by sol-gel auto-combustion method. The crystal structure, morphology, optical, electrical and magnetic properties of the prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive analysis using x-rays (EDAX), ultraviolet-visible spectrophotometer, fluorescence spectroscope (FS), vibrating sample magnetometer (VSM) and broad band dielectric spectrometer (BDS). XRD results reveal that all the samples possess hexagonal wurtzite crystal structure with good crystalline quality. The absence of impurity phases divulge that Fe ions are well incorporated into the ZnO crystal lattice. The substitutional incorporation of Fe3+ at Zn sites is reflected in optical absorption spectra of the samples. Flouorescence spectra of the samples show a strong near-band edge related UV emission as well as defect related visible emissions. The semiconducting behavior of the samples has been confirmed through electrical conductivity measurements. Magnetic measurements indicated that all the samples possess ferromagnetism at room temperature.

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.

Fruit peel extract mediated green synthesis of zinc oxide nanoparticles

NASA Astrophysics Data System (ADS)

Nava, O. J.; Soto-Robles, C. A.; Gómez-Gutiérrez, C. M.; Vilchis-Nestor, A. R.; Castro-Beltrán, A.; Olivas, A.; Luque, P. A.

2017-11-01

This work presents a study of the effects on the photocatalytic capabilities of zinc oxide nanoparticles when prepared via green synthesis using different fruit peel extracts as reducing agents. Zinc nitrate was used as a source of the zinc ions, while Lycopersicon esculentum (tomato), Citrus sinensis (orange), Citrus paradisi (grapefruit) and Citrus aurantifolia (lemon) contributed their peels for extracts. The Synthesized Samples were studied and characterized through Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), and High Resolution Transmission Electron Microscopy (HRTEM). All samples presented a band at 618 cm-1, indicating the presence of the Znsbnd O bond. The different samples all presented the same hexagonal crystal growth in their structure, the Wurtzite phase. The surface morphology of the nanoparticles showed that, depending on the extract used, the samples vary in size and shape distribution due to the chemical composition of the extracts. The photocatalytic properties of the zinc oxide samples were tested through UV light aided degradation of methylene blue. Most samples exhibited degradation rates at 180 min of around 97%, a major improvement when compared to chemically synthesized commercially available zinc oxide nanoparticles.

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.

Insight into the core-shell structures of Cu-In-S microspheres

NASA Astrophysics Data System (ADS)

Wochnik, Angela S.; Frank, Anna; Heinzl, Christoph; Häusler, Jonas; Schneider, Julian; Hoffmann, Ramona; Matich, Sonja; Scheu, Christina

2013-12-01

In this study we report about the inner and outer structure of CuInS2 microspheres which might be used e.g. in pastes for simple, low-cost solar cell preparation, as well as in electrodes for light-driven water splitting. The microspheres are synthesized via a mild, template-free solvothermal synthesis route and characterised by electron and focused ion beam microscopy, X-ray diffraction, inductively coupled plasma atomic emission and energy dispersive X-ray spectroscopy. The investigations of cross sections prepared by focused ion beam showed that the spheres consist of compact cores and flaky surface structures. Depending on the reaction time, the core possesses a stoichiometric or Cu-rich chemical composition surrounded by an In-rich shell. The flaky surface always comprises a stoichiometric composition in tetragonal chalcopyrite crystal structure, whereas the other areas additionally show minor contributions of CuS, and CuInS2 in hexagonal wurtzite structure. The presence of different phases can be beneficial for future applications since they offer different absorption behaviour in the visible range.

Structural, optical, and magnetic studies of manganese-doped zinc oxide hierarchical microspheres by self-assembly of nanoparticles.

PubMed

Hao, Yao-Ming; Lou, Shi-Yun; Zhou, Shao-Min; Yuan, Rui-Jian; Zhu, Gong-Yu; Li, Ning

2012-02-02

In this study, a series of manganese [Mn]-doped zinc oxide [ZnO] hierarchical microspheres [HMSs] are prepared by hydrothermal method only using zinc acetate and manganese acetate as precursors and ethylene glycol as solvent. X-ray diffraction indicates that all of the as-obtained samples including the highest Mn (7 mol%) in the crystal lattice of ZnO have a pure phase (hexagonal wurtzite structure). A broad Raman spectrum from as-synthesized doping samples ranges from 500 to 600 cm-1, revealing the successful doping of paramagnetic Mn2+ ions in the host ZnO. Optical absorption analysis of the samples exhibits a blueshift in the absorption band edge with increasing dopant concentration, and corresponding photoluminescence spectra show that Mn doping suppresses both near-band edge UV emission and defect-related blue emission. In particular, magnetic measurements confirm robust room-temperature ferromagnetic behavior with a high Curie temperature exceeding 400 K, signifying that the as-formed Mn-doped ZnO HMSs will have immense potential in spintronic devices and spin-based electronic technologies.

Effect of temperature on NH3 sensing by ZnO: Mg thin film grown by radio frequency magnetron sputtering technique

NASA Astrophysics Data System (ADS)

Vinoth, E.; Gopalakrishnan, N.

2018-04-01

Undoped and Mg doped (at l0 mol %) ZnO thin films have been grown on glass substrates by using the RF magnetron sputtering. The structural properties of the fabricated thin films were studied by X-ray diffraction analysis and it was found hexagonal wurtzite phase and preferential orientation along (002) of both films. Green Band Emission peaks in the Photoluminescence spectra confirm the structural defects such as oxygen vacancies (Vo) in the films. Uniform distribution of spherical shape morphology of grains observed in the both films by FESEM. However, the growth of grains was found in the Mg doped thin film. The temperature dependent ammonia sensing is done by the indigenously made gas sensing setup. The gas response of the both films was increased as the temperature increases, attains maximum at 75° C and then decreases. Response and recovery time measurementswere donefor boththe films and it shows the fast response time and quick recovery for doped thin film compared to the pure ZnO thin film.

Rotary target method to prepare thin films of CdS/SiO 2 by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Wang, H.; Zhu, Y.; Ong, P. P.

2000-12-01

Thin films of CdS-doped SiO 2 glass were prepared by using the conventional pulsed laser deposition (PLD) technique. The laser target consisted of a specially constructed rotary wheel which provided easy control of the exposure-area ratio to expose alternately the two materials to the laser beam. The physical target assembly avoided the potential complications inherent in chemically mixed targets such as in the sol-gel method. Time-of-flight (TOF) spectra confirmed the existence of the SiO 2 and CdS components in the thin-film samples so produced. X-ray diffraction (XRD) and atomic force microscopy(AFM) results showed the different sizes and structures of the as-deposited and annealed films. The wurtzite phase of CdS was found in the 600 oC-annealed sample, while the as-deposited film showed a cubic-hexagonal mixed structure. In the corresponding PL (photoluminescence) spectra, a red shift of the CdS band edge emission was found, which may be a result of the interaction between the CdS nanocrystallite and SiO 2 at their interface.

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.

Magnetic self-orientation of lyotropic hexagonal phases based on long chain alkanoic (fatty) acids.

PubMed

Douliez, Jean-Paul

2010-07-06

It is presently shown that long chain (C14, C16, and C18) alkanoic (saturated fatty) acids can form magnetically oriented hexagonal phases in aqueous concentrated solutions in mixtures with tetrabutylammonium (TBAOH) as the counterion. The hexagonal phase occurred for a molar ratio, alkanoic acid/TBAOH, higher than 1, i.e., for an excess of fatty acid. The hexagonal phase melted to an isotropic phase (micelles) upon heating at a given temperature depending on the alkyl chain length. The self-orientation of the hexagonal phase occurred upon cooling from the "high-temperature" isotropic phase within the magnetic field. The long axis of the hexagonal phase was shown to self-orient parallel to the magnetic field as evidenced by deuterium solid-state NMR. This finding is expected to be of interest in the field of structural biology and materials chemistry for the synthesis of oriented materials.

Nucleation and growth of zinc oxide nanorods directly on metal wire by sonochemical method.

PubMed

Rayathulhan, Ruzaina; Sodipo, Bashiru Kayode; Aziz, Azlan Abdul

2017-03-01

ZnO nanorods were directly grown on four different wires (silver, nickel, copper, and tungsten) using sonochemical method. Zinc nitrate hexahydrate and hexamethylenetetramine (HMT) were used as precursors. Influence of growth parameters such as precursors' concentration and ultrasonic power on the grown nanorods were determined. The results demonstrated that the precursor concentration affected the growth structure and density of the nanorods. The morphology, distribution, and orientation of nanorods changed as the ultrasonic power changed. Nucleation of ZnO nanorods on the wire occurred at lower ultrasonic power and when the power increased, the formation and growth of ZnO nanorods on the wires were initiated. The best morphology, size, distribution, and orientation of the nanorods were observed on the Ag wire. The presence of single crystal nanorod with hexagonal shaped was obtained. This shape indicates that the ZnO nanorods corresponded to the hexagonal wurtzite structure with growth preferential towards the (002) direction. Copyright © 2016 Elsevier B.V. All rights reserved.

Integrated Multi-Color Light Emitting Device Made with Hybrid Crystal Structure

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor)

2017-01-01

An integrated hybrid crystal Light Emitting Diode ("LED") display device that may emit red, green, and blue colors on a single wafer. The various embodiments may provide double-sided hetero crystal growth with hexagonal wurtzite III-Nitride compound semiconductor on one side of (0001) c-plane sapphire media and cubic zinc-blended III-V or II-VI compound semiconductor on the opposite side of c-plane sapphire media. The c-plane sapphire media may be a bulk single crystalline c-plane sapphire wafer, a thin free standing c-plane sapphire layer, or crack-and-bonded c-plane sapphire layer on any substrate. The bandgap energies and lattice constants of the compound semiconductor alloys may be changed by mixing different amounts of ingredients of the same group into the compound semiconductor. The bandgap energy and lattice constant may be engineered by changing the alloy composition within the cubic group IV, group III-V, and group II-VI semiconductors and within the hexagonal III-Nitrides.

Integrated Multi-Color Light Emitting Device Made with Hybrid Crystal Structure

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor)

2016-01-01

An integrated hybrid crystal Light Emitting Diode ("LED") display device that may emit red, green, and blue colors on a single wafer. The various embodiments may provide double-sided hetero crystal growth with hexagonal wurtzite III-Nitride compound semiconductor on one side of (0001) c-plane sapphire media and cubic zinc-blended III-V or II-VI compound semiconductor on the opposite side of c-plane sapphire media. The c-plane sapphire media may be a bulk single crystalline c-plane sapphire wafer, a thin free standing c-plane sapphire layer, or crack-and-bonded c-plane sapphire layer on any substrate. The bandgap energies and lattice constants of the compound semiconductor alloys may be changed by mixing different amounts of ingredients of the same group into the compound semiconductor. The bandgap energy and lattice constant may be engineered by changing the alloy composition within the cubic group IV, group III-V, and group II-VI semiconductors and within the hexagonal III-Nitrides.

Novel symmetry in the growth of gallium nitride on magnesium aluminate substrates

NASA Astrophysics Data System (ADS)

George, T.; Jacobsohn, E.; Pike, W. T.; Chang-Chien, P.; Khan, M. A.; Yang, J. W.; Mahajan, S.

1996-01-01

The growth of GaN by metalorganic chemical vapor deposition on (111) and (100) magnesium aluminate (MgAl2O4) substrates is examined using transmission electron microscopy. The results indicate that mainly wurtzite GaN is grown for both orientations. On the (111) substrate the following epitaxial relationship is observed: (0001)GaN ∥ (111)MgAl2O4, and [112¯0]GaN ∥ [11¯0]MgAl2O4. During the early stages of the (100) growth, four orientations of the wurtzite phase and a zinc-blende phase are formed. With increasing thickness, one of the wurtzite orientations dominates, with the epitaxial relationship being (11¯01)GaN ∥ (100)MgAl2O4 and the [112¯0]GaN nearly parallel to [011]MgAl2O4. This choice of growth orientation appears to be determined primarily by the nature of the interfacial bonding, with the basal plane of each of the four wurtzite GaN variants being nearly aligned along one of the four {111} planes intersecting the (100) surface of the MgAl2O4.

Synthesis, structural and optical properties of silver nanoparticles uniformly decorated ZnO nanowires

NASA Astrophysics Data System (ADS)

Zhang, Ke-Xin; Wen, Xing; Yao, Cheng-Bao; Li, Jin; Zhang, Meng; Li, Qiang-Hua; Sun, Wen-Jun; Wu, Jia-Da

2018-04-01

Silver (Ag) nanoparticles decorated Zinc oxide (A-ZnO) nanowires have been successfully synthesized by two-step chemical vapour deposition and magnetron sputtering method. The X-ray diffraction patterns revealed their hexagonal wurtzite structure. SEM images indicated the Ag nanoparticles are distributed uniformly on the surface of A-ZnO nanowires. By extending the sputtering time, the atomic percent of Ag increased gradually. Moreover, the photoluminescence results demonstrated two major emission peaks for the A-ZnO nanowires. Where, the visible emission peaks were stronger than those of unmodified ZnO nanowires. These studies promise their potential applications in multifunctional optical devices.

Defect free C-axis oriented zinc oxide (ZnO) films grown at room temperature using RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kunj, Saurabh; Sreenivas, K.

2016-05-01

Radio frequency Magnetron sputtering technique was employed to fabricate ZnO thin films on quartz substrate at room temperature. The effect of varying oxygen to argon (O2/Ar) gas ratio on the structural and photoluminescence properties of the film is analyzed.X-ray diffraction (XRD) spectra reveals the formation of hexagonal wurtzite structured ZnO thin films with preferred orientation along (002) plane. Photoluminescence (PL) characterization reveals the preparation of highly crystalline films exhibiting intense Ultraviolet (UV) emission with negligible amount of defects as indicated by the absence of Deep Level Emission (DLE) in the PL spectra.

Defect free C-axis oriented zinc oxide (ZnO) films grown at room temperature using RF magnetron sputtering

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

Kunj, Saurabh, E-mail: saurabhkunj22@gmail.com; Sreenivas, K.

2016-05-23

Radio frequency Magnetron sputtering technique was employed to fabricate ZnO thin films on quartz substrate at room temperature. The effect of varying oxygen to argon (O{sub 2}/Ar) gas ratio on the structural and photoluminescence properties of the film is analyzed.X-ray diffraction (XRD) spectra reveals the formation of hexagonal wurtzite structured ZnO thin films with preferred orientation along (002) plane. Photoluminescence (PL) characterization reveals the preparation of highly crystalline films exhibiting intense Ultraviolet (UV) emission with negligible amount of defects as indicated by the absence of Deep Level Emission (DLE) in the PL spectra.

Phytofabrication of bioinspired zinc oxide nanocrystals for biomedical application.

PubMed

Velmurugan, Palanivel; Park, Jung-Hee; Lee, Sang-Myeong; Jang, Jum-Suk; Yi, Young-Joo; Han, Sang-Sub; Lee, Sang-Hyun; Cho, Kwang-Min; Cho, Min; Oh, Byung-Taek

2016-09-01

In the present study, we investigated a novel green route for synthesis of zinc oxide nanoparticles (ZnO NPs) using the extract of young cones of Pinus densiflora as a reducing agent. Standard characterization studies were carried out to confirm the obtained product using UV-Vis spectra, SEM-EDS, FTIR, and XRD. TEM images showed that various shapes of ZnO NPs were synthesized, including hexagonal (wurtzite), triangular, spherical, and oval-shaped particles, with average sizes between 10 and 100 nm. The synthesized ZnO NPs blended with the young pine cone extract have very good activity against bacterial and fungal pathogens, similar to that of commercial ZnO NPs.

Synthesis and characterization of lanthanum doped zinc oxide nanoparticles

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

Kumar, Vinod; Sonia,; Suman,

La doped ZnO (Zn{sub 1-x}La{sub x}O, x = 0, 3, 6 and 9) were prepared via chemical co-precipitation method using Zinc Acetate, Lanthanum Acetate and Sodium Hydroxide at 50°C. Hydrate nanoparticles were annealed in air at 300°C for 3 hours. The synthesized samples have been characterized by powder X-ray diffraction and UV–Visible spectrophotometer. The XRD measurement revealsthat the prepared nanoparticles have different microstructure without changing a hexagonal wurtzite structure. The result shows the change in nanoparticles size with the increment of lanthanum concentration for lower concentration for x = 0 to 6 and decreases at x = 9.

Efficient Green Emission from Wurtzite Al xIn1- xP Nanowires.

PubMed

Gagliano, L; Kruijsse, M; Schefold, J D D; Belabbes, A; Verheijen, M A; Meuret, S; Koelling, S; Polman, A; Bechstedt, F; Haverkort, J E M; Bakkers, E P A M

2018-06-13

Direct band gap III-V semiconductors, emitting efficiently in the amber-green region of the visible spectrum, are still missing, causing loss in efficiency in light emitting diodes operating in this region, a phenomenon known as the "green gap". Novel geometries and crystal symmetries however show strong promise in overcoming this limit. Here we develop a novel material system, consisting of wurtzite Al x In 1- x P nanowires, which is predicted to have a direct band gap in the green region. The nanowires are grown with selective area metalorganic vapor phase epitaxy and show wurtzite crystal purity from transmission electron microscopy. We show strong light emission at room temperature between the near-infrared 875 nm (1.42 eV) and the "pure green" 555 nm (2.23 eV). We investigate the band structure of wurtzite Al x In 1- x P using time-resolved and temperature-dependent photoluminescence measurements and compare the experimental results with density functional theory simulations, obtaining excellent agreement. Our work paves the way for high-efficiency green light emitting diodes based on wurtzite III-phosphide nanowires.

Growth of wurtzite CdTe nanowires on fluorine-doped tin oxide glass substrates and room-temperature bandgap parameter determination

NASA Astrophysics Data System (ADS)

Choi, Seon Bin; Song, Man Suk; Kim, Yong

2018-04-01

The growth of CdTe nanowires, catalyzed by Sn, was achieved on fluorine-doped tin oxide glass by physical vapor transport. CdTe nanowires grew along the 〈0001〉 direction, with a very rare and phase-pure wurtzite structure, at 290 °C. CdTe nanowires grew under Te-limited conditions by forming SnTe nanostructures in the catalysts and the wurtzite structure was energetically favored. By polarization-dependent and power-dependent micro-photoluminescence measurements of individual nanowires, heavy and light hole-related transitions could be differentiated, and the fundamental bandgap of wurtzite CdTe at room temperature was determined to be 1.562 eV, which was 52 meV higher than that of zinc-blende CdTe. From the analysis of doublet photoluminescence spectra, the valence band splitting energy between heavy hole and light hole bands was estimated to be 43 meV.

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.

Effect of Fe incorporation on the optical behavior of ZnO thin films prepared by sol-gel derived spin coating techniques

NASA Astrophysics Data System (ADS)

Rakkesh, R. Ajay; Malathi, R.; Balakumar, S.

2013-02-01

In this work, Fe doped Zinc Oxide (ZnO) thin films were fabricated on the glass substrate by sol-gel derived spin coating technique. X-ray Diffraction studies revealed that the obtained pure and Fe doped ZnO thin films were in the wurtzite and spinel phase respectively. The three well defined Raman lines at 432, 543 and 1091 cm-1 also confirmed the lattice structure of the ZnO thin film has wurtzite symmetry. While doping Fe atoms in the ZnO, there was a significant change in the phase from wurtzite to spinel structure; owing to Fe (III) ions being incorporated into the lattice through substitution of Zn (II) ions. Room temperature PL spectra showed that the role of defect mediated red emissions at 612 nm was due to radial recombination of a photogenerated hole with an electron that belongs to the Fe atoms, which were discussed in detail.

Synthesis and surface chemistry of high quality wurtzite and kesterite Cu2ZnSnS4 nanocrystals using tin(II) 2-ethylhexanoate as a new tin source.

PubMed

Gabka, Grzegorz; Bujak, Piotr; Gryszel, Maciej; Ostrowski, Andrzej; Malinowska, Karolina; Zukowska, Grazyna Z; Agnese, Fabio; Pron, Adam; Reiss, Peter

2015-08-21

A novel synthesis method for the preparation of Cu2ZnSnS4 nanocrystals is presented using a liquid precursor of tin, namely tin(II) 2-ethylhexanoate, which yields small and nearly monodisperse NCs either in the kesterite or in the wurtzite phase depending on the sulfur source (elemental sulfur in oleylamine vs. dodecanethiol).

Tailoring the optical characteristics of microsized InP nanoneedles directly grown on silicon.

PubMed

Li, Kun; Sun, Hao; Ren, Fan; Ng, Kar Wei; Tran, Thai-Truong D; Chen, Roger; Chang-Hasnain, Connie J

2014-01-08

Nanoscale self-assembly offers a pathway to realize heterogeneous integration of III-V materials on silicon. However, for III-V nanowires directly grown on silicon, dislocation-free single-crystal quality could only be attained below certain critical dimensions. We recently reported a new approach that overcomes this size constraint, demonstrating the growth of single-crystal InGaAs/GaAs and InP nanoneedles with the base diameters exceeding 1 μm. Here, we report distinct optical characteristics of InP nanoneedles which are varied from mostly zincblende, zincblende/wurtzite-mixed, to pure wurtzite crystalline phase. We achieved, for the first time, pure single-crystal wurtzite-phase InP nanoneedles grown on silicon with bandgaps of 80 meV larger than that of zincblende-phase InP. Being able to attain excellent material quality while scaling up in size promises outstanding device performance of these nanoneedles. At room temperature, a high internal quantum efficiency of 25% and optically pumped lasing are demonstrated for single nanoneedle as-grown on silicon substrate. Recombination dynamics proves the excellent surface quality of the InP nanoneedles, which paves the way toward achieving multijunction photovoltaic cells, long-wavelength heterostructure lasers, and advanced photonic integrated circuits.

Indium Doped Zinc Oxide Thin Films Deposited by Ultrasonic Chemical Spray Technique, Starting from Zinc Acetylacetonate and Indium Chloride

PubMed Central

Biswal, Rajesh; Maldonado, Arturo; Vega-Pérez, Jaime; Acosta, Dwight Roberto; Olvera, María De La Luz

2014-01-01

The physical characteristics of ultrasonically sprayed indium-doped zinc oxide (ZnO:In) thin films, with electrical resistivity as low as 3.42 × 10−3 Ω·cm and high optical transmittance, in the visible range, of 50%–70% is presented. Zinc acetylacetonate and indium chloride were used as the organometallic zinc precursor and the doping source, respectively, achieving ZnO:In thin films with growth rate in the order of 100 nm/min. The effects of both indium concentration and the substrate temperature on the structural, morphological, optical, and electrical characteristics were measured. All the films were polycrystalline, fitting well with hexagonal wurtzite type ZnO. A switching in preferential growth, from (002) to (101) planes for indium doped samples were observed. The surface morphology of the films showed a change from hexagonal slices to triangle shaped grains as the indium concentration increases. Potential applications as transparent conductive electrodes based on the resulting low electrical resistance and high optical transparency of the studied samples are considered. PMID:28788118

Indium Doped Zinc Oxide Thin Films Deposited by Ultrasonic Chemical Spray Technique, Starting from Zinc Acetylacetonate and Indium Chloride.

PubMed

Biswal, Rajesh; Maldonado, Arturo; Vega-Pérez, Jaime; Acosta, Dwight Roberto; De La Luz Olvera, María

2014-07-04

The physical characteristics of ultrasonically sprayed indium-doped zinc oxide (ZnO:In) thin films, with electrical resistivity as low as 3.42 × 10 -3 Ω·cm and high optical transmittance, in the visible range, of 50%-70% is presented. Zinc acetylacetonate and indium chloride were used as the organometallic zinc precursor and the doping source, respectively, achieving ZnO:In thin films with growth rate in the order of 100 nm/min. The effects of both indium concentration and the substrate temperature on the structural, morphological, optical, and electrical characteristics were measured. All the films were polycrystalline, fitting well with hexagonal wurtzite type ZnO. A switching in preferential growth, from (002) to (101) planes for indium doped samples were observed. The surface morphology of the films showed a change from hexagonal slices to triangle shaped grains as the indium concentration increases. Potential applications as transparent conductive electrodes based on the resulting low electrical resistance and high optical transparency of the studied samples are considered.

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.

Effects of substitutional Li on the ferromagnetic response of Li co-doped ZnO:Co nanoparticles.

PubMed

Awan, Saif Ullah; Hasanain, S K; Bertino, Massimo F; Jaffari, G Hassnain

2013-04-17

Li co-doped ZnO:Co (Zn0.96-yCo0.04LiyO , y ≤ 0.1) nanoparticles were synthesized by the sol-gel technique and the correlation between the structural, electronic and magnetic properties was investigated. All the samples show a single phase hexagonal (wurtzite) ZnO structure and no secondary phases were detected. Variational trends in lattice parameters suggest the incorporation of Li in the ZnO:Co system in both substitutional and interstitial sites. Detailed electronic studies have been performed by high-resolution x-ray photoelectron spectroscopy (XPS) to determine the states of Zn, O, Co and Li. It was determined that Co substitutes at Zn sites (CoZn) while the O vacancy and Zn defects did not show much variation with increasing Li concentration. Deconvolution of the Li XPS peak showed a clear non-monotonic trend in the variation of the substitutional Li (LiZn) and interstitial Li (Lii) defects with increasing Li concentration in the particles. The magnetization study of the samples showed that the variation of the moment closely followed the trend of variation of the LiZn defects. The data are interpreted in terms of substitutional Li acting as a hole dopant and optimizing the conditions for ferromagnetism in Co-doped ZnO. Interstitial Li is not seen to be playing this role.

Investigation on the path process of M doped ZnO (M = Gd, Mg) via the sol-gel method from dried gel to stable nanostructure powder

NASA Astrophysics Data System (ADS)

Suharno; Soegijono, B.; Budiawanti, S.; Fadillah, L.

2017-04-01

Doping is one of the effective methods to modify the physical properties of ZnO material in order to extend its applications. An investigation on Zn1-xMxO (M = Gd, Mg and x = 0.00, 0.03) nanopowders that have been synthesized by sol-gel method and sintered at 600 °C for 2 hours was reported. The decomposition process of the dried gel system was investigated by thermal gravimetric analysis (TGA) and the nanopowders with different heating temperature were studied using FT-IR spectroscopy. The crystal structure of the nanopowders after sintering at 600 °C was obtained using X-ray diffraction (XRD). The TGA curves of the samples showed the various weight loss regions corresponding to the removal of starting materials and no weight loss was observed in the temperature range of 300 to 800 °C which corresponded to the phase-crystallization step. The FTIR spectra showed that ZnO band was assigned to the stretching frequency at 669 cm-1 while Gd/Mg doped ZnO was at 668 cm-1 and 666 cm-1. From the XRD studies, the crystal structure of the samples indicated single phase ZnO crystalline and confirmed hexagonal wurtzite structure (space group of P63mc).

Low-temperature growth of ZnO nanoparticles: photocatalyst and acetone sensor.

PubMed

Khan, Sher Bahadar; Faisal, M; Rahman, Mohammed M; Jamal, Aslam

2011-08-15

Well-crystalline ZnO nanoparticles (NPs) were synthesized in large-quantity via simple hydrothermal process using the aqueous mixtures of zinc chloride and ammonium hydroxide. The detailed structural properties were examined using X-ray diffraction pattern (XRD) and field emission scanning electron microscope (FESEM) which revealed that the synthesized NPs are well-crystalline and possessing wurtzite hexagonal phase. The NPs are almost spherical shape with the average diameters of ∼ 50 ± 10 nm. The quality and composition of the synthesized NPs were obtained using Fourier transform infrared (FTIR) and electron dispersed spectroscopy (EDS) which confirmed that the obtained NPs are pure ZnO and made with almost 1:1 stoichiometry of zinc and oxygen, respectively. The optical properties of ZnO NPs were investigated by UV-vis absorption spectroscopy. Synthesized ZnO NPs were extensively applied as a photocatalyst for the degradation of acridine orange (AO) and as a chemi-sensor for the electrochemical sensing of acetone in liquid phase. Almost complete degradation of AO has taken place after 80 min of irradiation time. The fabricated acetone sensor based on ZnO NPs exhibits good sensitivity (∼ 0.14065 μA cm(-2) mM(-1)) with lower detection limit (0.068 ± 0.01 mM) in short response time (10s). Copyright © 2011 Elsevier B.V. All rights reserved.

ZnO nanoparticles based fiber optic gas sensor

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

Narasimman, S.; Sivacoumar, R.; Alex, Z. C.

In this work, ZnO nanoparticles were synthesized by simple aqueous chemical route method. The synthesized ZnO nanoparticles were characterized by X-ray diffraction and scanning electron microscope. The sensitivity of the nanoparticles was studied for different gases like acetone, ammonia and ethanol in terms of variation in spectral light intensity. The XRD and SEM analysis confirms the formation of hexagonal wurtzite structure with the grain size of 11.2 nm. The small cladding region of the optical fiber was replaced with the synthesized nanoparticles. The light spectrum was recorded for different gas concentrations. The synthesized nanoparticles showed high sensitivity towards ammonia in lowmore » ppm level and acetone in high ppm level.« less

Erbium induced magnetic properties of Er/ZnO nanoparticles

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

Jayachandraiah, C.; Divya, A.; Sivakumar, K.

Pure and Er (2, 3 and 4 at. %) doped ZnO nanoparticles have been synthesized by chemical co-precipitation method. EDS spectrum confirmed the presence of Zn, O and Er in the synthesized samples. The XRD measurements confirmed the hexagonal wurtzite structure of ZnO for all samples. The crystallite size of the samples decreases with increase in concentration and are compatible with the results that obtained from TEM analysis.EPR spectra exhibitedferromagnetic signals the substitution Er The possible ferromagnetic zinc interstials signal is appeared for 2 at. % of Er dopant. The room temperature ferromagnetic is observed only for 2 at. %more » of Er while all other samples exhibiting weak ferromagnetic nature.« less

Synthesis of galium nitride thin films using sol-gel dip coating method

NASA Astrophysics Data System (ADS)

Hamid, Maizatul Akmam Ab; Ng, Sha Shiong

2017-12-01

In this research, gallium nitride (GaN) thin film were grown on silicon (Si) substrate by a low-cost sol-gel dip coating deposition method. The GaN precursor solution was prepared using gallium (III) nitrate hydrate powder, ethanol and diethanolamine as a starting material, solvent and surfactant respectively. The structural, morphological and optical characteristics of the deposited GaN thin film were investigated. Field-emission scanning electron microscopy observations showed that crack free and dense grains GaN thin films were formed. Energy dispersive X-ray analysis confirmed that the oxygen content in the deposited films was low. X-ray diffraction results revealed that deposited GaN thin films have hexagonal wurtzite structure.

ZnO nanowires: Synthesis and charge transfer mechanism in the detection of ammonia vapour

NASA Astrophysics Data System (ADS)

Nancy Anna Anasthasiya, A.; Ramya, S.; Rai, P. K.; Jeyaprakash, B. G.

2018-01-01

ZnO nanowires with hexagonal wurtzite structure were grown on the glass substrate using Successive Ionic Layer Adsorption and Reaction (SILAR) method. Both experimental and theoretical studies demonstrated that NH3 chemisorbed and transferred the charge to the surface of the nanowire via its nitrogen site to the zinc site of ZnO nanowires, leading to the detection of NH3 vapour. The adsorbed ammonia dissociated into NH2 and H due to steric repulsion, and then into N2 and H2 gas. The formation of the N2 gas during the desorption process confirmed by observing peak at 14 and 28 m/z in the GC-MS spectrum.

Synthesis and characterization of a narrow size distribution of zinc oxide nanoparticles.

PubMed

Zak, A Khorsand; Razali, R; Majid, W H Abd; Darroudi, Majid

2011-01-01

Zinc oxide nanoparticles (ZnO-NPs) were synthesized via a solvothermal method in triethanolamine (TEA) media. TEA was utilized as a polymer agent to terminate the growth of ZnO-NPs. The ZnO-NPs were characterized by a number of techniques, including X-ray diffraction analysis, transition electron microscopy, and field emission electron microscopy. The ZnO-NPs prepared by the solvothermal process at 150°C for 18 hours exhibited a hexagonal (wurtzite) structure, with a crystalline size of 33 ± 2 nm, and particle size of 48 ± 7 nm. The results confirm that TEA is a suitable polymer agent to prepare homogenous ZnO-NPs.

Transparent conducting ZnO-CdO mixed oxide thin films grown by the sol-gel method.

PubMed

Pathak, Trilok K; Rajput, Jeevitesh K; Kumar, Vinod; Purohit, L P; Swart, H C; Kroon, R E

2017-02-01

Mixed oxides of zinc and cadmium with different proportions were deposited on ordinary glass substrates using the sol-gel spin coating method under optimized deposition conditions using zinc acetate dihydrate and cadmium acetate dihydrate as precursors. X-ray diffraction patterns confirmed the polycrystalline nature of the films. A combination of cubic CdO and hexagonal wurtzite ZnO phases was observed. The oxidation states of Zn, Cd and O in the deposited films were determined by X-ray photoelectron spectroscopic studies. Surface morphology was studied by scanning electron microscopy and atomic force microscopy. The compositional analysis of the thin films was studied by secondary ion mass spectroscopy. The transmittance of the thin films was measured in the range 300-800nm and the optical bandgap was calculated using Tauc's plot method. The bandgap decreased from 3.15eV to 2.15eV with increasing CdO content. The light emission properties of the ZnO:CdO thin films were studied by photoluminescence spectra recorded at room temperature. The current-voltage characteristics were also assessed and showed ohmic behaviour. The resistance decreased with increasing CdO content. Copyright © 2016 Elsevier Inc. All rights reserved.

Solid solutions of gadolinium doped zinc oxide nanorods by combined microwave-ultrasonic irradiation assisted crystallization

NASA Astrophysics Data System (ADS)

Kiani, Armin; Dastafkan, Kamran; Obeydavi, Ali; Rahimi, Mohammad

2017-12-01

Nanocrystalline solid solutions consisting of un-doped and gadolinium doped zinc oxide nanorods were fabricated by a modified sol-gel process utilizing combined ultrasonic-microwave irradiations. Polyvinylpyrrolidone, diethylene glycol, and triethylenetetramine respectively as capping, structure directing, and complexing agents were used under ultrasound dynamic aging and microwave heating to obtain crystalline nanorods. Crystalline phase monitoring, lattice parameters and variation, morphology and shape, elemental analysis, functional groups, reducibility, and the oxidation state of emerged species were examined by PXRD, FESEM, TEM, EDX, FTIR, micro Raman, H2-TPR, and EPR techniques. Results have verified that irradiation mechanism of gelation and crystallization reduces the reaction time, augments the crystal quality, and formation of hexagonal close pack structure of Wurtzite morphology. Besides, dissolution of gadolinium within host lattice involves lattice deformation, unit cell distortion, and angular position variation. Structure related shape and growth along with compositional purity were observed through microscopic and spectroscopic surveys. Furthermore, TPR and EPR studies elucidated more detailed behavior upon exposure to the exerted irradiations and subsequent air-annealing including the formed oxidation states and electron trapping centers, presence of gadolinium, zinc, and oxygen disarrays and defects, as well as alteration in the host unit cell via gadolinium addition.

Structural and optical properties of ZnO nanorods synthesized via template free approach

NASA Astrophysics Data System (ADS)

Kajal, Priyanka; D, Pooja; Jaggi, Neena

2016-06-01

In this paper, we report a novel method for synthesis of semiconducting ZnO nanorods using Zinc acetate dehydrate precursor in a methanol—de-ionized (1:5) mixture via template free approach. Scanning electron microscope (SEM) and transmission electron microscope (TEM) images of as synthesized nanorods revealed hexagonal symmetry of rods, whereas x-ray diffraction (XRD) analysis for structure and phase has shown high crystallinity with wurtzite crystal structure. The structural characterization by FT-IR analysis revealed presence of various groups on as synthesized ZnO nanorods, whereas the UV-Vis analysis has shown a blue shift in the absorption spectra as compared to bulk ZnO due to quantum confinement of charge carriers. Photoluminescence (PL) spectroscopy study has also been performed revealing a good degree of phosphorescence in the ZnO nanorods. Further, thermo gravimetric analysis (TGA) revealed that as synthesized nanorods by present method are highly stable at high temperature (1000 °C). This study provides an alternative, less expensive and a very simple method for the fabrication of ZnO nanorods in abundance, which can be further used for various sensing applications, in particular, gas sensing.

Optical, electrical and ferromagnetic studies of ZnO:Fe diluted magnetic semiconductor nanoparticles for spintronic applications.

PubMed

Elilarassi, R; Chandrasekaran, G

2017-11-05

In the present investigation, diluted magnetic semiconductor (Zn 1-x Fe x O) nanoparticles with different doping concentrations (x=0, 0.02, 0.04, 0.06, and 0.08) were successfully synthesized by sol-gel auto-combustion method. The crystal structure, morphology, optical, electrical and magnetic properties of the prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive analysis using x-rays (EDAX), ultraviolet-visible spectrophotometer, fluorescence spectroscope (FS), vibrating sample magnetometer (VSM) and broad band dielectric spectrometer (BDS). XRD results reveal that all the samples possess hexagonal wurtzite crystal structure with good crystalline quality. The absence of impurity phases divulge that Fe ions are well incorporated into the ZnO crystal lattice. The substitutional incorporation of Fe 3+ at Zn sites is reflected in optical absorption spectra of the samples. Flouorescence spectra of the samples show a strong near-band edge related UV emission as well as defect related visible emissions. The semiconducting behavior of the samples has been confirmed through electrical conductivity measurements. Magnetic measurements indicated that all the samples possess ferromagnetism at room temperature. Copyright © 2017 Elsevier B.V. All rights reserved.

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.

Synthesis Structural and Optical Properties Of (Co, Al) co-doped ZnO Nano Particles

NASA Astrophysics Data System (ADS)

Swapna, P.; Venkatramana Reddy, S.

2018-02-01

We prepared (Co, Al) co-doped ZnO nanostructures using the method chemical co-precipitation successfully, at room temperature using PEG (Poly ethylene glycol) as stabilizing agent. Samples are prepared with different concentrations by keeping aluminium at 5 mol percent constant and varying the concentration of cobalt from 1 to 5 mol percent. After the preparation all the samples are carefully subjected to characterizations such as XRD, SEM with EDS, TEM, PL and UV-VIS-NIR. XRD pattern shows that all the samples possess hexagonal wurtzite crystal structure having no secondary phases pertaining to Al or cobalt, which shows successful dissolution of the dopents. TEM results shows the accurate size of particles and is confirmed the XRD data. SEM images of all the samples shows that particles are in nearly spherical shape, EDS spectrum reveals that incorporation of cobalt and aluminum in host lattice. PL spectrum shows that all the samples containing two prominent peaks centered at 420 nm and 446 nm. UV-VIS-NIR spectra has shown three absorptions peaks in the range of wavelength 550 nm to 700 nm, which are ascribed as typical d-d transitions of cobalt ions.

AB INITIO Investigations of the Magnetism in Diluted Magnetic Semiconductor Fe-DOPED GaN

NASA Astrophysics Data System (ADS)

Cheng, Jie; Zhou, Jing; Xu, Wei; Dong, Peng

2014-01-01

In this paper, we present a first principle investigation on Fe-doped GaN with wurtzite and zinc-blend structure using full potential density functional calculations. Data point out that the magnetic behavior of Fe-doped GaN system is strongly dependent on Fe doping configurations. In agreement with the experimental reports, and independently by doping, antiferromagnetism occurs in the zinc-blend structure, while in the wurtzite structure ferromagnetism depends on the Fe doping configurations. Detailed analyses combined with density of state calculations support the assignment that the ferromagnetism is closely related to the impurity band at the origin of the hybridization of Fe 3d and N 2p states in the Fe-doped GaN of wurtzite phase.

Novel high pressure hexagonal OsB2 by mechanochemistry

NASA Astrophysics Data System (ADS)

Xie, Zhilin; Graule, Moritz; Orlovskaya, Nina; Andrew Payzant, E.; Cullen, David A.; Blair, Richard G.

2014-07-01

Hexagonal OsB2, a theoretically predicted high-pressure phase, has been synthesized for the first time by a mechanochemical method, i.e., high energy ball milling. X-ray diffraction indicated that formation of hexagonal OsB2 begins after 2.5 h of milling, and the reaction reaches equilibrium after 18 h of milling. Rietveld refinement of the powder data indicated that hexagonal OsB2 crystallizes in the P63/mmc space group (No. 194) with lattice parameters of a=2.916 Å and c=7.376 Å. Transmission electron microscopy confirmed the appearance of the hexagonal OsB2 phase after high energy ball milling. in situ X-ray diffraction experiments showed that the phase is stable from -225 °C to 1050 °C. The hexagonal OsB2 powder was annealed at 1050 °C for 6 days in vacuo to improve crystallinity and remove strain induced during the mechanochemical synthesis. The structure partially converted to the orthorhombic phase (20 wt%) after fast current assisted sintering of hexagonal OsB2 at 1500 °C for 5 min. Mechanochemical approaches to the synthesis of hard boride materials allow new phases to be produced that cannot be prepared using conventional methods.

Effect of temperature on the electrical properties of Zn0.95M0.05O (M = Zn, Fe, Ni)

NASA Astrophysics Data System (ADS)

Sedky, A.; Mohamed, S. B.

2014-01-01

We report here the structural and electrical properties of Zn0.95M0.05O ceramic varistors, M = Zn, Ni and Fe. The samples were tested for phase purity and structural morphology by using X-Ray diffraction XRD and scanning electron microscope SEM techniques. The current-voltage characteristics J-E were obtained by dc electrical measurements in the temperature range of 300-500 K. Addition of doping did not influence the hexagonal wurtzite structure of ZnO ceramics. Furthermore, the lattice parameters ratio c/a for hexagonal distortion and the length of the bond parallel to the c axis, u were nearly unaffected. The average grain size was decreased from 1.57 μm for ZnO to 1.19 μm for Ni sample and to 1.22 μm for Fe sample. The breakdown field EB was decreased as the temperature increased, in the following order: Fe > Zn > Ni. The nonlinear region was clearly observed for all samples as the temperature increased up to 400 K and completely disappeared with further increase of temperature up to 500 K. The values of nonlinear coefficient, a were between 1.16 and 42 for all samples, in the following order: Fe > Zn > Ni. Moreover, the electrical conductivity s was gradually increased as the temperature increased up to 500 K, in the following order: Ni > Zn > Fe. On the other hand, the activation energies were 0.194 eV, 0.136 and 0.223 eV for all samples, in the following order: Fe, Zn and Ni. These results have been discussed in terms of valence states, magnetic moment and thermo-ionic emission, which were produced by the doping, and controlling the potential barrier of ZnO.

Influence of Co doping on combined photocatalytic and antibacterial activity of ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Anandan, M.; Dinesh, S.; Krishnakumar, N.; Balamurugan, K.

2016-11-01

The present work aims to investigate the structural, optical, photocatalyst and antibacterial properties of bare and cobalt doped ZnO nanoparticles (NPs) with different concentrations Zn1-x Co x O (x = 0, 0.03, 0.06 and 0.09) synthesized by co-precipitation method. The XRD patterns confirmed that all samples of cobalt doped ZnO nanostructures revealed the formation of single phase having hexagonal wurtzite structure with crystallite size in the range of 31-41 nm. Further, the decreasing trend in lattice parameters and grain sizes were also seen with increasing doping concentrations which confirms the incorporation of Co ions into the ZnO lattice. This result was further supported by the FT-IR data. HR-TEM images demonstrated the distinct hexagonal like morphology with small agglomeration. The UV-visible absorption spectra exhibits red shift with increase in Co doping concentration in ZnO while corresponding bandgap energy of cobalt doped ZnO NPs decreased with increased Co doping concentration. PL spectra showed a weak UV and visible emission band which may be ascribed to the reduction in oxygen vacancy and defects by cobalt doping. XPS and EDX spectral results confirm the composition and the purity of Co doped ZnO NPs. Furthermore, the Co doped ZnO NPs were found to exhibit lesser photocatalytic activity for the degradation of methyl green dye under UV light illumination in comparison with the bare ZnO NPs. Moreover, anti-bacterial studies reveals that the Co doped ZnO NPs possess more antibacterial effect against gram positive Basillus subtills and gram negative Klebsiella pneumoniae bacterial strains than the bare ZnO NPs.

Green engineered ZnO nanopowders by Banyan Tree and E. tirucalli plant latex: auto ignition route, photoluminescent and photocatalytic properties

NASA Astrophysics Data System (ADS)

Anilkumar, M. R.; Nagaswarupa, H. P.; Anantharaju, K. S.; Gurushantha, K.; Pratapkumar, C.; Prashantha, S. C.; Shashi Shekhar, T. R.; Nagabhushana, H.; Sharma, S. C.; Vidya, Y. S.; Prasad, Daruka

2015-03-01

A simple and eco-friendly solution combustion route was used to prepare ZnO nanoparticles (ZNPs) using Banyan Tree (BT) and Euphorbia tirucalli (ET) plant latexes as fuels. The final products were characterized by powder x-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), UV-visible, scanning electron microcopy (SEM) and transmission electron microscopy (TEM). The PXRD result reveals the formation of hexagonal phase with Wurtzite structure. The crystallite size obtained from TEM was found to be ˜20-25 nm. SEM results reveal rose-like morphology with BT latex and hexagonal shaped with ET latex. The energy band gap of ZNPs obtained by BT and ET latex were found to be 3.20 and 3.38 eV, respectively. Photoluminescence (PL) emission peaks at ˜421, 458, 505, 522, 628 and 695 nm were observed in both the samples when excited at 383 nm. These emission peaks were mainly attributed to deep level oxygen (blue-green) defect and exciton (UV) defects, respectively. The international commission on illumination (CIE) chromaticity co-ordinates, as well as co-ordinated color temperature (CCT), were estimated from the emission spectra; the values (x, y) were very close to national television system committee (NTSC) standard values of pure white emission. Photocatalytic activity (PCA) of ZNPs prepared was studied in detail. The ZNPs prepared using BT latex showed highest PCA under sunlight. The results demonstrate that the synthesized product could be quite useful for display applications as well as photocatalyst. Further, the material prepared by this route was found to be non-toxic, environmentally friendly and could be a potential alternative to economical routes.

Anomalous fast dynamics of adsorbate overlayers near an incommensurate structural transition.

PubMed

Granato, Enzo; Ying, S C; Elder, K R; Ala-Nissila, T

2013-09-20

We investigate the dynamics of a compressively strained adsorbed layer on a periodic substrate via a simple two-dimensional model that admits striped and hexagonal incommensurate phases. We show that the mass transport is superfast near the striped-hexagonal phase boundary and in the hexagonal phase. For an initial step profile separating a bare substrate region (or "hole") from the rest of a striped incommensurate phase, the superfast domain wall dynamics leads to a bifurcation of the initial step profile into two interfaces or profiles propagating in opposite directions with a hexagonal phase in between. This yields a theoretical understanding of the recent experiments for the Pb/Si(111) system.

Zn-dopant dependent defect evolution in GaN nanowires

NASA Astrophysics Data System (ADS)

Yang, Bing; Liu, Baodan; Wang, Yujia; Zhuang, Hao; Liu, Qingyun; Yuan, Fang; Jiang, Xin

2015-10-01

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101&cmb.macr;3), (101&cmb.macr;1) and (202&cmb.macr;1), as well as Type I stacking faults (...ABABC&cmb.b.line;BCB...), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (...ABABAC&cmb.b.line;BA...) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires.Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101&cmb.macr;3), (101&cmb.macr;1) and (202&cmb.macr;1), as well as Type I stacking faults (...ABABC&cmb.b.line;BCB...), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (...ABABAC&cmb.b.line;BA...) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires. Electronic supplementary information (ESI) available: HRTEM image of undoped GaN nanowires and first-principles calculations of Zn doped WZ-GaN. See DOI: 10.1039/c5nr04771d

Simulation of Young’s moduli for hexagonal ZnO [0 0 0 1]-oriented nanowires: first principles and molecular mechanical calculations

NASA Astrophysics Data System (ADS)

Bandura, Andrei V.; Evarestov, Robert A.; Lukyanov, Sergey I.; Piskunov, Sergei; Zhukovskii, Yuri F.

2017-08-01

Morphologically reproducible wurtzite-structured zinc oxide nanowires (ZnO NWs) can be synthesized by different methods. Since ZnO NWs have been found to possess piezoelectricity, a comprehensive study of their mechanical properties, e.g. deformations caused by external compression or stretching, is one of the actual tasks of this paper. We have calculated wurtzite-structured [0 0 0 1]-oriented ZnO NWs whose diameters have been varied within 1-5 nm and 1-20 nm ranges when using either ab initio (hybrid DFT-LCAO) or force-field (molecular mechanical) methods, respectively (the minimum diameter d NW of experimentally synthesized NWs has been estimated on average to be ~20 nm). When using both chosen calculation approaches, the values of Young’s moduli determined for the mentioned ranges of NW diameters have been found to be qualitatively compatible (168-169 GPa for 5 nm NW thickness), whereas results of molecular mechanical simulations on Y NW for 20 nm-thick NWs (160-162 GPa) have been qualitatively comparable with those experimentally measured along the [0 0 0 1] direction of NW loading. In all the cases, a gradual increase of the NW diameter has resulted in an asymptotic decrease of Young’s modulus consequently approaching that (Y b) of wurtzite-structured ZnO bulk along its [0 0 0 1] axis. The novelty of this study is that we combine the computation methods of quantum chemistry and molecular mechanics, while the majority of previous studies with the same aim have focused on the application of different classical molecular dynamical methods.

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

Molecular dynamics simulation of ZnO wurtzite phase under high and low pressures and temperatures

NASA Astrophysics Data System (ADS)

Chergui, Y.; Aouaroun, T.; Hadley, M. J.; Belkada, R.; Chemam, R.; Mekki, D. E.

2017-11-01

Isothermal and isobaric ensembles behaviours of ZnO wurtzite phase have been investigated, by parallel molecular dynamics method and using Buckingham potential, which contains long-range Coulomb, repulsive exponential, and attractive dispersion terms. To conduct our calculations, we have used dl_poly 4 software, under which the method is implemented. We have examined the influence of the temperature and pressure on molar volume in the ranges of 300-3000 K and 0-200 GPa. Isothermal-isobaric relationships, fluctuations, standard error, equilibrium time, molar volume and its variation versus time are predicted and analyzed. Our results are close to available experimental data and theoretical results.

Metastable phases of silver and gold in hexagonal structure

NASA Astrophysics Data System (ADS)

Jona, F.; Marcus, P. M.

2004-07-01

Metastable phases of silver and gold in hexagonal close-packed structures are investigated by means of first-principles total-energy calculations. Two different methods are employed to find the equilibrium states: determination of the minima along the hexagonal epitaxial Bain path, and direct determination of minima of the total energy by a new minimum-path procedure. Both metals have two equilibrium states at different values of the hexagonal axial ratio c/a. For both metals, the elastic constants show that the high-c/a states are stable, hence, since the ground states are face-centred cubic, these states represent hexagonal close-packed metastable phases. The elastic constants of the low-c/a states show that they are unstable.

Polarization-free integrated gallium-nitride photonics

PubMed Central

Bayram, C.; Liu, R.

2017-01-01

Gallium Nitride (GaN) materials are the backbone of emerging solid state lighting. To date, GaN research has been primarily focused on hexagonal phase devices due to the natural crystallization. This approach limits the output power and efficiency of LEDs, particularly in the green spectrum. However, GaN can also be engineered to be in cubic phase. Cubic GaN has a lower bandgap (~200 meV) than hexagonal GaN that enables green LEDs much easily. Besides, cubic GaN has more isotropic properties (smaller effective masses, higher carrier mobility, higher doping efficiency, and higher optical gain than hexagonal GaN), and cleavage planes. Due to phase instability, however, cubic phase materials and devices have remained mostly unexplored. Here we review a new method of cubic phase GaN generation: Hexagonal-to-cubic phase transition, based on novel nano-patterning. We report a new crystallographic modelling of this hexagonal-to-cubic phase transition and systematically study the effects of nano-patterning on the GaN phase transition via transmission electron microscopy and electron backscatter diffraction experiments. In summary, silicon-integrated cubic phase GaN light emitters offer a unique opportunity for exploration in next generation photonics. PMID:29307953

Viral assembly of oriented quantum dot nanowires

NASA Astrophysics Data System (ADS)

Mao, Chuanbin; Flynn, Christine E.; Hayhurst, Andrew; Sweeney, Rozamond; Qi, Jifa; Georgiou, George; Iverson, Brent; Belcher, Angela M.

2003-06-01

The highly organized structure of M13 bacteriophage was used as an evolved biological template for the nucleation and orientation of semiconductor nanowires. To create this organized template, peptides were selected by using a pIII phage display library for their ability to nucleate ZnS or CdS nanocrystals. The successful peptides were expressed as pVIII fusion proteins into the crystalline capsid of the virus. The engineered viruses were exposed to semiconductor precursor solutions, and the resultant nanocrystals that were templated along the viruses to form nanowires were extensively characterized by using high-resolution analytical electron microscopy and photoluminescence. ZnS nanocrystals were well crystallized on the viral capsid in a hexagonal wurtzite or a cubic zinc blende structure, depending on the peptide expressed on the viral capsid. Electron diffraction patterns showed single-crystal type behavior from a polynanocrystalline area of the nanowire formed, suggesting that the nanocrystals on the virus were preferentially oriented with their [001] perpendicular to the viral surface. Peptides that specifically directed CdS nanocrystal growth were also engineered into the viral capsid to create wurtzite CdS virus-based nanowires. Lastly, heterostructured nucleation was achieved with a dual-peptide virus engineered to express two distinct peptides within the same viral capsid. This work represents a genetically controlled biological synthesis route to a semiconductor nanoscale heterostructure.

Viral assembly of oriented quantum dot nanowires.

PubMed

Mao, Chuanbin; Flynn, Christine E; Hayhurst, Andrew; Sweeney, Rozamond; Qi, Jifa; Georgiou, George; Iverson, Brent; Belcher, Angela M

2003-06-10

The highly organized structure of M13 bacteriophage was used as an evolved biological template for the nucleation and orientation of semiconductor nanowires. To create this organized template, peptides were selected by using a pIII phage display library for their ability to nucleate ZnS or CdS nanocrystals. The successful peptides were expressed as pVIII fusion proteins into the crystalline capsid of the virus. The engineered viruses were exposed to semiconductor precursor solutions, and the resultant nanocrystals that were templated along the viruses to form nanowires were extensively characterized by using high-resolution analytical electron microscopy and photoluminescence. ZnS nanocrystals were well crystallized on the viral capsid in a hexagonal wurtzite or a cubic zinc blende structure, depending on the peptide expressed on the viral capsid. Electron diffraction patterns showed single-crystal type behavior from a polynanocrystalline area of the nanowire formed, suggesting that the nanocrystals on the virus were preferentially oriented with their [001] perpendicular to the viral surface. Peptides that specifically directed CdS nanocrystal growth were also engineered into the viral capsid to create wurtzite CdS virus-based nanowires. Lastly, heterostructured nucleation was achieved with a dual-peptide virus engineered to express two distinct peptides within the same viral capsid. This work represents a genetically controlled biological synthesis route to a semiconductor nanoscale heterostructure.

Synthesis and excellent field emission properties of three-dimensional branched GaN nanowire homostructures

NASA Astrophysics Data System (ADS)

Li, Enling; Sun, Lihe; Cui, Zhen; Ma, Deming; Shi, Wei; Wang, Xiaolin

2016-10-01

Three-dimensional branched GaN nanowire homostructures have been synthesized on the Si substrate via a two-step approach by chemical vapor deposition. Structural characterization reveals that the single crystal GaN nanowire trunks have hexagonal wurtzite characteristics and grow along the [0001] direction, while the homoepitaxial single crystal branches grow in a radial direction from the six-sided surfaces of the trunks. The field emission measurements demonstrate that the branched GaN nanowire homostructures have excellent field emission properties, with low turn-on field at 2.35 V/μm, a high field enhancement factor of 2938, and long emission current stability. This indicates that the present branched GaN nanowire homostructures will become valuable for practical field emission applications.

Morphology-controllable of Sn doped ZnO nanorods prepared by spray pyrolysis for transparent electrode application

NASA Astrophysics Data System (ADS)

Hameed, M. Shahul; Princice, J. Joseph; Babu, N. Ramesh; Zahirullah, S. Syed; Deshmukh, Sampat G.; Arunachalam, A.

2018-05-01

Transparent conductive Sn doped ZnO nanorods have been deposited at various doping level by spray pyrolysis technique on glass substrate. The structural, surface morphological and optical properties of these films have been investigated with the help of X-ray diffraction (XRD), scanning electron microscope (SEM), atomic force microscope (AFM) and UV-Vis spectrophotometer respectively. XRD patterns revealed a successful high quality growth of single crystal ZnO nanorods with hexagonal wurtzite structure having (002) preferred orientation. The scanning electron microscope (SEM) image of the prepared films exposed the uniform distribution of Sn doped ZnO nanorod shaped grains. All these films were highly transparent in the visible region with average transmittance of 90%.

X-ray peak profile analysis of zinc oxide nanoparticles formed by simple precipitation method

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick Joaquin; Magdaluyo, Eduardo

2017-12-01

Zinc oxide (ZnO) nanoparticles were successfully synthesized by a simple precipitation method using zinc acetate and tetramethylammonium hydroxide. The synthesized ZnO nanoparticles were characterized by X-ray Diffraction analysis (XRD) and Transmission Electron Microscopy (TEM). The XRD result revealed a hexagonal wurtzite structure for the ZnO nanoparticles. The TEM image showed spherical nanoparticles with an average crystallite size of 6.70 nm. For x-ray peak analysis, Williamson-Hall (W-H) and Size-Strain Plot (SSP) methods were applied to examine the effects of crystallite size and lattice strain on the peak broadening of the ZnO nanoparticles. Based on the calculations, the estimated crystallite sizes and lattice strains obtained are in good agreement with each other.

Morphology- and orientation-controlled gallium arsenide nanowires on silicon substrates.

PubMed

Ihn, Soo-Ghang; Song, Jong-In; Kim, Tae-Wook; Leem, Dong-Seok; Lee, Takhee; Lee, Sang-Geul; Koh, Eui Kwan; Song, Kyung

2007-01-01

GaAs nanowires were epitaxially grown on Si(001) and Si(111) substrates by using Au-catalyzed vapor-liquid-solid (VLS) growth in a solid source molecular beam epitaxy system. Scanning electron microscopy analysis revealed that almost all the GaAs nanowires were grown along <111> directions on both Si substrates for growth conditions investigated. The GaAs nanowires had a very uniform diameter along the growth direction. X-ray diffraction data and transmission electron microscopy analysis revealed that the GaAs<111> nanowires had a mixed crystal structure of the hexagonal wurtzite and the cubic zinc-blende. Current-voltage characteristics of junctions formed by the epitaxially grown GaAs nanowires and the Si substrate were investigated by using a current-sensing atomic force microscopy.

Synthesis and characterization of Ni doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Tamgadge, Y. S.; Gedam, P. P.; Ganorkar, R. P.; Mahure, M. A.; Pahurkar, V. G.; Muley, G. G.

2018-05-01

In this paper, we present synthesis of L-valine assisted surface modification of Ni doped ZnO nanoparticles (NPs) using chemical precipitation method. Samples were calcined at 500oC for 2h. Uncalcined and calcined samples were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM) and ultraviolet-visible (UV-vis) spectroscopy. Ni doped ZnO NPs with average particle size of 8 nm have been successfully obtained using L-valine as surface modifying agent. Increase in the particle size was observed after the calcination. XRD and TEM studies confirmed the purity, surface morphology and hexagonal wurtzite crystal structure of ZnO NPs. UV-vis spectroscopy indicated the blue shift of excitons absorption wavelength and surface modification by L-valine.

On the possibility of room temperature ferromagnetism on chunk-shape BaSnO3/ZnO core/shell nanostructures

NASA Astrophysics Data System (ADS)

Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Core/shell BaSnO3/ZnO (BS-ZO) nanostructures were prepared by oxalate precipitation method and wet-chemical method. BaSnO3 (BSO) cubic perovskite structure and ZnO hexagonal wurtzite structure were confirmed by X-ray diffraction (XRD). The crystallite sizes is 23 nm, 29 nm and 27 nm for BSO, ZnO and BS-ZO, respectively. Chunk-shape and cuboids morphology observed from scanning electron microscopy (SEM) analysis. The magnetic properties were studied by VSM for bare and core-shell nano systems and the room temperature ferromagnetism observed for core-shell nanostructures. The BSO/ZnO shows enhanced coercivity and saturated magnetization as compared with BSO and ZnO nanostructures.

The effect of induced strains on photoluminescence properties of ZnO nanostructures grown by thermal evaporation method

NASA Astrophysics Data System (ADS)

Arjmand, Yaser; Eshghi, Hosein

2016-03-01

In this paper, ZnO nanostructures have been synthesized by thermal evaporation process using metallic zinc powder in the presence of oxygen on p-Si (100) at different distances from the boat. The structural and optical characterizations have been carried out. The morphological study shows various shape nanostructures. XRD data indicate that all samples have a polycrystalline wurtzite hexagonal structure in such a way that the closer sample has a preferred orientation along (101) while the ones farther are grown along (002) direction. From the structural and optical data analysis, we found that the induced strains are the main parameter controlling the UV/green peaks ratios in the PL spectra of the studied samples.

Micellar hexagonal phases in lyotropic liquid crystals

NASA Astrophysics Data System (ADS)

Amaral, L. Q.; Gulik, A.; Itri, R.; Mariani, P.

1992-09-01

The hexagonal cell parameter a of the system sodium dodecyl lauryl sulfate and water as a function of volume concentration cv in phase Hα shows the functional behavior expected for micelles of finite length: a~c-1/3v. The interpretation of x-ray data based on finite micelles leads to an alternative description of the hexagonal phase Hα: spherocylindrical micelles of constant radius with length that may grow along the range of the Hα phase. Results are compared with recent statistical-mechanical calculations for the isotropic I-Hα transition. The absence of diffraction in the direction perpendicular to the hexagonal plane is ascribed to polydispersity of micellar length, which also is a necessary condition for the occurrence of direct I-Hα transitions.

Tartaric acid assisted hydrothermal synthesis of different flower-like ZnO hierarchical architectures with tunable optical and oxygen vacancy-induced photocatalytic properties

NASA Astrophysics Data System (ADS)

Liu, Tingzhi; Li, Yangyang; Zhang, Hao; Wang, Min; Fei, Xiaoyan; Duo, Shuwang; Chen, Ying; Pan, Jian; Wang, Wei

2015-12-01

Different flower-like ZnO hierarchical architectures were prepared by tartaric acid assisted hydrothermal synthesis, especially four flower-like ZnO nanostructures were obtained simultaneously under the same reaction condition. The cauliflower-like ZnO is assembled by spherical shaped nanoparticles, and the chrysanthemum-like and other flower-like ZnO nanostructures are assembled by hexagonal rods/prisms with from planar to semi-pyramid, and to pyramid tips. TA acts as a capping agent and structure-directing agent during the synthesis. All ZnO possess the hexagonal wurtzite structure. The PL spectra can be tuned by changing TA concentration. XRD, PL and Raman spectra confirmed that oxygen vacancies mainly come from the ZnO surface. The flower-like samples of 1:4.5 and 1:3 with the largest aspect ratios have highest photocatalytic performance. They decompose 85% MB within 60 min. Combining PL Gaussian fitting with K, the higher content of oxygen vacancy is, the higher photocatalytic activity is. The enhanced photocatalytic performance is mainly induced by oxygen vacancy of ZnO. The possible formation mechanism, growth and change process of flower-like ZnO were proposed.

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

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.

Phonons and superconductivity in fcc and dhcp lanthanum

NASA Astrophysics Data System (ADS)

Baǧcı, S.; Tütüncü, H. M.; Duman, S.; Srivastava, G. P.

2010-04-01

We have investigated the structural and electronic properties of lanthanum in the face-centered-cubic (fcc) and double hexagonal-close-packed (dhcp) phases using a generalized gradient approximation of the density functional theory and the ab initio pseudopotential method. It is found that double hexagonal-close-packed is the more stable phase for lanthanum. Differences in the density of states at the Fermi level between these two phases are pointed out and discussed in detail. Using the calculated lattice constant and electronic band structure for both phases, a linear response approach based on the density functional theory has been applied to study phonon modes, polarization characteristics of phonon modes, and electron-phonon interaction. Our phonon results show a softening behavior of the transverse acoustic branch along the Γ-L direction and the Γ-M direction for face-centered-cubic and double hexagonal-close-packed phases, respectively. Thus, the transverse-phonon linewidth shows a maximum at the zone boundary M(L) for the double hexagonal-close-packed phase (face-centered-cubic phase), where the transverse-phonon branch exhibits a dip. The electron-phonon coupling parameter λ is found to be 0.97 (1.06) for the double hexagonal-close-packed phase (face-centered-cubic phase), and the superconducting critical temperature is estimated to be 4.87 (dhcp) and 5.88 K (fcc), in good agreement with experimental values of around 5.0 (dhcp) and 6.0 K (fcc). A few superconducting parameters for the double hexagonal-close-packed phase have been calculated and compared with available theoretical and experimental results. Furthermore, the calculated superconducting parameters for both phases are compared between each other in detail.

Zn-dopant dependent defect evolution in GaN nanowires.

PubMed

Yang, Bing; Liu, Baodan; Wang, Yujia; Zhuang, Hao; Liu, Qingyun; Yuan, Fang; Jiang, Xin

2015-10-21

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101¯3), (101¯1) and (202¯1), as well as Type I stacking faults (…ABABCBCB…), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (…ABABACBA…) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires.

Growth and characterization of dilute nitride GaN{sub x}P{sub 1−x} nanowires and GaN{sub x}P{sub 1−x}/GaN{sub y}P{sub 1−y} core/shell nanowires on Si (111) by gas source molecular beam epitaxy

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

Sukrittanon, S.; Kuang, Y. J.; Dobrovolsky, A.

2014-08-18

We have demonstrated self-catalyzed GaN{sub x}P{sub 1−x} and GaN{sub x}P{sub 1−x}/GaN{sub y}P{sub 1−y} core/shell nanowire growth by gas-source molecular beam epitaxy. The growth window for GaN{sub x}P{sub 1−x} nanowires was observed to be comparable to that of GaP nanowires (∼585 °C to ∼615 °C). Transmission electron microscopy showed a mixture of cubic zincblende phase and hexagonal wurtzite phase along the [111] growth direction in GaN{sub x}P{sub 1−x} nanowires. A temperature-dependent photoluminescence (PL) study performed on GaN{sub x}P{sub 1−x}/GaN{sub y}P{sub 1−y} core/shell nanowires exhibited an S-shape dependence of the PL peaks. This suggests that at low temperature, the emission stems from N-related localizedmore » states below the conduction band edge in the shell, while at high temperature, the emission stems from band-to-band transition in the shell as well as recombination in the GaN{sub x}P{sub 1−x} core.« less

A Highly-Sensitive Picric Acid Chemical Sensor Based on ZnO Nanopeanuts.

PubMed

Ibrahim, Ahmed A; Tiwari, Preeti; Al-Assiri, M S; Al-Salami, A E; Umar, Ahmad; Kumar, Rajesh; Kim, S H; Ansari, Z A; Baskoutas, S

2017-07-13

Herein, we report a facile synthesis, characterization, and electrochemical sensing application of ZnO nanopeanuts synthesized by a simple aqueous solution process and characterized by various techniques in order to confirm the compositional, morphological, structural, crystalline phase, and optical properties of the synthesized material. The detailed characterizations revealed that the synthesized material possesses a peanut-shaped morphology, dense growth, and a wurtzite hexagonal phase along with good crystal and optical properties. Further, to ascertain the useful properties of the synthesized ZnO nanopeanut as an excellent electron mediator, electrochemical sensors were fabricated based on the form of a screen printed electrode (SPE). Electrochemical and current-voltage characteristics were studied for the determination of picric acid sensing characteristics. The electrochemical sensor fabricated based on the SPE technique exhibited a reproducible and reliable sensitivity of ~1.2 μA/mM (9.23 μA·mM -1 ·cm -2 ), a lower limit of detection at 7.8 µM, a regression coefficient ( R ²) of 0.94, and good linearity over the 0.0078 mM to 10.0 mM concentration range. In addition, the sensor response was also tested using simple I-V techniques, wherein a sensitivity of 493.64 μA·mM -1 ·cm -2 , an experimental Limit of detection (LOD) of 0.125 mM, and a linear dynamic range (LDR) of 1.0 mM-5.0 mM were observed for the fabricated picric acid sensor.

A Highly-Sensitive Picric Acid Chemical Sensor Based on ZnO Nanopeanuts

PubMed Central

Ibrahim, Ahmed A.; Tiwari, Preeti; Al-Assiri, M. S.; Al-Salami, A. E.; Umar, Ahmad; Kumar, Rajesh; Kim, S. H.; Ansari, Z. A.; Baskoutas, S.

2017-01-01

Herein, we report a facile synthesis, characterization, and electrochemical sensing application of ZnO nanopeanuts synthesized by a simple aqueous solution process and characterized by various techniques in order to confirm the compositional, morphological, structural, crystalline phase, and optical properties of the synthesized material. The detailed characterizations revealed that the synthesized material possesses a peanut-shaped morphology, dense growth, and a wurtzite hexagonal phase along with good crystal and optical properties. Further, to ascertain the useful properties of the synthesized ZnO nanopeanut as an excellent electron mediator, electrochemical sensors were fabricated based on the form of a screen printed electrode (SPE). Electrochemical and current-voltage characteristics were studied for the determination of picric acid sensing characteristics. The electrochemical sensor fabricated based on the SPE technique exhibited a reproducible and reliable sensitivity of ~1.2 μA/mM (9.23 μA·mM−1·cm−2), a lower limit of detection at 7.8 µM, a regression coefficient (R2) of 0.94, and good linearity over the 0.0078 mM to 10.0 mM concentration range. In addition, the sensor response was also tested using simple I-V techniques, wherein a sensitivity of 493.64 μA·mM−1·cm−2, an experimental Limit of detection (LOD) of 0.125 mM, and a linear dynamic range (LDR) of 1.0 mM–5.0 mM were observed for the fabricated picric acid sensor. PMID:28773151

Atomistic Interface Dynamics in Sn-Catalyzed Growth of Wurtzite and Zinc-Blende ZnO Nanowires.

PubMed

Jia, Shuangfeng; Hu, Shuaishuai; Zheng, He; Wei, Yanjie; Meng, Shuang; Sheng, Huaping; Liu, Huihui; Zhou, Siyuan; Zhao, Dongshan; Wang, Jianbo

2018-06-11

Unraveling the phase selection mechanisms of semiconductor nanowires (NWs) is critical for the applications in future advanced nanodevices. In this study, the atomistic vapor-solid-liquid growth processes of Sn-catalyzed wurtzite (WZ) and zinc blende (ZB) ZnO are directly revealed based on the in situ transmission electron microscopy. The growth kinetics of WZ and ZB crystal phases in ZnO appear markedly different in terms of the NW-droplet interface, whereas the nucleation site as determined by the contact angle ϕ between the seed particle and the NW is found to be crucial for tuning the NW structure through combined experimental and theoretical investigations. These results offer an atomic-scale view into the dynamic growth process of ZnO NW, which has implications for the phase-controllable synthesis of II-VI compounds and heterostructures with tunable band structures.

Field-assisted sintering and phase transition of ZnS-CaLa 2S 4 composite ceramics

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

Li, Yiyu; Zhang, Lihua; Kisslinger, Kim

In the present study, zinc sulfide (ZnS) and calcium lanthanum sulfide (CaLa 2S 4, CLS) composite ceramics were consolidated via field-assisted sintering of 0.5ZnS-0.5CLS (volume ratio) composite powders at 800–1050 °C. Through sintering curve analyses and microstructural observations, it was determined that between 800 and 1000 °C, grain boundary diffusion was the main mechanism controlling grain growth for both the ZnS and CLS phases within the composite ceramics. The consolidated composite ceramics were determined to be composed of sphalerite ZnS, wurtzite ZnS and thorium phosphate CLS. The sphalerite-wurtzite phase transition of ZnS was further demonstrated to be accompanied by themore » formation of stacking faults and twins in the ceramics. Furthermore, it was also found that the addition of the CLS phase improved the indentation hardness of the ceramics relative to pure ZnS by homogeneous dispersion of ZnS and CLS small grains.« less

Field-assisted sintering and phase transition of ZnS-CaLa 2S 4 composite ceramics

DOE PAGES

Li, Yiyu; Zhang, Lihua; Kisslinger, Kim; ...

2017-07-17

In the present study, zinc sulfide (ZnS) and calcium lanthanum sulfide (CaLa 2S 4, CLS) composite ceramics were consolidated via field-assisted sintering of 0.5ZnS-0.5CLS (volume ratio) composite powders at 800–1050 °C. Through sintering curve analyses and microstructural observations, it was determined that between 800 and 1000 °C, grain boundary diffusion was the main mechanism controlling grain growth for both the ZnS and CLS phases within the composite ceramics. The consolidated composite ceramics were determined to be composed of sphalerite ZnS, wurtzite ZnS and thorium phosphate CLS. The sphalerite-wurtzite phase transition of ZnS was further demonstrated to be accompanied by themore » formation of stacking faults and twins in the ceramics. Furthermore, it was also found that the addition of the CLS phase improved the indentation hardness of the ceramics relative to pure ZnS by homogeneous dispersion of ZnS and CLS small grains.« less

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.

Discovery of a hexagonal ultradense hydrous phase in (Fe,Al)OOH

NASA Astrophysics Data System (ADS)

Zhang, Li; Yuan, Hongsheng; Meng, Yue; Mao, Ho-kwang

2018-03-01

A deep lower-mantle (DLM) water reservoir depends on availability of hydrous minerals which can store and transport water into the DLM without dehydration. Recent discoveries found hydrous phases AlOOH (Z = 2) with a CaCl2-type structure and FeOOH (Z = 4) with a cubic pyrite-type structure stable under the high-pressure–temperature (P-T) conditions of the DLM. Our experiments at 107–136 GPa and 2,400 K have further demonstrated that (Fe,Al)OOH is stabilized in a hexagonal lattice. By combining powder X-ray-diffraction techniques with multigrain indexation, we are able to determine this hexagonal hydrous phase with a = 10.5803(6) Å and c = 2.5897(3) Å at 110 GPa. Hexagonal (Fe,Al)OOH can transform to the cubic pyrite structure at low T with the same density. The hexagonal phase can be formed when δ-AlOOH incorporates FeOOH produced by reaction between water and Fe, which may store a substantial quantity of water in the DLM.

Thermal annealing evolution to physical properties of ZnS thin films as buffer layer for solar cell applications

NASA Astrophysics Data System (ADS)

Kaushalya; Patel, S. L.; Purohit, A.; Chander, S.; Dhaka, M. S.

2018-07-01

The conventional CdS window layer in solar cells is found to be hazardous for the environment due to toxic nature of the cadmium. Therefore, in order to seek an alternative, a study on effect of post-annealing treatment on physical properties of e-beam evaporated ZnS thin films has been carried out where films of thickness 150 nm were deposited on glass and indium tin oxide (ITO) substrates. The post annealing treatment was performed in air atmosphere within the temperature range from 100 °C to 500 °C. X-ray diffraction analysis reveals that the films on glass substrate are found to be amorphous at low temperature annealing (≤300 °C) while have α-ZnS hexagonal phase (wurtzite structure) at higher annealing. The patterns also show that the possibility of oxidation is increased significantly at temperature 500 °C which leads to decrease in direct band gap from 3.28 eV to 3.18 eV except films annealed at 300 °C (i.e. 3.39 eV). The maximum transmittance is found about 95% as a result of Doppler blue shift while electrical analysis indicated almost ohmic behavior between current and voltage and surface roughness is increased with post-annealing treatment.

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.

Prospects and limitations for p-type doping in boron nitride polymorphs

NASA Astrophysics Data System (ADS)

Weston, Leigh; van de Walle, Chris G.

Using first-principles calculations, we examine the potential for p-type doping of BN polymorphs via substitutional impurities. Based on density functional theory with a hybrid functional, our calculations reveal that group-IV elements (C, Si) substituting at the N site result in acceptor levels that are more than 1 eV above the valence-band maximum in all of the BN polymorphs, and hence far too deep to allow for p-type doping. On the other hand, group-II elements (Be, Mg) substituting at the B site lead to shallower acceptor levels. However, for the ground-state hexagonal phase (h-BN), we show that p-type doping at the B site is inhibited by the formation of hole polarons. Our calculations reveal that hole localization is intrinsic to sp2 bonded h-BN, and this places fundamental limits on hole conduction in this material. In contrast, the sp3 bonded wurtzite (w-BN) and cubic (c-BN) polymorphs are capable of forming shallow acceptor levels. For Be dopants, the acceptor ionization energies are 0.31 eV and 0.24 eV for w-BN and c-BN, respectively; these values are only slightly larger than the ionization energy of the Mg acceptor in GaN. This work was supported by NSF.

One-pot ultrasonic-assisted method for preparation of Ag/AgCl sensitized ZnO nanostructures as visible-light-driven photocatalysts

NASA Astrophysics Data System (ADS)

Naghizadeh-Alamdari, Sara; Habibi-Yangjeh, Aziz; Pirhashemi, Mahsa

2015-02-01

Ultrasonic-assisted method was applied for preparation of Ag/AgCl sensitized ZnO nanostructures by one-pot procedure in water without using any post preparation treatments. The resultant nanocomposites were characterized by XRD, EDX, SEM, DRS, XPS, BET, and PL techniques. In the nanocomposites, ZnO and AgCl have wurtzite hexagonal and cubic crystalline phases, respectively and their surface morphologies remarkably change with increasing mole fraction of silver chloride. The EDX and XPS techniques show that the prepared samples are extremely pure. Ability of the nanocomposites for absorption of visible-light irradiation enhanced with increasing AgCl content. Photocatalytic examination of the nanocomposites was carried out using aqueous solution of methylene blue under visible-light irradiation. The degradation rate constant on the nancomposite rapidly increases with mole fraction of silver chloride up to 0.237. Enhancing activity of the nanocomposite was attributed to its ability for absorbing visible light and separation of electron-hole pairs. Furthermore, influence of ultrasonic irradiation time, calcination temperature, catalyst weight, pH of solution, and scavengers of reactive species on the degradation activity was investigated and the results were discussed. Finally, the photocatalyst has good activity after five successive cycles.

A novel technique based on a plasma focus device for nano-porous gallium nitride formation on P-type silicon

NASA Astrophysics Data System (ADS)

Sharifi Malvajerdi, S.; Salar Elahi, A.; Habibi, M.

2017-04-01

A new deposition formation was observed with a Mather-type Plasma Focus Device (MPFD). MPFD was unitized to fabricate porous Gallium Nitride (GaN) on p-type Silicon (Si) substrate with a (100) crystal orientation for the first time in a deposition process. GaN was deposited on Si with 4 and 7 shots. The samples were subjected to a 3 phase annealing procedure. First, the semiconductors were annealed in the PFD with nitrogen plasma shots after their deposition. Second, a thermal chemical vapor deposition annealed the samples for 1 h at 1050 °C by nitrogen gas at a pressure of 1 Pa. Finally, an electric furnace annealed the samples for 1 h at 1150 °C with continuous flow of nitrogen. Porous GaN structures were observed by Field emission scanning electron microscopy and atomic force microscopy. Furthermore, X-Ray diffraction analysis was carried out to determine the crystallinity of GaN after the samples were annealed. Energy-Dispersive X-Ray Spectroscopy indicated the amount of gallium, nitrogen, and oxygen due to the self-oxidation of the samples. Photoluminescence spectroscopy revealed emissions at 2.94 eV and 3.39 eV, which shows that hexagonal wurtzite crystal structures were formed.

Passive optical limiting studies of nanostructured Cu doped ZnO-PVA composite thin films

NASA Astrophysics Data System (ADS)

Tamgadge, Y. S.; Sunatkari, A. L.; Talwatkar, S. S.; Pahurkar, V. G.; Muley, G. G.

2016-01-01

We prepared undoped and Cu doped ZnO semiconducting nanoparticles (NPs) by chemical co-precipitation method and obtained Cu doped ZnO-polyvinyl alcohol (PVA) nanocomposite thin films by spin coating to investigate third order nonlinear optical and optical limiting properties under cw laser excitation. Powder samples of NPs were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive spectroscopy, transmission electron microscopy, ultraviolet-visible (UV-vis) and Fourier transform infrared spectroscopy. XRD pattern and FE-SEM micrograph revealed the presence of hexagonal wurtzite phase ZnO NPs having uniform morphology with average particle size of 20 nm. The presence of excitons and absorption peaks in the range 343-360 nm, revealed by UV-vis study, were attributed to excitons in n = 1 quantum state. Third order NLO properties of all composite thin films were investigated by He-Ne continuous wave (cw) laser of wavelength 632.8 nm using Z-scan technique. Thermally stimulated enhanced values of nonlinear refraction and absorption coefficients were obtained which may be attributed to self-defocusing effect, reverse saturable absorption, weak free carrier absorption and surface states properties originated from thermo optic effect. Optical limiting properties have been studied using cw diode laser of wavelength 808 nm and results are presented.

Structural and superionic properties of Ag+-rich ternary phases within the AgI-MI2 systems

NASA Astrophysics Data System (ADS)

Hull, S.; Keen, D. A.; Berastegui, P.

2002-12-01

The effects of temperature on the crystal structure and ionic conductivity of the compounds Ag2CdI4, Ag2ZnI4 and Ag3SnI5 have been investigated by powder diffraction and impedance spectroscopy techniques. varepsilon-Ag2CdI4 adopts a tetragonal crystal structure under ambient conditions and abrupt increases in the ionic conductivity are observed at 407(2), 447(3) and 532(4) K, consistent with the sequence of transitions varepsilon-Ag2CdI 4 rightarrow beta-Ag2CdI 4 + beta-AgI + CdI2 rightarrow alpha-AgI + CdI2 rightarrow alpha-Ag2CdI4. Hexagonal beta-Ag2CdI4 is metastable at ambient temperature. The ambient-temperature beta phase of Ag2ZnI4 is orthorhombic and the structures of beta-Ag2CdI4 and beta-Ag2ZnI4 can, respectively, be considered as ordered derivatives of the wurtzite (beta) and zincblende (gamma) phases of AgI. On heating Ag2ZnI4, there is a 12-fold increase in ionic conductivity at 481(1) K and a further eightfold increase at 542(3) K. These changes result from decomposition of beta-Ag2ZnI4 into alpha-AgI + ZnI2, followed by the appearance of superionic alpha-Ag2ZnI4 at the higher temperature. The hexagonal crystal structure of alpha-Ag2ZnI4 is a dynamically disordered counterpart to the beta modification. Ag3SnI5 is only stable at temperatures in excess of 370(3) K and possesses a relatively high ionic conductivity (sigma approx 0.19Omega-1 cm-1 at 420 K) due to dynamic disorder of the Ag+ and Sn2+ within a cubic close packed I- sublattice. The implications of these findings for the wider issue of high ionic conductivity in AgI-MI2 compounds is discussed, with reference to recently published studies of Ag4PbI6 and Ag2HgI4 and new data for the temperature dependence of the ionic conductivity of the latter compound.

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.

Core-level photoabsorption study of defects and metastable bonding configurations in boron nitride

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

Jimenez, I.; Jankowski, A.F.; Terminello, L.J.

1997-04-01

Boron nitride is an interesting material for technological applications and for fundamental solid state physics investigations. It is a compound isoelectronic with carbon and, like carbon can possess sp{sup 2} and sp{sup 3} bonded phases resembling graphite and diamond. BN crystallizes in the sp{sup 2}-bonded hexagonal (h-BN), rhombohedral (r-BN) and turbostratic phases, and in the sp{sup 3}-bonded cubic (c-BN) and wurtzite (w-BN) phases. A new family of materials is obtained when replacing C-C pairs in graphite with isoelectronic B-N pairs, resulting in C{sub 2}BN compounds. Regarding other boron compounds, BN is exceptional in the sense that it has standard two-centermore » bonds with conventional coordination numbers, while other boron compounds (e.g. B{sub 4}C) are based on the boron icosahedron unit with three-center bonds and high coordination numbers. The existence of several allotropic forms and fullerene-like structures for BN suggests a rich variety of local bonding and poses the questions of how this affects the local electronic structure and how the material accommodates the stress induced in the transition regions between different phases. One would expect point defects to play a crucial role in stress accommodation, but these must also have a strong influence in the electronic structure, since the B-N bond is polar and a point defect will thus be a charged structure. The study of point defects in relationship to the electronic structure is of fundamental interest in these materials. Recently, the authors have shown that Near-Edge X-ray Absorption Fine Structure (NEXAFS) is sensitive to point defects in h-BN, and to the formation of metastable phases even in amorphous materials. This is significant since other phase identification techniques like vibrational spectroscopies or x-ray diffraction yield ambiguous results for nanocrystalline and amorphous samples. Serendipitously, NEXAFS also combines chemical selectivity with point defect sensitivity.« less

Defect Engineering and Phase Junction Architecture of Wide-Bandgap ZnS for Conflicting Visible Light Activity in Photocatalytic H₂ Evolution.

PubMed

Fang, Zhibin; Weng, Sunxian; Ye, Xinxin; Feng, Wenhui; Zheng, Zuyang; Lu, Meiliang; Lin, Sen; Fu, Xianzhi; Liu, Ping

2015-07-01

ZnS is among the superior photocatalysts for H2 evolution, whereas the wide bandgap restricts its performance to only UV region. Herein, defect engineering and phase junction architecture from a controllable phase transformation enable ZnS to achieve the conflicting visible-light-driven activities for H2 evolution. On the basis of first-principle density functional theory calculations, electron spin resonance and photoluminescence results, etc., it is initially proposed that the regulated sulfur vacancies in wurtzite phase of ZnS play the key role of photosensitization units for charge generation in visible light and active sites for effective electron utilization. The symbiotic sphalerite-wurtzite phase junctions that dominate the charge-transfer kinetics for photoexciton separation are the indispensable configuration in the present systems. Neither ZnS samples without phase junction nor those without enough sulfur vacancies conduct visible-light photocatalytic H2 evolution, while the one with optimized phase junctions and maximum sulfur vacancies shows considerable photocatalytic activity. This work will not only contribute to the realization of visible light photocatalysis for wide-bandgap semiconductors but also broaden the vision on the design of highly efficient transition metal sulfide photocatalysts.

The role of annealing temperature variation on ZnO nanorods array deposited on TiO2 seed layer

NASA Astrophysics Data System (ADS)

Asib, N. A. M.; Aadila, A.; Afaah, A. N.; Rusop, M.; Khusaimi, Z.

2018-05-01

Seed layer of Titanium dioxide (TiO2) by sol-gel spin coating technique were coated on glass substrate to grow Zinc oxide nanorods (ZNR) by solution-immersion method. The fabricated ZNR were annealed at various temperatures ranged from 400 to 600° C. FESEM images revealed that smaller ZNR were densely grown at optimum temperature of 450 and 500°C. Meanwhile, for all samples a dominant (0 0 2) diffraction peak of ZNR recorded by XRD patterns was at 34.4° which corresponding to hexagonal ZNR with a wurtzite structure. UV-Vis absorbance spectra showed the maximum absorption properties at UV region were detected at 450 and 500°C. The samples also showed high absorbance values at visible region.

Synthesis and characterization of luminescent aluminium selenide nanocrystals

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

Balitskii, O.A., E-mail: balitskii@electronics.wups.lviv.ua; Demchenko, P.Yu.; Mijowska, E.

Highlights: ► Synthesis procedure of size and sharp controlled Al{sub 2}Se{sub 3} nanocrystals is introduced. ► Obtained nanoparticles are highly crystalline of hexagonal wurtzite type. ► Colloidal Al{sub 2}Se{sub 3} nanocrystals are highly luminescent in the near UV spectral region. ► They can be implemented in light emitters/collectors, concurring with II–VI nanodots. -- Abstract: We propose the synthesis and characterization of colloidal aluminium selenide nanocrystals using trioctylphosphine as a solvent. The nanoparticles have several absorption bands in the spectral region 330–410 nm and are bright UV-blue luminescent, which is well demanded in light collecting and emitting devices, e.g. for tuningmore » their spectral characteristics to higher energy solar photons.« less

Optical Properties of CdS Nanobelts and Nanosaws Synthesized by Thermal Evaporation Method

NASA Astrophysics Data System (ADS)

Peng, Zhi-wei; Zou, Bing-suo

2012-04-01

By a simple one-step H2-assisted thermal evaporation method, high quality CdS nanostructures have been successfully fabricated on Au coated Si substrates in large scale. The as-synthesized CdS nanostructures consisted of sword-like nanobelts and toothed nanosaws with a single-crystal hexagonal wurtzite structure. The deposition temperature played an important role in determining the size and morphology of the CdS nanostructures. A combination of vapor-liquid-solid and vapor-solid growth mechanisms were proposed to interpret the formation of CdS nanostructures. Photoluminescence measurement indicated that the nanobelts and nanosaws have a prominent green emission at about 512 nm, which is the band-to-band emission of CdS. The waveguide characteristics of both types of CdS nanostructures were observed and discussed.

Structure, magnetic, and electrical properties of Zn1-xMnxO material

NASA Astrophysics Data System (ADS)

Sebayang, P.; Hulu, S. F.; Nasruddin, Aryanto, D.; Kurniawan, C.; Subhan, A.; Sudiro, T.; Ginting, M.

2017-07-01

ZnO and MnO2 powder were synthesized using solid state reaction method to produce Zn1-xMnxO materials. Effect of dopant concentrations at the material of Zn1-xMnxO (x = 0.015, 0.02, 0.025) to the change of crystal structure, electrical and magnetic properties was studied. The X-ray diffraction (XRD) result of the samples that were doped with Mn showed a hexagonal wurtzite polycrystalline structure. The addition of Mn dopant resulting the decrease of lattice parameters and peaks intensity. The significant increase of the peak intensity occurred at x = 0.02, which also indicated an increase in the crystal quality of ZnO. The change of the ZnO structure affected the electrical and magnetic properties of the samples.

Structure of β-AgGaO{sub 2}; ternary I–III–VI{sub 2} oxide semiconductor with a wurtzite-derived structure

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

Nagatani, Hiraku; Suzuki, Issei; Kita, Masao

2015-02-15

The structure of the wurtzite-derived β-AgGaO{sub 2} was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna2{sub 1} with lattice parameters of a{sub 0}=5.56175 Å, b{sub 0}=7.14749 Å, and c{sub 0}=5.46875 Å. The deviation of O–Ag–O and M–O–M bond angles from the regular tetrahedral angle of 109.5° was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO{sub 2} is discussed based on its structure, and the indirect band gap of β-AgGaO{sub 2} was related to significant tetrahedral distortion. Although β-AgGaO{sub 2} decomposes into metallicmore » silver and Ga{sub 2}O{sub 3} at a high temperature in any atmosphere, β-AgGaO{sub 2} is stable up to 690 °C under an O{sub 2} atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO{sub 2}. - Graphical abstract: Crystal structure of β-AgGaO{sub 2} was refined by Rietveld analysis. AgO{sub 4} and O(Ag,Ga){sub 4} tetrahedra are significantly distorted from ideal tetrahedron. - Highlights: • Orthorhombic β-AgGaO{sub 2} with a wurtzite-derived β-NaFeO{sub 2} structure was synthesized. • Its structure was refined by Rietveld analysis of high-resolution XRD data. • Silver and oxygen tetrahedra are significantly distorted from an ideal tetrahedron. • The extent of this tetrahedral distortion is related to the band gap nature. • β-AgGaO{sub 2} is a metastable phase but is stable up to 690 °C in an O{sub 2} atmosphere.« less

The phase behavior of cationic lipid-DNA complexes.

PubMed Central

May, S; Harries, D; Ben-Shaul, A

2000-01-01

We present a theoretical analysis of the phase behavior of solutions containing DNA, cationic lipids, and nonionic (helper) lipids. Our model allows for five possible structures, treated as incompressible macroscopic phases: two lipid-DNA composite (lipoplex) phases, namely, the lamellar (L(alpha)(C)) and hexagonal (H(II)(C)) complexes; two binary (cationic/neutral) lipid phases, that is, the bilayer (L(alpha)) and inverse-hexagonal (H(II)) structures, and uncomplexed DNA. The free energy of the four lipid-containing phases is expressed as a sum of composition-dependent electrostatic, elastic, and mixing terms. The electrostatic free energies of all phases are calculated based on Poisson-Boltzmann theory. The phase diagram of the system is evaluated by minimizing the total free energy of the three-component mixture with respect to all the compositional degrees of freedom. We show that the phase behavior, in particular the preferred lipid-DNA complex geometry, is governed by a subtle interplay between the electrostatic, elastic, and mixing terms, which depend, in turn, on the lipid composition and lipid/DNA ratio. Detailed calculations are presented for three prototypical systems, exhibiting markedly different phase behaviors. The simplest mixture corresponds to a rigid planar membrane as the lipid source, in which case, only lamellar complexes appear in solution. When the membranes are "soft" (i.e., low bending modulus) the system exhibits the formation of both lamellar and hexagonal complexes, sometimes coexisting with each other, and with pure lipid or DNA phases. The last system corresponds to a lipid mixture involving helper lipids with strong propensity toward the inverse-hexagonal phase. Here, again, the phase diagram is rather complex, revealing a multitude of phase transitions and coexistences. Lamellar and hexagonal complexes appear, sometimes together, in different regions of the phase diagram. PMID:10733951

Piezoelectric coefficients of bulk 3R transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Konabe, Satoru; Yamamoto, Takahiro

2017-09-01

The piezoelectric properties of bulk transition metal dichalcogenides (TMDCs) with a 3R structure were investigated using first-principles calculations based on density functional theory combined with the Berry phase treatment. Values for the elastic constant Cijkl , the piezoelectric coefficient eijk , and the piezoelectric coefficient dijk are given for bulk 3R-TMDCs (MoS2, MoSe2, WS2, and WSe2). The piezoelectric coefficients of bulk 3R-TMDCs are shown to be sufficiently large or comparable to those of conventional bulk piezoelectric materials such as α-quartz, wurtzite GaN, and wurtzite AlN.

High-temperature molecular dynamics simulation of aragonite.

PubMed

Miyake, Akira; Kawano, Jun

2010-06-09

For molecular dynamics simulations using aragonite structure as the initial state, a new phase of space group P6₃22 (hexagonal aragonite) appeared at temperatures above 510 K at a pressure of 1 atm. It was a first-order phase transition which occurs metastably within the stable region of calcite and the dT/dP slope of the phase boundary between orthorhombic and hexagonal aragonite was about 1.25 × 10³ K GPa⁻¹. In the hexagonal aragonite structure, CO₃ groups were rotated by 30° around the c axis and move up and down along the c axis from their position in aragonite, and Ca ions were six-coordinated as they are in calcite. The CaO₆ octahedron of hexagonal aragonite was strongly distorted, whereas in the calcite structure it is an almost ideal octahedron. The transition between hexagonal and orthorhombic aragonite involves only small movements of CO₃ groups. Therefore, it is possible that hexagonal aragonite plays an important part in the metastable formation of aragonite within the stability field of calcite and in the development of sector trilling in aragonite.

Cubic and Hexagonal Liquid Crystals as Drug Delivery Systems

PubMed Central

Chen, Yulin; Ma, Ping; Gui, Shuangying

2014-01-01

Lipids have been widely used as main constituents in various drug delivery systems, such as liposomes, solid lipid nanoparticles, nanostructured lipid carriers, and lipid-based lyotropic liquid crystals. Among them, lipid-based lyotropic liquid crystals have highly ordered, thermodynamically stable internal nanostructure, thereby offering the potential as a sustained drug release matrix. The intricate nanostructures of the cubic phase and hexagonal phase have been shown to provide diffusion controlled release of active pharmaceutical ingredients with a wide range of molecular weights and polarities. In addition, the biodegradable and biocompatible nature of lipids demonstrates the minimum toxicity and thus they are used for various routes of administration. Therefore, the research on lipid-based lyotropic liquid crystalline phases has attracted a lot of attention in recent years. This review will provide an overview of the lipids used to prepare cubic phase and hexagonal phase at physiological temperature, as well as the influencing factors on the phase transition of liquid crystals. In particular, the most current research progresses on cubic and hexagonal phases as drug delivery systems will be discussed. PMID:24995330

Optical Temperature Sensor Based on Infrared Excited Green Upconversion Emission in Hexagonal Phase NaLuF4:Yb3+/Er3+ Nanorods.

PubMed

Li, Dongyu; Tian, Linlin; Huang, Zhen; Shao, Lexi; Quan, Jun; Wang, Yuxiao

2016-04-01

Hexagonal phase NaLuF4:Yb3+/Er3+ nanorods were synthesized hydrothermally. An analysis of the intense green upconversion emissions at 525 nm and 550 nm in hexagonal phase NaLuF4:Yb3/+Er3+ nanorods under excitation power density of 4.2 W/cm2 available from a diode laser emitting at 976 nm, have been undertaken. Fluorescence intensity ratio (FIR) variation of temperature-sensitive green upconversion emissions at 525 nm and 550 nm in this material was recorded in the physiological range from 295 to 343 K. The maximum sensitivity derived from the FIR technique of the green upconversion emissions is approximately 0.0044 K-1. Experimental results implied that hexagonal phase NaLuF4:Yb3/+Er3+ nanorods was a potential candidate for optical temperature sensor.

Zincblende to Wurtzite phase shift of CdSe thin films prepared by electrochemical deposition

NASA Astrophysics Data System (ADS)

Bai, Rekha; Chaudhary, Sujeet; Pandya, Dinesh K.

2018-04-01

Cadmium selenide (CdSe) nanostructured thin films have been deposited on conducting glass substrates by potentiostatic electrochemical deposition (ECD) technique. The effect of electrolyte bath pH on the structural, morphological and optical properties of CdSe films has been investigated. Crystal structure of these films is characterized by X-ray diffraction and Raman spectroscopy which reveal polycrystalline nature of CdSe films exhibiting phase shift from zincblende to wurtzite structure with increase in bath pH. Optical studies reveal that the CdSe thin films have good absorbance in visible spectral region and they possess direct optical band gap which increases from 1.68 to 1.97 eV with increase in bath pH. The results suggest CdSe is an efficient absorber material for next generation solar cells.

Mono- and polynucleation, atomistic growth, and crystal phase of III-V nanowires under varying group V flow

NASA Astrophysics Data System (ADS)

Dubrovskii, V. G.

2015-05-01

We present a refined model for the vapor-liquid-solid growth and crystal structure of Au-catalyzed III-V nanowires, which revisits several assumptions used so far and is capable of describing the transition from mononuclear to polynuclear regime and ultimately to regular atomistic growth. We construct the crystal phase diagrams and calculate the wurtzite percentages, elongation rates, critical sizes, and polynucleation thresholds of Au-catalyzed GaAs nanowires depending on the As flow. We find a non-monotonic dependence of the crystal phase on the group V flow, with the zincblende structure being preferred at low and high group V flows and the wurtzite structure forming at intermediate group V flows. This correlates with most of the available experimental data. Finally, we discuss the atomistic growth picture which yields zincblende crystal structure and should be very advantageous for fabrication of ternary III-V nanowires with well-controlled composition and heterointerfaces.

Phase stability and mechanical properties of Mo1-xNx with 0 ≤ x ≤ 1

NASA Astrophysics Data System (ADS)

Balasubramanian, Karthik; Huang, Liping; Gall, Daniel

2017-11-01

First-principle density-functional calculations coupled with the USPEX evolutionary phase-search algorithm are employed to calculate the convex hull of the Mo-N binary system. Eight molybdenum nitride compound phases are found to be thermodynamically stable: tetragonal β-Mo3N, hexagonal δ-Mo3N2, cubic γ-Mo11N8, orthorhombic ɛ-Mo4N3, cubic γ-Mo14N11, monoclinic σ-MoN and σ-Mo2N3, and hexagonal δ-MoN2. The convex hull is a straight line for 0 ≤ x ≤ 0.44 such that bcc Mo and the five listed compound phases with x ≤ 0.44 are predicted to co-exist in thermodynamic equilibrium. Comparing the convex hulls of cubic and hexagonal Mo1-xNx indicates that cubic structures are preferred for molybdenum rich (x < 0.3) compounds, and hexagonal phases are favored for nitrogen rich (x > 0.5) compositions, while similar formation enthalpies for cubic and hexagonal phases at intermediate x = 0.3-0.5 imply that kinetic factors play a crucial role in the phase formation. The volume per atom Vo of the thermodynamically stable Mo1-xNx phases decreases from 13.17 to 9.56 Å3 as x increases from 0.25 to 0.67, with plateaus at Vo = 11.59 Å3 for hexagonal and cubic phases and Vo = 10.95 Å3 for orthorhombic and monoclinic phases. The plateaus are attributed to the changes in the average coordination numbers of molybdenum and nitrogen atoms, which increase from 2 to 6 and decrease from 6 to 4, respectively, indicating an increasing covalent bonding character with increasing x. The change in bonding character and the associated phase change from hexagonal to cubic/orthorhombic to monoclinic cause steep increases in the isotropic elastic modulus E = 387-487 GPa, the shear modulus G = 150-196 GPa, and the hardness H = 14-24 GPa in the relatively narrow composition range x = 0.4-0.5. This also causes a drop in Poisson's ratio from 0.29 to 0.24 and an increase in Pugh's ratio from 0.49 to 0.64, indicating a ductile-to-brittle transition between x = 0.44 and 0.5.

Design considerations for quasi-phase-matching in doubly resonant lithium niobate hexagonal micro-resonators

NASA Astrophysics Data System (ADS)

Sono, Tleyane J.; Riziotis, Christos; Mailis, Sakellaris; Eason, Robert W.

2017-09-01

Fabrication capabilities of high optical quality hexagonal superstructures by chemical etching of inverted ferroelectric domains in lithium niobate platform suggests a route for efficient implementation of compact hexagonal microcavities. Such nonlinear optical hexagonal micro-resonators are proposed as a platform for second harmonic generation (SHG) by the combined mechanisms of total internal reflection (TIR) and quasi-phase-matching (QPM). The proposed scheme for SHG via TIR-QPM in a hexagonal microcavity can improve the efficiency and also the compactness of SHG devices compared to traditional linear-type based devices. A simple theoretical model based on six-bounce trajectory and phase matching conditions was capable for obtaining the optimal cavity size. Furthermore numerical simulation results based on finite difference time domain beam propagation method analysis confirmed the solutions obtained by demonstrating resonant operation of the microcavity for the second harmonic wave produced by TIR-QPM. Design aspects, optimization issues and characteristics of the proposed nonlinear device are presented.

Polymorphic one-dimensional (N2H4)2ZnTe: soluble precursors for the formation of hexagonal or cubic zinc telluride.

PubMed

Mitzi, David B

2005-10-03

Two hydrazine zinc(II) telluride polymorphs, (N2H4)2ZnTe, have been isolated, using ambient-temperature solution-based techniques, and the crystal structures determined: alpha-(N2H4)2ZnTe (1) [P21, a = 7.2157(4) Angstroms, b = 11.5439(6) Angstroms, c = 7.3909(4) Angstroms, beta = 101.296(1) degrees, Z = 4] and beta-(N2H4)2ZnTe (2) [Pn, a = 8.1301(5) Angstroms, b = 6.9580(5) Angstroms, c = 10.7380(7) Angstroms, beta = 91.703(1) degrees, Z = 4]. The zinc atoms in 1 and 2 are tetrahedrally bonded to two terminal hydrazine molecules and two bridging tellurium atoms, leading to the formation of extended one-dimensional (1-D) zinc telluride chains, with different chain conformations and packings distinguishing the two polymorphs. Thermal decomposition of (N2H4)2ZnTe first yields crystalline wurtzite (hexagonal) ZnTe at temperatures as low as 200 degrees C, followed by the more stable zinc blende (cubic) form at temperatures above 350 degrees C. The 1-D polymorphs are soluble in hydrazine and can be used as convenient precursors for the low-temperature solution processing of p-type ZnTe semiconducting films.

Antibacterial and antioxidant properties of biosynthesized zinc oxide nanoparticles from Ceropegia candelabrum L. - An endemic species

NASA Astrophysics Data System (ADS)

Murali, M.; Mahendra, C.; Nagabhushan; Rajashekar, N.; Sudarshana, M. S.; Raveesha, K. A.; Amruthesh, K. N.

2017-05-01

Zinc oxide nanoparticles (ZnO-NPs) were synthesized for the first time from any of the species of Ceropegia. Presently, ZnO-NPs were synthesized from the leaf extract of Ceropegia candelabrum with zinc nitrate using a simple hydrothermal process. The synthesized ZnO-NPs showed an absorption peak at 320 nm which is one of the characteristic features of ZnO-NPs. The FT-IR characterization revealed a spectrum band at 551.93 cm- 1 corresponding to the functional group metal oxide. SEM images showed agglomeration of nanoparticles with a hexagonal shape. XRD results are in corroboration with SEM images as the synthesized particles were of hexagonal wurtzite shape and the size of the particles was in the range of 12-35 nm calculated using Scherrer's formula. The elemental analysis using EDS confirmed high zinc content of 70.48% stating that the process of biosynthesis of nanoparticles was carried out in accordance. The biosynthesized ZnO-NPs offered significant antibacterial potential against S. aureus, B. subtilis, E. coli and S. typhi. The antioxidant results revealed significant (p ≤ 0.05) RSA from 0% to 55.43% (IC50 = 95.09 μg mL- 1). The results affirm that biosynthesized ZnO-NPs can be used as an alternative to present-day chemical compounds.

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.

Enhanced antibacterial activity of zinc oxide nanoparticles synthesized using Petroselinum crispum extracts

NASA Astrophysics Data System (ADS)

Stan, Manuela; Popa, Adriana; Toloman, Dana; Silipas, Teofil-Danut; Vodnar, Dan Cristian; Katona, Gabriel

2015-12-01

The present contribution reports the synthesis of zinc oxide nanoparticles (ZnO NPs) using aqueous leaf and root extracts of Petroselinum crispum (parsley) and characterization of as-prepared samples. ZnO NPs are subjected to X-ray diffraction (XRD), transmission electron microscopy (TEM) and electron paramagnetic resonance (EPR) studies. The XRD studies reveal a hexagonal wurtzite structure without supplementary diffraction lines for all ZnO samples. TEM analysis shows that the particle size is influenced by the type of plant extract. The EPR spectra indicate the presence of Mn2+ ions in ZnO sample synthesized using P. crispum leaf extract, while zinc vacancy complexes and oxygen vacancies are evidenced in all analyzed samples. ZnO NPs synthesized using P. crispum extracts exhibit increased (2-16 times) antibacterial activity as compared to chemically synthesized ZnO NPs.

Large Area Stress Distribution in Crystalline Materials Calculated from Lattice Deformation Identified by Electron Backscatter Diffraction

NASA Astrophysics Data System (ADS)

Shao, Yongliang; Zhang, Lei; Hao, Xiaopeng; Wu, Yongzhong; Dai, Yuanbin; Tian, Yuan; Huo, Qin

2014-08-01

We report a method to obtain the stress of crystalline materials directly from lattice deformation by Hooke's law. The lattice deformation was calculated using the crystallographic orientations obtained from electron backscatter diffraction (EBSD) technology. The stress distribution over a large area was obtained efficiently and accurately using this method. Wurtzite structure gallium nitride (GaN) crystal was used as the example of a hexagonal crystal system. With this method, the stress distribution of a GaN crystal was obtained. Raman spectroscopy was used to verify the stress distribution. The cause of the stress distribution found in the GaN crystal was discussed from theoretical analysis and EBSD data. Other properties related to lattice deformation, such as piezoelectricity, can also be analyzed by this novel approach based on EBSD data.

Large area stress distribution in crystalline materials calculated from lattice deformation identified by electron backscatter diffraction.

PubMed

Shao, Yongliang; Zhang, Lei; Hao, Xiaopeng; Wu, Yongzhong; Dai, Yuanbin; Tian, Yuan; Huo, Qin

2014-08-05

We report a method to obtain the stress of crystalline materials directly from lattice deformation by Hooke's law. The lattice deformation was calculated using the crystallographic orientations obtained from electron backscatter diffraction (EBSD) technology. The stress distribution over a large area was obtained efficiently and accurately using this method. Wurtzite structure gallium nitride (GaN) crystal was used as the example of a hexagonal crystal system. With this method, the stress distribution of a GaN crystal was obtained. Raman spectroscopy was used to verify the stress distribution. The cause of the stress distribution found in the GaN crystal was discussed from theoretical analysis and EBSD data. Other properties related to lattice deformation, such as piezoelectricity, can also be analyzed by this novel approach based on EBSD data.

Large Area Stress Distribution in Crystalline Materials Calculated from Lattice Deformation Identified by Electron Backscatter Diffraction

PubMed Central

Shao, Yongliang; Zhang, Lei; Hao, Xiaopeng; Wu, Yongzhong; Dai, Yuanbin; Tian, Yuan; Huo, Qin

2014-01-01

We report a method to obtain the stress of crystalline materials directly from lattice deformation by Hooke's law. The lattice deformation was calculated using the crystallographic orientations obtained from electron backscatter diffraction (EBSD) technology. The stress distribution over a large area was obtained efficiently and accurately using this method. Wurtzite structure gallium nitride (GaN) crystal was used as the example of a hexagonal crystal system. With this method, the stress distribution of a GaN crystal was obtained. Raman spectroscopy was used to verify the stress distribution. The cause of the stress distribution found in the GaN crystal was discussed from theoretical analysis and EBSD data. Other properties related to lattice deformation, such as piezoelectricity, can also be analyzed by this novel approach based on EBSD data. PMID:25091314

Growth of catalyst-free high-quality ZnO nanowires by thermal evaporation under air ambient

PubMed Central

2012-01-01

ZnO nanowires have been successfully fabricated on Si substrate by simple thermal evaporation of Zn powder under air ambient without any catalyst. Morphology and structure analyses indicated that ZnO nanowires had high purity and perfect crystallinity. The diameter of ZnO nanowires was 40 to 100 nm, and the length was about several tens of micrometers. The prepared ZnO nanowires exhibited a hexagonal wurtzite crystal structure. The growth of the ZnO nanostructure was explained by the vapor-solid mechanism. The simplicity, low cost and fewer necessary apparatuses of the process would suit the high-throughput fabrication of ZnO nanowires. The ZnO nanowires fabricated on Si substrate are compatible with state-of-the-art semiconductor industry. They are expected to have potential applications in functional nanodevices. PMID:22502639

Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN

NASA Astrophysics Data System (ADS)

Lyons, John L.; Janotti, Anderson; Van de Walle, Chris G.

2013-08-01

We explore the properties of group-II acceptors in GaN by performing hybrid density functional calculations. We find that MgGa gives rise to hole localization in zinc-blende GaN, similar to the behavior in the wurtzite phase. Alternative acceptor impurities, such as Zn and Be, also lead to localized holes in wurtzite GaN, and their ionization energies are larger than that of Mg. All these group-II acceptors also cause large lattice distortions in their neutral charge state, which in turn lead to deep and broad luminescence signals. We explore the consequences of these results for p-type doping.

Hydrothermal synthesis and magnetic properties of Mn doped ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Rashad, M. M.; Rayan, D. A.; El-Barawy, K.

2010-01-01

Nanocrystallite Mn doped Zn1-XS (X = 0 to 0.4) powders have been synthesized through a hydrothermal route. The effect of the hydrothermal temperature and Mn2+ ions substitution on the crystal structure, crystallite size, microstructure and magnetic properties were investigated using (XRD), (SEM) and (VSM). The results revealed that wurtzite zinc sulfide phase was formed using thiourea as a sulfur source at temperature 150- 200oC for 24 h. The crystallite size was (7.9-15.1 nm) was obtained at the same conditions. The doping of Mn2+ ions decreased the crystallite size of the formed ZnS wurtzite phase was in the range between 7.9 and 3.8 nm. SEM micrographs showed that the produced ZnS and Mn doped ZnS particles were appeared as spherical shape. The magnetic properties were improved by substitution of Mn2+ ions up to 0.2.

A Stillinger-Weber Potential for InGaN

DOE PAGES

Zhou, X. W.; Jones, R. E.

2017-09-27

Reducing defects in InGaN films deposited on GaN substrates has been critical to fill the “green” gap for solid-state lighting applications. To enable researchers to use molecular dynamics vapor deposition simulations to explores ways to reduce defects in InGaN films, we have developed and characterized a Stillinger-Weber potential for InGaN. We show that this potential reproduces the experimental atomic volume, cohesive energy, and bulk modulus of the equilibrium wurtzite / zinc-blende phases of both InN and GaN. Most importantly, the potential captures the stability of the correct phase of InGaN compounds against a variety of other elemental, alloy, and compoundmore » configurations. Lastly, this is validated by the potential’s ability to predict crystalline growth of stoichiometric wurtzite and zinc-blende In xGa 1-xN compounds during vapor deposition simulations where adatoms are randomly injected to the growth surface.« less

Hexagonal OsB 2: Sintering, microstructure and mechanical properties

DOE PAGES

Xie, Zhilin; Lugovy, Mykola; Orlovskaya, Nina; ...

2015-02-07

In this study, the metastable high pressure ReB 2-type hexagonal OsB 2 bulk ceramics was produced by spark plasma sintering. The phase composition, microstructure, and mechanical behavior of the sintered OsB 2 were studied by X-ray diffraction, optical microscopy, TEM, SEM, EDS, and nanoindentation. The produced ceramics was rather porous and contained a mixture of hexagonal (~80 wt.%) and orthorhombic (~20 wt.%) phases as identified by X-ray diffraction and EBSD analysis. Two boron-rich phases, which do not contain Os, were also identified by TEM and SEM/EDS analysis. Nanoindentation measurements yielded a hardness of 31 ± 9 GPa and Young’s modulusmore » of 574 ± 112 GPa, indicating that the material is rather hard and very stiff; but, it is very prone to crack formation and propagation, which is indicative of a very brittle nature of this material. Improvements in the sintering regime are required in order to produce dense, homogeneous and single phase hexagonal OsB 2 bulk ceramics.« less

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.

Evaluation of the structural, optical and electrical properties of AZO thin films prepared by chemical bath deposition for optoelectronics

NASA Astrophysics Data System (ADS)

Kumar, K. Deva Arun; Valanarasu, S.; Rosario, S. Rex; Ganesh, V.; Shkir, Mohd.; Sreelatha, C. J.; AlFaify, S.

2018-04-01

Aluminum doped zinc oxide (AZO) thin films for electrode applications were deposited on glass substrates using chemical bath deposition (CBD) method. The influence of deposition time on the structural, morphological, and opto-electrical properties of AZO films were investigated. Structural studies confirmed that all the deposited films were hexagonal wurtzite structure with polycrystalline nature and exhibited (002) preferential orientation. There is no other impurity phases were detected for different deposition time. Surface morphological images shows the spherically shaped grains are uniformly arranged on to the entire film surface. The EDS spectrum confirms the presence of Zn, O and Al elements in deposited AZO film. The observed optical transmittance is high (87%) in the visible region, and the calculated band gap value is 3.27 eV. In this study, the transmittance value is decreased with increasing deposition time. The room temperature PL spectrum exposed that AZO thin film deposited at (60 min) has good optical quality with less defect density. The minimum electrical resistivity and maximum carrier concentration values were observed as 8.53 × 10-3(Ω cm) and 3.53 × 1018 cm-3 for 60 min deposited film, respectively. The obtained figure of merit (ϕ) value 3.05 × 10-3(Ω/sq)- 1 is suggested for an optoelectronic device.

Facile in situ synthesis of wurtzite ZnS/ZnO core/shell heterostructure with highly efficient visible-light photocatalytic activity and photostability

NASA Astrophysics Data System (ADS)

Xiao, Jian-Hua; Huang, Wei-Qing; Hu, Yong-sheng; Zeng, Fan; Huang, Qin-Yi; Zhou, Bing-Xin; Pan, Anlian; Li, Kai; Huang, Gui-Fang

2018-02-01

High photocatalytic activity and photostability are the pursuit of the goal for designing promising photocatalysts. Herein, using ZnO to encapsulate ZnS nanoparticles is proposed as an effective strategy to enhance photocatalytic activity and anti-photocorrosion. The ZnS/ZnO core/shell heterostructures are obtained via an annealing treatment of ZnS nanoparticles produced by a facile wet chemical approach. Due to its small size, the nascent cubic sphalerite ZnS (s-ZnS) converts into a hexagonal wurtzite ZnS (w-ZnS)/ZnO core/shell structure after annealing treatment. In situ oxidation leads to increasing ZnO, simultaneously decreasing the w-ZnS content in the resultant w-ZnS/ZnO with thermal annealing time. The w-ZnS/ZnO core/shell heterostructures show high photocatalytic activity, demonstrated by the photodegradation rate of methylene blue being up to ten-fold and seven-fold higher than that of s-ZnS under UV and visible light irradiation, respectively, and the high capability of degrading rhodamine B. The enhanced photocatalytic activity may be attributed to the large specific surface and improved charge carrier separation at the core/shell interface. Moreover, it displays high photostability owing to the protection of the ZnO shell, greatly inhibiting the photocorrosion of ZnS. This facile in situ oxidation is effective and easily scalable, providing opportunities for developing novel core/shell structure photocatalysts with high activity and photostability.

The effect of operational parameters on the photocatalytic degradation of Congo red organic dye using ZnO-CdS core-shell nano-structure coated on glass by Doctor Blade method.

PubMed

Habibi, Mohammad Hossein; Rahmati, Mohammad Hossein

2015-02-25

Photocatalytic degradation of Congo red was investigated using ZnO-CdS core-shell nano-structure coated on glass by Doctor Blade method in aqueous solution under irradiation. Field-emission scanning electron microscopy (FESEM) and X-ray diffraction (XRD) techniques were used for the morphological and structural characterization of ZnO-CdS core-shell nanostructures. XRD results showed diffractions of wurtzite zinc oxide core and wurtzite cadmium sulfide shell. FESEM results showed that nanoparticles are nearly hexagonal with an average diameter of about 50 nm. The effect of catalyst loading, UV-light irradiation time and solution pH on photocatalytic degradation of Congo red was studied and optimized values were obtained. Results showed that the employment of efficient photocatalyst and selection of optimal operational parameters may lead to complete decolorization of dye solutions. It was found that ZnO-CdS core-shell nano-structure is more favorable for the degradation of Congo red compare to pure ZnO or pure CdS due to lower electron hole recombination. The results showed that the photocatalytic degradation rate of Congo red is enhanced with increasing the content of ZnO up to ZnO(0.2 M)/CdS(0.075 M) which is reached 88.0% within 100 min irradiation. Copyright © 2014 Elsevier B.V. All rights reserved.

Nature of phase transitions in crystalline and amorphous GeTe-Sb2Te3 phase change materials.

PubMed

Kalkan, B; Sen, S; Clark, S M

2011-09-28

The thermodynamic nature of phase stabilities and transformations are investigated in crystalline and amorphous Ge(1)Sb(2)Te(4) (GST124) phase change materials as a function of pressure and temperature using high-resolution synchrotron x-ray diffraction in a diamond anvil cell. The phase transformation sequences upon compression, for cubic and hexagonal GST124 phases are found to be: cubic → amorphous → orthorhombic → bcc and hexagonal → orthorhombic → bcc. The Clapeyron slopes for melting of the hexagonal and bcc phases are negative and positive, respectively, resulting in a pressure dependent minimum in the liquidus. When taken together, the phase equilibria relations are consistent with the presence of polyamorphism in this system with the as-deposited amorphous GST phase being the low entropy low-density amorphous phase and the laser melt-quenched and high-pressure amorphized GST being the high entropy high-density amorphous phase. The metastable phase boundary between these two polyamorphic phases is expected to have a negative Clapeyron slope. © 2011 American Institute of Physics

Water freezing and ice melting

DOE PAGES

Malolepsza, Edyta; Keyes, Tom

2015-10-12

The generalized replica exchange method (gREM) is designed to sample states with coexisting phases and thereby to describe strong first order phase transitions. The isobaric MD version of the gREM is presented and applied to freezing of liquid water, and melting of hexagonal and cubic ice. It is confirmed that coexisting states are well sampled. The statistical temperature as a function of enthalpy, T S(H), is obtained. Hysteresis between freezing and melting is observed and discussed. The entropic analysis of phase transitions is applied and equilibrium transition temperatures, latent heats, and surface tensions are obtained for hexagonal ice↔liquid and cubicmore » ice↔liquid, with excellent agreement with published values. A new method is given to assign water molecules among various symmetry types. As a result, pathways for water freezing, ultimately leading to hexagonal ice, are found to contain intermediate layered structures built from hexagonal and cubic ice.« less

Pressure-induced structural transformations in lanthanide titanates: La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5}

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

Zhang, F.X., E-mail: zhangfx@umich.ed; Wang, J.W.; Lang, M.

The structure of orthorhombic rare earth titanates of La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5}, where Ti cations are in five-fold coordination with oxygen, has been studied at high pressures by X-ray diffraction (XRD), Raman scattering measurements, and quantum mechanical calculations. Both XRD and Raman results indicated two pressure-induced phase transitions during the process. An orthorhombic super cell (axbx2c) formed at a pressure between 6 and 10 GPa, and then transformed to a hexagonal high-pressure phase accompanied by partial decomposition. The hexagonal high-pressure phase is quenchable. Detailed structural analysis indicated that the five-coordinated TiO{sub 5} polyhedra remain during the formationmore » of super cell, but the orthorhombic-to-hexagonal phase transition at high pressures is a reconstructive process, and the five-fold Ti-O coordination increased to more than 6. This phase transition sequence was verified by quantum mechanical calculations. - Graphical abstract: At high pressures, La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5} transform from the orthorhombic phase to an axbx2c superlattice of the orthorhombic structure and then to a hexagonal high-pressure phase. Display Omitted« less

Solvation Dynamics in Different Phases of the Lyotropic Liquid Crystalline System.

PubMed

Roy, Bibhisan; Satpathi, Sagar; Gavvala, Krishna; Koninti, Raj Kumar; Hazra, Partha

2015-09-03

Reverse hexagonal (HII) liquid crystalline material based on glycerol monooleate (GMO) is considered as a potential carrier for drugs and other important biomolecules due to its thermotropic phase change and excellent morphology. In this work, the dynamics of encapsulated water, which plays important role in stabilization and formation of reverse hexagonal mesophase, has been investigated by time dependent Stokes shift method using Coumarin-343 as a solvation probe. The formation of the reverse hexagonal mesophase (HII) and transformation to the L2 phase have been monitored using small-angle X-ray scattering and polarized light microscopy experiments. REES studies suggest the existence of different polar regions in both HII and L2 systems. The solvation dynamics study inside the reverse hexagonal (HII) phase reveals the existence of two different types of water molecules exhibiting dynamics on a 120-900 ps time scale. The estimated diffusion coefficients of both types of water molecules obtained from the observed dynamics are in good agreement with the measured diffusion coefficient collected from the NMR study. The calculated activation energy is found to be 2.05 kcal/mol, which is associated with coupled rotational-translational water relaxation dynamics upon the transition from "bound" to "quasi-free" state. The observed ∼2 ns faster dynamics of the L2 phase compared to the HII phase may be associated with both the phase transformation as well as thermotropic effect on the relaxation process. Microviscosities calculated from time-resolved anisotropy studies infer that the interface is almost ∼22 times higher viscous than the central part of the cylinder. Overall, our results reveal the unique dynamical features of water inside the cylinder of reverse hexagonal and inverse micellar phases.

Nanoparticles of wurtzite aluminum nitride from the nut shells

NASA Astrophysics Data System (ADS)

Qadri, S. B.; Gorzkowski, E. P.; Rath, B. B.; Feng, C. R.; Amarasinghe, R.

2016-11-01

Nanoparticles of aluminum nitride were produced from a thermal treatment of a mixture of aluminum oxide (Al2O3) and shells of almond, cashew, coconuts, pistachio, and walnuts in a nitrogen atmosphere at temperatures in excess of 1450 °C. By selecting the appropriate ratios of each nut powder to Al2O3, it is shown that stoichiometric aluminum nitride can be produced by carbo-thermal reduction in nitrogen atmosphere. Using x-ray diffraction analysis, Raman scattering and Fourier Transform Infrared spectroscopy, it is demonstrated that aluminum nitride consists of pure wurtzite phase. Transmission electron microscopy showed the formation of nanoparticles and in some cases nanotubes of AlN.

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.

Water-repellent coatings prepared by modification of ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Chakradhar, R. P. S.; Dinesh Kumar, V.

Superhydrophobic coatings with a static water contact angle (WCA) > 150° were prepared by modifying ZnO nanoparticles with stearic acid (ZnO@SA). ZnO nanoparticles of size ˜14 nm were prepared by solution combustion method. X-ray diffraction (XRD) studies reveal that as prepared ZnO has hexagonal wurtzite structure whereas the modified coatings convert to zinc stearate. Field emission scanning electron micrographs (FE-SEM) show the dual morphology of the coatings exhibiting both particles and flakes. The flakes are highly fluffy in nature with voids and nanopores. Fourier transformed infrared (FTIR) spectrum shows the stearate ion co-ordinates with Zn2+ in the bidentate form. The surface properties such as surface free energy (γp) and work of adhesion (W) of the unmodified and modified ZnO coatings have been evaluated. The electron paramagnetic resonance (EPR) spectroscopy reveals that surface defects play a major role in the wetting behavior.

Enhanced antibacterial activity of zinc oxide nanoparticles synthesized using Petroselinum crispum extracts

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

Stan, Manuela, E-mail: manuela.stan@itim-cj.ro; Popa, Adriana; Toloman, Dana

The present contribution reports the synthesis of zinc oxide nanoparticles (ZnO NPs) using aqueous leaf and root extracts of Petroselinum crispum (parsley) and characterization of as-prepared samples. ZnO NPs are subjected to X-ray diffraction (XRD), transmission electron microscopy (TEM) and electron paramagnetic resonance (EPR) studies. The XRD studies reveal a hexagonal wurtzite structure without supplementary diffraction lines for all ZnO samples. TEM analysis shows that the particle size is influenced by the type of plant extract. The EPR spectra indicate the presence of Mn{sup 2+} ions in ZnO sample synthesized using P. crispum leaf extract, while zinc vacancy complexes andmore » oxygen vacancies are evidenced in all analyzed samples. ZnO NPs synthesized using P. crispum extracts exhibit increased (2-16 times) antibacterial activity as compared to chemically synthesized ZnO NPs.« 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

Characterization of structural and electrical properties of ZnO tetrapods

NASA Astrophysics Data System (ADS)

Gu, Yu-Dong; Mai, Wen-Jie; Jiang, Peng

2011-12-01

ZnO tetrapods were synthesized by a typical thermal vapor-solid deposition method in a horizontal tube furnace. Structural characterization was carried out by transmission electron microscopy (TEM) and select-area electron diffraction (SAED), which shows the presence of zinc blende nucleus in the center of tetrapods while the four branches taking hexagonal wurtzite structure. The electrical transport property of ZnO tetrapods was investigated through an in-situ nanoprobe system. The three branches of a tetrapod serve as source, drain, and "gate", respectively; while the fourth branch pointing upward works as the force trigger by vertically applying external force downward. The conductivity of each branch of ZnO-tetrapods increases 3-4 times under pressure. In such situation, the electrical current through the branches of ZnO tetrapods can be tuned by external force, and therefore a simple force sensor based on ZnO tetrapods has been demonstrated for the first time.

Pb(core)/ZnO(shell) nanowires obtained by microwave-assisted method

PubMed Central

2011-01-01

In this study, Pb-filled ZnO nanowires [Pb(core)/ZnO(shell)] were synthesized by a simple and novel one-step vapor transport and condensation method by microwave-assisted decomposition of zinc ferrite. The synthesis was performed using a conventional oven at 1000 W and 5 min of treatment. After synthesis, a spongy white cotton-like material was obtained in the condensation zone of the reaction system. HRTEM analysis revealed that product consists of a Pb-(core) with (fcc) cubic structure that preferentially grows in the [111] direction and a hexagonal wurtzite ZnO-(Shell) that grows in the [001] direction. Nanowire length was more than 5 μm and a statistical analysis determined that the shell and core diameters were 21.00 ± 3.00 and 4.00 ± 1.00 nm, respectively. Experimental, structural details, and synthesis mechanism are discussed in this study. PMID:21985637

Vertical growth of ZnO nanorods on ZnO seeded FTO substrate for dye sensitized solar cells

NASA Astrophysics Data System (ADS)

Marimuthu, T.; Anandhan, N.

2018-04-01

Zinc oxide (ZnO) nanorods (NRs) were electrochemically grown on fluorine doped tin oxide (FTO) and ZnO seeded FTO substrates. X-ray diffraction (XRD) patterns, Raman spectra and photoluminescence (PL) spectra reveal that the hexagonal wurtzite structured ZnO grown on a seeded FTO substrate has a high crystallinity, crystal quality and less atomic defects. Felid emission scanning electron microscope (FE-SEM) images display a high growth density of NRs grown on seeded FTO substrate compared to NRs grown on FTO substrate. The efficiency of the DSSCs based on NRs grown on FTO and seeded FTO substrates is 0.85 and 1.52 %, respectively. UV-Vis absorption spectra and electrochemical impedance spectra depict that the NRs grown on seeded FTO photoanode have higher dye absorption and charge recombination resistance than that of the NRs grown on FTO substrate.

Synthesis and annealing study of RF sputtered ZnO thin film

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

Singh, Shushant Kumar, E-mail: singhshushant86@gmail.com; Sharma, Himanshu; Singhal, R.

2016-05-23

In this paper, we have investigated the annealing effect on optical and structural properties of ZnO thin films, synthesized by RF magnetron sputtering. ZnO thin films were deposited on glass and silicon substrates simultaneously at a substrate temperature of 300 °C using Argon gas in sputtering chamber. Thickness of as deposited ZnO thin film was found to be ~155 nm, calculated by Rutherford backscattering spectroscopy (RBS). These films were annealed at 400 °C and 500 °C temperature in the continuous flow of oxygen gas for 1 hour in tube furnace. X-ray diffraction analysis confirmed the formation of hexagonal wurtzite structuremore » of ZnO thin film along the c-axis (002) orientation. Transmittance of thin films was increased with increasing the annealing temperature estimated by UV-visible transmission spectroscopy. Quality and texture of the thin films were improved with annealing temperature, estimated by Raman spectroscopy.« less

Influence of reaction time and synthesis temperature on the physical properties of ZnO nanoparticles synthesized by the hydrothermal method

NASA Astrophysics Data System (ADS)

Wasly, H. S.; El-Sadek, M. S. Abd; Henini, Mohamed

2018-01-01

Influence of synthesis temperature and reaction time on the structural and optical properties of ZnO nanoparticles synthesized by the hydrothermal method was investigated using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), energy-dispersive X-ray, Fourier transform infra-red spectroscopy, and UV-visible and fluorescence spectroscopy. The XRD pattern and HR-TEM images confirmed the presence of crystalline hexagonal wurtzite ZnO nanoparticles with average crystallite size in the range 30-40 nm. Their energy gap determined by fluorescence was found to depend on the synthesis temperature and reaction time with values in the range 2.90-3.78 eV. Thermal analysis, thermogravimetric and the differential scanning calorimetry were used to study the thermal reactions and weight loss with heat of the prepared ZnO nanoparticles.

Fe-tannic acid complex dye as photo sensitizer for different morphological ZnO based DSSCs

NASA Astrophysics Data System (ADS)

Çakar, Soner; Özacar, Mahmut

2016-06-01

In this paper we have synthesized different morphological ZnO nanostructures via microwave hydrothermal methods at low temperature within a short time. We described different morphologies of ZnO at different Zn(NO3)2/KOH mole ratio. The ZnO nanostructures were characterized via X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM) and UV-vis spectrophotometry. All ZnO structures have hexagonal wurtzite type structures. The FESEM images showed various morphologies of ZnO such as plate, rod and nanoparticles. Dye sensitized solar cells have been assembled by these different morphological structures photo electrode and tannic acid or Fe-tannic acid complex dye as sensitizer. We have achieved at maximum efficiencies of photovoltaic cells prepared with ZnO plate in all dye systems. The conversion efficiencies of dye sensitized solar cells are 0.37% and 1.00% with tannic acid and Fe-tannic acid complex dye, respectively.

Characterization of Pb-Doped GaN Thin Films Grown by Thermionic Vacuum Arc

NASA Astrophysics Data System (ADS)

Özen, Soner; Pat, Suat; Korkmaz, Şadan

2018-03-01

Undoped and lead (Pb)-doped gallium nitride (GaN) thin films have been deposited by a thermionic vacuum arc (TVA) method. Glass and polyethylene terephthalate were selected as optically transparent substrates. The structural, optical, morphological, and electrical properties of the deposited thin films were investigated. These physical properties were interpreted by comparison with related analysis methods. The crystalline structure of the deposited GaN thin films was hexagonal wurtzite. The optical bandgap energy of the GaN and Pb-doped GaN thin films was found to be 3.45 eV and 3.47 eV, respectively. The surface properties of the deposited thin films were imaged using atomic force microscopy and field-emission scanning electron microscopy, revealing a nanostructured, homogeneous, and granular surface structure. These results confirm that the TVA method is an alternative layer deposition system for Pb-doped GaN thin films.

Effect of Cu-Dopant on the Structural, Magnetic and Electrical Properties of ZnO

NASA Astrophysics Data System (ADS)

Aryanto, D.; Kurniawan, C.; Subhan, A.; Sudiro, T.; Sebayang, P.; Ginting, M.; Siregar, S. M. K.; Nasruddin, M. N.

2017-05-01

Zn1- x Cu x O (x = 0, 2, 3, and 4 at.%) was synthesized by using solid-state reaction technique. The ZnO and CuO powders were mixed and then milled by using high-speed shaker mill. The influence of Cu dopants on the structure, magnetic, and electrical properties was investigated by using XRD, VSM, and I-V and C-V measurements. The XRD analysis showed that the Zn1- x Cu x O had hexagonal wurtzite polycrystalline. The diffraction intensity decreased and the peak position shifted directly to a higher 2θ angle with increasing the dopant concentration. Furthermore, the lattice parameters decreased when the ZnO was doped with x = 0.04, which indicated that the crystal structure changed. The increase of Cu dopants was believed to affect the magnetic and electrical properties of ZnO.

Synthesis, characterization and ferromagnetic properties of Zn1-xMnxO (x ≤ 0.05) nanoparticles

NASA Astrophysics Data System (ADS)

Phuruangrat, Anukorn; Thongtem, Titipun; Thongtem, Somchai

2018-06-01

Zn1-xMnxO (x ≤ 0.05) nanoparticles were synthesized by a combination of room temperature precipitation and high temperature calcination. Pure hexagonal wurtzite ZnO nanoparticles with the size of ≤100 nm and a dominant vibrational peak at 437 cm-1 of E2H non-polar optical phonon mode were detected. The present research was succeeded in doping of ZnO lattice by Mn2+ ions, including the detection of an additional peak at 528 cm-1 associated with lattice defects. Magnetic properties of Zn1-xMnxO (x ≤ 0.05) nanoparticles were controlled by correlated spin of Mn-O-Mn exchange couple and lattice disorder. The saturation magnetization of ferromagnetic Zn0.97Mn0.03O was the highest at 51.49 × 10-3 emu/g.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Effect of Annealing Conditions on Properties of Sol-Gel Derived Al-Doped ZnO Thin Films

NASA Astrophysics Data System (ADS)

Gao, Mei-Zhen; Zhang, Feng; Liu, Jing; Sun, Hui-Na

2009-08-01

Transparent conductive Al-doped ZnO (AZO) thin films are prepared on normal glass substrates by the sol-gel spin coating method. The effects of drying conditions, annealing temperature and cooling rate on the structural, electrical and optical properties of AZO films are investigated by x-ray diffraction, scanning electron microscopy, the four-point probe method and UV-VIS spectrophotometry, respectively. The deposited films show a hexagonal wurtzite structure and high preferential c-axis orientation. As the drying temperature increases from 100°C to 300°C the resistivity of AZO films decreases dramatically. In contrast to the annealed films cooled in a furnace and in air, the resistivity of the annealed film which is cooled at -15°C is greatly reduced. Increasing the cooling rate dramatically increases the electrical conductivity of AZO films.

Preparation and characterization of CdS/Si coaxial nanowires

NASA Astrophysics Data System (ADS)

Fu, X. L.; Li, L. H.; Tang, W. H.

2006-04-01

CdS/Si coaxial nanowires were fabricated via a simple one-step thermal evaporation of CdS powder in mass scale. Their crystallinities, general morphologies and detailed microstructures were characterized by using X-ray diffraction, scanning electron microscope, transmission electron microscope and Raman spectra. The CdS core crystallizes in a hexagonal wurtzite structure with lattice constants of a=0.4140 nm and c=0.6719 nm, and the Si shell is amorphous. Five Raman peaks from the CdS core were observed. They are 1LO at 305 cm -1, 2LO at 601 cm -1, A 1-TO at 212 cm -1, E 1-TO at 234 cm -1, and E 2 at 252 cm -1. Photoluminescence measurements show that the nanowires have two emission bands around 510 and 590 nm, which originate from the intrinsic transitions of CdS cores and the amorphous Si shells, respectively.

Synthesis of ZnO thin film by sol-gel spin coating technique for H2S gas sensing application

NASA Astrophysics Data System (ADS)

Nimbalkar, Amol R.; Patil, Maruti G.

2017-12-01

In this present work, zinc oxide (ZnO) thin film synthesized by a simple sol-gel spin coating technique. The structural, morphology, compositional, microstructural, optical, electrical and gas sensing properties of the film were studied by using XRD, FESEM, EDS, XPS, HRTEM, Raman, FTIR and UV-vis techniques. The ZnO thin film shows hexagonal wurtzite structure with a porous structured morphology. Gas sensing performance of synthesized ZnO thin film was tested initially for H2S gas at different operating temperatures as well as concentrations. The maximum gas response is achieved towards H2S gas at 300 °C operating temperature, at 100 ppm gas concentration as compared to other gases like CH3OH, Cl2, NH3, LPG, CH3COCH3, and C2H5OH with a good stability.

Low temperature laser molecular beam epitaxy and characterization of AlGaN epitaxial layers

NASA Astrophysics Data System (ADS)

Tyagi, Prashant; Ch., Ramesh; Kushvaha, S. S.; Kumar, M. Senthil

2017-05-01

We have grown AlGaN (0001) epitaxial layers on sapphire (0001) by using laser molecular beam epitaxy (LMBE) technique. The growth was carried out using laser ablation of AlxGa1-x liquid metal alloy under r.f. nitrogen plasma ambient. Before epilayer growth, the sapphire nitradation was performed at 700 °C using r.f nitrogen plasma followed by AlGaN layer growth. The in-situ reflection high energy electron diffraction (RHEED) was employed to monitor the substrate nitridation and AlGaN epitaxial growth. High resolution x-ray diffraction showed wurtzite hexagonal growth of AlGaN layer along c-axis. An absorption bandgap of 3.97 eV is obtained for the grown AlGaN layer indicating an Al composition of more than 20 %. Using ellipsometry, a refractive index (n) value of about 2.19 is obtained in the visible region.

Intermediate-phase method for computing the natural band offset between two materials with dissimilar structures

NASA Astrophysics Data System (ADS)

Gu, Hui-Jun; Zhang, Yue-Yu; Chen, Shi-You; Xiang, Hong-Jun; Gong, Xin-Gao

2018-06-01

The band offset between different semiconductors is an important physical quantity determining carrier transport properties near the interface in heterostructure devices. Computation of the natural band offset is a longstanding challenge. We propose an intermediate-phase method to predict the natural band offset between two structures with different symmetry, for which the superlattice model cannot be directly constructed. With this method and the intermediate phases obtained by our searching algorithm, we successfully calculate the natural band offsets for two representative systems: (i) zinc-blende CdTe and wurtzite CdS and (ii) diamond and graphite. The calculation shows that the valence band maximum (VBM) of zinc-blende CdTe lies 0.71 eV above that of wurtzite CdS, close to the result 0.76 eV obtained by the three-step method. For the natural band offset between diamond and graphite which could not be computed reliably with any superlattice methods, our calculation shows that the Fermi level of graphite lies 1.51 eV above the VBM of diamond using an intermediate phase. This method, under the assumption that the transitivity rule is valid, can be used to calculate the band offsets between any semiconductors with different symmetry on condition that the intermediate phase is reasonably designed.

Tunable magnetic and transport properties of Mn3Ga thin films on Ta/Ru seed layer

NASA Astrophysics Data System (ADS)

Hu, Fang; Xu, Guizhou; You, Yurong; Zhang, Zhi; Xu, Zhan; Gong, Yuanyuan; Liu, Er; Zhang, Hongguo; Liu, Enke; Wang, Wenhong; Xu, Feng

2018-03-01

Hexagonal D019-type Mn3Z alloys that possess large anomalous and topological-like Hall effects have attracted much attention due to their great potential in antiferromagnetic spintronic devices. Herein, we report the preparation of Mn3Ga films in both tetragonal and hexagonal phases with a tuned Ta/Ru seed layer on a thermally oxidized Si substrate. Large coercivity together with large anomalous Hall resistivity is found in the Ta-only sample with a mixed tetragonal phase. By increasing the thickness of the Ru layer, the tetragonal phase gradually disappears and a relatively pure hexagonal phase is obtained in the Ta(5)/Ru(30) buffered sample. Further magnetic and transport measurements revealed that the anomalous Hall conductivity nearly vanishes in the pure hexagonal sample, while an abnormal asymmetric hump structure emerges in the low field region. The extracted additional Hall term is robust in a large temperature range and presents a sign reversal above 200 K. The abnormal Hall properties are proposed to be closely related to the frustrated spin structure of D019 Mn3Ga.

Phase equilibria and crystal chemistry of rubidium niobates and rubidium tantalates

NASA Technical Reports Server (NTRS)

Minor, D. B.; Roth, R. S.; Parker, H. S.; Brower, W. S.

1977-01-01

The phase equilibria relations and crystal chemistry of portions of the Rb2O-Nb2O5 and Rb2O-Ta2O5 systems were investigated for structures potentially useful as ionic conductors. A hexagonal tungsten bronze-type (HTB) structure was found in both systems as well as three hexagonal phases with mixed HTB-pyrochlore type structures. Ion exchange experiments between various alkali ions are described for several phases. Unit cell dimensions and X-ray diffraction powder patterns are reported.

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.

Formation of Indium-Doped Zinc Oxide Thin Films Using Ultrasonic Spray Pyrolysis: The Importance of the Water Content in the Aerosol Solution and the Substrate Temperature for Enhancing Electrical Transport.

PubMed

Biswal, Rajesh; Castañeda, Luis; Moctezuma, Rosario; Vega-Pérez, Jaime; Olvera, María De La Luz; Maldonado, Arturo

2012-03-12

Indium doped zinc oxide [ZnO:In] thin films have been deposited at 430°C on soda-lime glass substrates by the chemical spray technique, starting from zinc acetate and indium acetate. Pulverization of the solution was done by ultrasonic excitation. The variations in the electrical, structural, optical, and morphological characteristics of ZnO:In thin films, as a function of both the water content in the starting solution and the substrate temperature, were studied. The electrical resistivity of ZnO:In thin films is not significantly affected with the increase in the water content, up to 200 mL/L; further increase in water content causes an increase in the resistivity of the films. All films show a polycrystalline character, fitting well with the hexagonal ZnO wurtzite-type structure. No preferential growth in samples deposited with the lowest water content was observed, whereas an increase in water content gave rise to a (002) growth. The surface morphology of the films shows a consistency with structure results, as non-geometrical shaped round grains were observed in the case of films deposited with the lowest water content, whereas hexagonal slices, with a wide size distribution were observed in the other cases. In addition, films deposited with the highest water content show a narrow size distribution.

Influence of molecular weight on the phase behavior and structure formation of branched side-chain hairy-rod polyfluorene in bulk phase

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

Knaapila, M.; Lyons, B.P.; Foreman, J.P.

We report on an experimental study of the self-organization and phase behavior of hairy-rod {pi}-conjugated branched side-chain polyfluorene, poly[9,9-bis(2-ethylhexyl)-fluorene-2,7-diyl] - i.e., poly[2,7-(9,9-bis(2-ethylhexyl)fluorene] (PF2/6) - as a function of molecular weight (M{sub n}). The results have been compared to those of phenomenological theory. Samples for which M{sub n}=3-147 kg/mol were used. First, the stiffness of PF2/6, the assumption of the theory, has been probed by small-angle neutron scattering in solution. Thermogravimetry has been used to show that PF2/6 is thermally stable over the conditions studied. Second, the existence of nematic and hexagonal phases has been phenomenologically identified for lower and highermore » M{sub n} (LMW, M{sub n}M{sub n}{sup *}) regimes, respectively, based on free-energy argument of nematic and hexagonal hairy rods and found to correspond to the experimental x-ray diffraction (XRD) results for PF2/6. By using the lattice parameters of PF2/6 as an experimental input, the nematic-hexagonal transition has been predicted in the vicinity of glassification temperature (T{sub g}) of PF2/6. Then, by taking the orientation parts of the free energies into account the nematic-hexagonal transition has been calculated as a function of temperature and M{sub n} and a phase diagram has been formed. Below T{sub g} of 80 deg. C only (frozen) nematic phase is observed for M{sub n}M{sub n}*. The nematic-hexagonal transition upon heating is observed for the HMW regime depending weakly on M{sub n}, being at 140-165 deg. C for M{sub n}>M{sub n}*. Third, the phase behavior and structure formation as a function of M{sub n} have been probed using powder and fiber XRD and differential scanning calorimetry and reasonable semiquantitative agreement with theory has been found for M{sub n}{>=}3 kg/mol. Fourth, structural characteristics are widely discussed. The nematic phase of LMW materials has been observed to be denser than high-temperature nematic phase of HMW compounds. The hexagonal phase has been found to be paracrystalline in the (ab0) plane but a genuine crystal meridionally. We also find that all these materials including the shortest 10-mer possess the formerly observed rigid five-helix hairy-rod molecular structure.« less

Stress-Induced Cubic-to-Hexagonal Phase Transformation in Perovskite Nanothin Films.

PubMed

Cao, Shi-Gu; Li, Yunsong; Wu, Hong-Hui; Wang, Jie; Huang, Baoling; Zhang, Tong-Yi

2017-08-09

The strong coupling between crystal structure and mechanical deformation can stabilize low-symmetry phases from high-symmetry phases or induce novel phase transformation in oxide thin films. Stress-induced structural phase transformation in oxide thin films has drawn more and more attention due to its significant influence on the functionalities of the materials. Here, we discovered experimentally a novel stress-induced cubic-to-hexagonal phase transformation in the perovskite nanothin films of barium titanate (BaTiO 3 ) with a special thermomechanical treatment (TMT), where BaTiO 3 nanothin films under various stresses are annealed at temperature of 575 °C. Both high-resolution transmission electron microscopy and Raman spectroscopy show a higher density of hexagonal phase in the perovskite thin film under higher tensile stress. Both X-ray photoelectron spectroscopy and electron energy loss spectroscopy does not detect any change in the valence state of Ti atoms, thereby excluding the mechanism of oxygen vacancy induced cubic-to-hexagonal (c-to-h) phase transformation. First-principles calculations show that the c-to-h phase transformation can be completed by lattice shear at elevated temperature, which is consistent with the experimental observation. The applied bending plus the residual tensile stress produces shear stress in the nanothin film. The thermal energy at the elevated temperature assists the shear stress to overcome the energy barriers during the c-to-h phase transformation. The stress-induced phase transformation in perovskite nanothin films with TMT provides materials scientists and engineers a novel approach to tailor nano/microstructures and properties of ferroelectric materials.

Decoupling interface effect on the phase stability of CdS thin films by van der Waals heteroepitaxy

NASA Astrophysics Data System (ADS)

Sun, Xin; Wang, Yiping; Seewald, Lucas J.; Chen, Zhizhong; Shi, Jian; Washington, Morris A.; Lu, Toh-Ming

2017-01-01

Wurtzite (W) and zinc-blende (ZB) polytypism has long been observed in epitaxial CdS thin films. The present work, based on van der Waals epitaxial CdS thin films, is an attempt to explain which crystal modification, W or ZB, is favored under different growth conditions. In this van der Waals epitaxy system where the substrate influence is considered weak, it is found that the substrate temperature plays a crucial role in determining the crystal modification of CdS, that is, W and ZB CdS are more stable at low and high ends of substrate temperature, respectively. We attribute this temperature effect to the entropy difference (SW < SZB), a conclusion well supported by the thermodynamic hard sphere model formulation of the entropy difference between hexagonal close-packed and face-centered cubic structures. By summarizing other works, we find that the entropy difference model can also be applied to large mismatched (≳3%) CdS-substrate chemical epitaxy systems but not for small mismatched (≲3%) ones. In the latter case, the energy benefit in terms of high density of bonding contributed by the substrate-film interface is believed to be too overwhelming for the intrinsic entropy difference to overcome. Furthermore, the deposition rate is found to affect the crystalline quality and strain level in CdS films but not the crystal modification of the CdS films. Last, Raman and photoluminescence spectroscopies reveal the strain behaviors in the films. The phase change from W to ZB CdS is well-correlated with the observed peak shifts in Raman and photoluminescence spectroscopies.

Synthesis, structural, optical and dielectric properties of transition metal doped ZnMnO nanoparticles by sol-gel combustion technique

NASA Astrophysics Data System (ADS)

Dar, M. A.; Varshney, Dinesh

2018-02-01

Nanocrystalline samples of Zn0.94Mn0.06O and transition metal (TM) doped Zn0.94Mn0.01TM0.05O (TM = Co, Ni, and Cu) were prepared by sol-gel auto combustion method. X-ray diffraction (XRD) pattern infers that all synthesized samples except Zn0.94Mn0.01Ni0.05O and Zn0.94Mn0.01Cu0.05O with secondary phases of NiO and CuO are in single phase with hexagonal wurtzite structure (P63mc space group). Raman spectroscopy reveals four vibrational phonon modes are centered at 331, 380, 410, and 438 cm-1, assigned as E2 (H)-E2(L), A1(TO), E1(TO), and E1(LO) modes, respectively. A Raman spectrum of Zn0.94Mn0.01TM0.05O is entirely different from undoped Zn0.94Mn0.06O sample. Also, the infrared spectrum of transition metal doped samples is completely different from undoped Zn0.94Mn0.06O. Similar spectra are observed for Zn0.94Mn0.01Co0.05O, Zn0.94Mn0.01NiO, Zn0.94Mn0.01Cu0.05O and Zn0.94Mn0.01Zn0.05O samples. It was found that the band gap of Zn0.94Mn0.06O increased from 3.19 to 3.25eV by doping 5% transition metal oxide. Improved dielectric constant and reduced dielectric loss is measured for Zn0.94Mn0.01Ni/Cu0.05O as compared to Zn0.94Mn0.06O.

Comparative study for highly Al and Mg doped ZnO thin films elaborated by sol gel method for photovoltaic application

NASA Astrophysics Data System (ADS)

El Hallani, G.; Nasih, S.; Fazouan, N.; Liba, A.; Khuili, M.; Sajieddine, M.; Mabrouki, M.; Laanab, L.; Atmani, E. H.

2017-04-01

Transparent conducting oxides such as ZnO doped with Al or Mg are commonly used in solar cells, light emitting diodes, photodetectors, and ultraviolet laser diodes. In our work, we focus on a comparative study of the structural, optical, and electrical properties of ZnO films highly doped with Al (AZO) and Mg (MZO). These films are deposited on glass substrates by the sol-gel spin coating method. The doping concentrations for Al and Mg are fixed to 5%-30%. The XRD spectra indicate that all the samples are polycrystalline with hexagonal wurtzite structures, exhibiting a preferred orientation along the (002) plane. Low degradation in crystallinity was observed for MZO even at a Mg concentration of 30%. The MgO phase started to appear compared to Al-doped layers where smaller grains are formed inducing a deterioration in the films just after doping but no new phase appeared. This result is in agreement with other experimental results [J. K. Rath, Sol. Energy Mater. Sol. Cells 76, 431-487 (2003); Morris et al., J. Appl. Phys. 67, 1079-1087 (1990)]. By AFM analysis, the results indicate a significantly rough surface for MZO compared to AZO films. For equal Al and Mg dopant concentrations, we observe that the transmittance spectra of MZO thin films are wider than those of AZO, indicating a shift toward shorter wavelengths with an optical gap energy equal to 3.67 eV. The electrical measurements of AZO and MZO thin films were made using the I-V characteristic obtained by the four probe method. All the films present an ohmic behavior. The conductivity and the mobility of AZO films were found to be better than those of MZO.

Strong and weak second-order topological insulators with hexagonal symmetry and ℤ3 index

NASA Astrophysics Data System (ADS)

Ezawa, Motohiko

2018-06-01

We propose second-order topological insulators (SOTIs) whose lattice structure has a hexagonal symmetry C6. We start with a three-dimensional weak topological insulator constructed on a stacked triangular lattice, which has only side topological surface states. We then introduce an additional mass term which gaps out the side surface states but preserves the hinge states. The resultant system is a three-dimensional SOTI. The bulk topological quantum number is shown to be the Z3 index protected by inversion time-reversal symmetry I T and rotoinversion symmetry I C6 . We obtain three phases: trivial, strong, and weak SOTI phases. We argue the origin of these two types of SOTIs. A hexagonal prism is a typical structure respecting these symmetries, where six topological hinge states emerge at the side. The building block is a hexagon in two dimensions, where topological corner states emerge at the six corners in the SOTI phase. Strong and weak SOTIs are obtained when the interlayer hopping interaction is strong and weak, respectively.

Threefold rotational symmetry in hexagonally shaped core-shell (In,Ga)As/GaAs nanowires revealed by coherent X-ray diffraction imaging.

PubMed

Davtyan, Arman; Krause, Thilo; Kriegner, Dominik; Al-Hassan, Ali; Bahrami, Danial; Mostafavi Kashani, Seyed Mohammad; Lewis, Ryan B; Küpers, Hanno; Tahraoui, Abbes; Geelhaar, Lutz; Hanke, Michael; Leake, Steven John; Loffeld, Otmar; Pietsch, Ullrich

2017-06-01

Coherent X-ray diffraction imaging at symmetric hhh Bragg reflections was used to resolve the structure of GaAs/In 0.15 Ga 0.85 As/GaAs core-shell-shell nanowires grown on a silicon (111) substrate. Diffraction amplitudes in the vicinity of GaAs 111 and GaAs 333 reflections were used to reconstruct the lost phase information. It is demonstrated that the structure of the core-shell-shell nanowire can be identified by means of phase contrast. Interestingly, it is found that both scattered intensity in the (111) plane and the reconstructed scattering phase show an additional threefold symmetry superimposed with the shape function of the investigated hexagonal nanowires. In order to find the origin of this threefold symmetry, elasticity calculations were performed using the finite element method and subsequent kinematic diffraction simulations. These suggest that a non-hexagonal (In,Ga)As shell covering the hexagonal GaAs core might be responsible for the observation.

Low-temperature self-limiting atomic layer deposition of wurtzite InN on Si(100)

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

Haider, Ali, E-mail: ali.haider@bilkent.edu.tr, E-mail: biyikli@unam.bilkent.edu.tr; Kizir, Seda; Biyikli, Necmi, E-mail: ali.haider@bilkent.edu.tr, E-mail: biyikli@unam.bilkent.edu.tr

2016-04-15

In this work, we report on self-limiting growth of InN thin films at substrate temperatures as low as 200 °C by hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD). The precursors used in growth experiments were trimethylindium (TMI) and N{sub 2} plasma. Process parameters including TMI pulse time, N{sub 2} plasma exposure time, purge time, and deposition temperature have been optimized for self-limiting growth of InN with in ALD window. With the increase in exposure time of N{sub 2} plasma from 40 s to 100 s at 200 °C, growth rate showed a significant decrease from 1.60 to 0.64 Å/cycle. At 200 °C, growth ratemore » saturated as 0.64 Å/cycle for TMI dose starting from 0.07 s. Structural, optical, and morphological characterization of InN were carried out in detail. X-ray diffraction measurements revealed the hexagonal wurtzite crystalline structure of the grown InN films. Refractive index of the InN film deposited at 200 °C was found to be 2.66 at 650 nm. 48 nm-thick InN films exhibited relatively smooth surfaces with Rms surface roughness values of 0.98 nm, while the film density was extracted as 6.30 g/cm{sup 3}. X-ray photoelectron spectroscopy (XPS) measurements depicted the peaks of indium, nitrogen, carbon, and oxygen on the film surface and quantitative information revealed that films are nearly stoichiometric with rather low impurity content. In3d and N1s high-resolution scans confirmed the presence of InN with peaks located at 443.5 and 396.8 eV, respectively. Transmission electron microscopy (TEM) and selected area electron diffraction (SAED) further confirmed the polycrystalline structure of InN thin films and elemental mapping revealed uniform distribution of indium and nitrogen along the scanned area of the InN film. Spectral absorption measurements exhibited an optical band edge around 1.9 eV. Our findings demonstrate that HCPA-ALD might be a promising technique to grow crystalline wurtzite InN thin films at low substrate temperatures.« less

Electronic and optical properties of graphene-like InAs: An ab initio study

NASA Astrophysics Data System (ADS)

Sohrabi, Leila; Boochani, Arash; Ali Sebt, S.; Mohammad Elahi, S.

2018-03-01

The present work initially investigates structural, optical, and electronic properties of graphene-like InAs by using the full potential linear augmented plane wave method in the framework of density functional theory and is then compared with the bulk Indium Arsenide in the wurtzite phase. The lattice parameters are optimized with GGA-PBE and LDA approximations for both 2D- and 3D-InAs. In order to study the electronic properties of graphene-like InAs and bulk InAs in the wurtzite phase, the band gap is calculated by GGA-PBG and GGA-EV approximations. Moreover, optical parameters of graphene-like InAs and bulk InAs such as the real and imaginary parts of dielectric function, electron energy loss function, refractivity, extinction and absorption coefficients, and optical conductivity are investigated. Plasmonic frequencies of 2D- and 3D-InAs are also calculated by using maximum electron energy loss function and the roots of the real part of the dielectric function.

Electron transport and electron energy distributions within the wurtzite and zinc-blende phases of indium nitride: Response to the application of a constant and uniform electric field

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

Siddiqua, Poppy; Hadi, Walid A.; Salhotra, Amith K.

2015-03-28

Within the framework of an ensemble semi-classical three-valley Monte Carlo electron transport simulation approach, we critically contrast the nature of the electron transport that occurs within the wurtzite and zinc-blende phases of indium nitride in response to the application of a constant and uniform electric field. We use the electron energy distribution and its relationship with the electron transport characteristics in order to pursue this analysis. For the case of zinc-blende indium nitride, only a peak corresponding to the electrons within the lowest energy conduction band valley is observed, this peak being seen to broaden and shift to higher energiesmore » in response to increases in the applied electric field strength, negligible amounts of upper energy conduction band valley occupancy being observed. In contrast, for the case of wurtzite indium nitride, in addition to the aforementioned lowest energy conduction band valley peak in the electron energy distribution, and its broadening and shifting to higher energies in response to increases in the applied electric field strength, beyond a certain critical electric field strength, 30 kV/cm for the case of this particular material, upper energy conduction band valley occupancy is observed, this occupancy being further enhanced in response to further increases in the applied electric field strength. Reasons for these results are provided. The potential for device consequences is then commented upon.« less

Pure wurtzite GaP nanowires grown on zincblende GaP substrates by selective area vapor liquid solid epitaxy

NASA Astrophysics Data System (ADS)

Halder, Nripendra N.; Kelrich, Alexander; Cohen, Shimon; Ritter, Dan

2017-11-01

We report on the growth of single phase wurtzite (WZ) GaP nanowires (NWs) on GaP (111) B substrates by metal organic molecular beam epitaxy following the selective area vapor-liquid-solid (SA-VLS) approach. During the SA-VLS process, precursors are supplied directly to the NW sidewalls, and the short diffusion length of gallium (or its precursors) does not significantly limit axial growth. Transmission electron microscopy (TEM) images reveal that no stacking faults are present along a 600 nm long NW. The lattice constants of the pure WZ GaP obtained from the TEM images agree with values determined previously by x-ray diffraction from non-pure NW ensembles.

Pure wurtzite GaP nanowires grown on zincblende GaP substrates by selective area vapor liquid solid epitaxy.

PubMed

Halder, Nripendra N; Kelrich, Alexander; Cohen, Shimon; Ritter, Dan

2017-11-17

We report on the growth of single phase wurtzite (WZ) GaP nanowires (NWs) on GaP (111) B substrates by metal organic molecular beam epitaxy following the selective area vapor-liquid-solid (SA-VLS) approach. During the SA-VLS process, precursors are supplied directly to the NW sidewalls, and the short diffusion length of gallium (or its precursors) does not significantly limit axial growth. Transmission electron microscopy (TEM) images reveal that no stacking faults are present along a 600 nm long NW. The lattice constants of the pure WZ GaP obtained from the TEM images agree with values determined previously by x-ray diffraction from non-pure NW ensembles.

Real-time observation of morphological transformations in II-VI semiconducting nanobelts via environmental transmission electron microscopy

DOE PAGES

Agarwal, Rahul; Zakharov, Dmitri N.; Krook, Nadia M.; ...

2015-05-01

It has been observed that wurtzite II–VI semiconducting nanobelts transform into single-crystal, periodically branched nanostructures upon heating. The mechanism of this novel transformation has been elucidated by heating II–VI nanobelts in an environmental transmission electron microscope (ETEM) in oxidizing, reducing and inert atmospheres while observing their structural changes with high spatial resolution. The interplay of surface reconstruction of high-energy surfaces of the wurtzite phase and environment-dependent anisotropic chemical etching of certain crystal surfaces in the branching mechanism of nanobelts has been observed. Understanding of structural and chemical transformations of materials via in situ microscopy techniques and their role in designingmore » new nanostructured materials is discussed.« less

Investigations of Ba{sub x}Sr{sub 1−x}TiO{sub 3} ceramics and powders prepared by direct current arc discharge technique

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

Li, Shuangbin; Wang, Xiaohan; University of Chinese Academy of Sciences, Beijing 100049

2014-09-01

Ba{sub x}Sr{sub 1−x}TiO{sub 3} ceramics with x ranging from 0 to 1 were prepared by direct current arc discharge technique and studied by means of x-ray diffraction (XRD) and Raman spectroscopy. The cubic-tetragonal ferroelectric phase transition in Ba{sub x}Sr{sub 1−x}TiO{sub 3} ceramics was found to occur at x ≈ 0.75. XRD investigation of as-grown BaTiO{sub 3} ceramics revealed co-existence of tetragonal and hexagonal modifications with a small amount of impurity phase BaTi{sub 4}O{sub 9}. No evidences of hexagonal phase were observed in Raman spectra of as-grown BaTiO{sub 3} ceramics, while Raman peaks related to hexagonal phase were clearly observed in the spectrummore » of fine-grain powders prepared from the same ceramics. A core-shell model for BaTiO{sub 3} ceramics prepared by direct current arc discharge technique is proposed. Absence of the hexagonal phase in any Ba{sub x}Sr{sub 1−x}TiO{sub 3} solid solution with x < 1 is discussed in the frame of specific atomic arrangement.« less

An exact solution for the steady state phase distribution in an array of oscillators coupled on a hexagonal lattice

NASA Technical Reports Server (NTRS)

Pogorzelski, Ronald J.

2004-01-01

When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.

Pressure-induced phase transition in GaN nanocrystals

NASA Astrophysics Data System (ADS)

Cui, Q.; Pan, Y.; Zhang, W.; Wang, X.; Zhang, J.; Cui, T.; Xie, Y.; Liu, J.; Zou, G.

2002-11-01

High-pressure in situ energy-dispersive x-ray diffraction experiments on GaN nanocrystals with 50 nm diameter have been carried out using a synchrotron x-ray source and a diamond-anvil cell up to about 79 GPa at room temperature. A pressure-induced first-order structural phase transition from the wurtzite-type structure to the rock-salt-type structure starts at about 48.8 GPa. The rock-salt-type phase persists to the highest pressure in our experimental range.

Hydride VPE: the unexpected process for the fast growth of GaAs and GaN nanowires with record aspect ratio and polytypism-free crystalline structure

NASA Astrophysics Data System (ADS)

André, Yamina; Trassoudaine, Agnès.; Avit, Geoffrey; Lekhal, Kaddour; Ramdani, Mohammed R.; Leroux, Christine; Monier, Guillaume; Varenne, Christelle; Hoggan, Philip; Castelluci, Dominique; Bougerol, Catherine; Réveret, François; Leymarie, Joël.; Petit, Elodie; Dubrovskii, Vladimir G.; Gil, Evelyne

2013-12-01

Hydride Vapor Phase Epitaxy (HVPE) makes use of chloride III-Cl and hydride V-H3 gaseous growth precursors. It is known as a near-equilibrium process, providing the widest range of growth rates from 1 to more than 100 μm/h. When it comes to metal catalyst-assisted VLS (vapor-liquid-solid) growth, the physics of HVPE growth is maintained: high dechlorination frequency, high axial growth rate of nanowires (NWs) up to 170 μm/h. The remarkable features of NWs grown by HVPE are the untapered morphology with constant diameter and the stacking fault-free crystalline phase. Record pure zinc blende cubic phase for 20 μm long GaAs NWs with radii of 10 and 5 nm is shown. The absence of wurtzite phase in GaAs NWs grown by HVPE whatever the diameter is discussed with respect to surface energetic grounds and kinetics. Ni assisted, Ni-Au assisted and catalyst-free HVPE growth of wurtzite GaN NWs is also addressed. Micro-photoluminescence spectroscopy analysis revealed GaN nanowires of great optical quality, with a FWHM of 1 meV at 10 K for the neutral donor bound exciton transition.

Non-Reciprocal on Wafer Microwave Devices

DTIC Science & Technology

2015-05-27

filter uses a barium hexagonal ferrite film incorporated into the dielectric layer of a microstrip transmission line. The zero-field operational...Fal,, Robert E. Camley. Millimeter wave phase shifter based on ferromagnetic resonancein a hexagonal barium ferrite thin film, Applied Physics...materials for on-wafer microwave devices concentrated on barium hexagonal ferrite (BaM) films grown on Si because these material is a good candidate

Active hexagonally segmented mirror to investigate new optical phasing technologies for segmented telescopes.

PubMed

Gonté, Frédéric; Dupuy, Christophe; Luong, Bruno; Frank, Christoph; Brast, Roland; Sedghi, Baback

2009-11-10

The primary mirror of the future European Extremely Large Telescope will be equipped with 984 hexagonal segments. The alignment of the segments in piston, tip, and tilt within a few nanometers requires an optical phasing sensor. A test bench has been designed to study four different optical phasing sensor technologies. The core element of the test bench is an active segmented mirror composed of 61 flat hexagonal segments with a size of 17 mm side to side. Each of them can be controlled in piston, tip, and tilt by three piezoactuators with a precision better than 1 nm. The context of this development, the requirements, the design, and the integration of this system are explained. The first results on the final precision obtained in closed-loop control are also presented.

Pressure-induced Structural Transformations in LanthanideTitanates: La2TiO5 and Nd2TiO5

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

F Zhang; J Wang; M Lang

The structure of orthorhombic rare earth titanates of La{sub 2}TiO{sub 5} and Nd{sub 2}TiO{sub 5}, where Ti cations are in five-fold coordination with oxygen, has been studied at high pressures by X-ray diffraction (XRD), Raman scattering measurements, and quantum mechanical calculations. Both XRD and Raman results indicated two pressure-induced phase transitions during the process. An orthorhombic super cell (a x b x 2c) formed at a pressure between 6 and 10 GPa, and then transformed to a hexagonal high-pressure phase accompanied by partial decomposition. The hexagonal high-pressure phase is quenchable. Detailed structural analysis indicated that the five-coordinated TiO{sub 5} polyhedramore » remain during the formation of super cell, but the orthorhombic-to-hexagonal phase transition at high pressures is a reconstructive process, and the five-fold Ti-O coordination increased to more than 6. This phase transition sequence was verified by quantum mechanical calculations.« less

Quaternary schematics for property engineering of CdSe thin films

NASA Astrophysics Data System (ADS)

Chavan, G. T.; Pawar, S. T.; Prakshale, V. M.; Sikora, A.; Pawar, S. M.; Chaure, N. B.; Kamble, S. S.; Maldar, N. N.; Deshmukh, L. P.

2017-12-01

The synthesis of quaternary Cd1-xZnxSySe1-y (0 ≤ x = y ≤ 0.35) thin films was done through indigenously developed chemical solution growth process. As-obtained thin films were subjected to the physical, chemical, structural and optical characterizations. The nearly hydrophobic nature of the as-deposited films except binary CdSe was observed through the wettability studies. The colorimetric studies supported a change in physical color attributes. The elemental analysis done confirmed the formation of Cd(Zn, S)Se and the chemical states of constituent elements as Cd2+, Zn2+, S2- and Se2-. Structural assessment suggested the formation of the polycrystalline quaternary phase of the hexagonal wurtzite structure. The Raman spectroscopy was also employed for the confirmation studies on Cd1-xZnxSySe1-y thin films. Morphological observations indicated microstructural transformation from an aggregated bunch of nano-sized globular grains into a rhomboid network of petal/flakes like crystallites. The atomic force micrographs (AFM) revealed the enhancement in the hillock structures. From advanced AFM characterizations, we observed that the CdSe thin film has leptokurtic (Sku = 3.23) surface, whereas, quaternary Cd(Zn, S)Se films have platykurtic (Sku < 3) surface. The orientation of the surface morphology was observed through the angular spectrum studies. The optical absorption studies revealed direct allowed transition for the films with a continuous modulation of the energy bandgap from 1.8 eV to 2.31 eV.

Characteristics of ZnO nanostructures synthesized by sonochemical reaction: Effects of continuous and pulse waves

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

Widiyastuti, W., E-mail: widi@chem-eng.its.ac.id; Machmudah, Siti; Kusdianto,

Nanostructured ZnO was synthesized by a sonochemical reaction. Ultrasonic irradiation were set up in continuous, pulse in 3 seconds on and a second off (on:off=3:1), and pulse in 2 seconds on and a second off (on:off=2:1) wave modes for 1.5 hours. The characteristics of particles generated by these modes such as morphology, crystallinity, FTIR, photoluminescence, and photocatalytic activity to degrade methylene blue were compared. Zinc nitrate and ammonia water-based solutions were selected as chemicals without the addition of other surfactants. The morphology of the generated ZnO particles could be tuned from flower-like, needle- or hairy-like, and spherical structures by changingmore » the mode of ultrasonic irradiation from continuous, on:off=3:1, and on:off=2:1 modes, respectively. The generated particles indicated that a wurtzite structure of ZnO in a hexagonal phase was formed. The crystalline sizes of particles generated in continuous, on:off=3:1, and on:off=2:1 modes were 28, 27, 24 nm. A similar position of reduction peak of FTIR in all samples indicated that no differences in particles chemical bonding characteristics. Photoluminescence intensity was also decreased with changes the wave mode from continuous to pulse. Photocatalytic activity was also evaluated resulting in particles synthesized by continuous mode had the highest methylene blue degradation degree following by on:off=3:1, and on:off=2:1 modes.« less

Synthesis and spectroscopic study of CdS nanoparticles using hydrothermal method

NASA Astrophysics Data System (ADS)

AL-Mamoori, Mohammed H. K.; Mahdi, Dunia K.; Al-Shrefi, Saif M.

2018-05-01

In this work, cadmium sulfide nanoparticles (powder) with diameter 50.8 nm was prepared using hydrothermal method. The structural and optical properties of CdS nanoparticles was studied by X-ray diffraction, FESEM, EDS, FTIR, UV-Diffuse Reflectance spectroscopy and Photoluminance spectrum. X-ray diffraction reveal the formation the purity of prepared phase of CdS particles with hexagonal wurtzite structure with particle size 31.8nm by using sheerer equation. The energy dispersion scattering (EDS) examination explains that the sample is composed of a large amount of Cd and S which are exactly CdS nanoparticles and there is a very small trace of (Zn) and (O) element observed because of there is a small pollutions in the measurement place of samples. FESEM shows the spherical shape of nanoparticles with around 50.8 nm diameter. The optical absorption spectral study identified the red shift of the sample in comparison to bulk ZnO in three dimensions. Photoluminance spectrum (PL) at room temperature showed that there are two luminescence peaks at 433.14 nm and 518.21nm. Samples demonstrate a sharp emission band at around 433.18 nm, which is attributed to the typical exciton luminescence. The broad band at 518.21nm which were attributed to the trapped luminescence. The green emission band at 518.21 nm was associated with the emission due to electronic transition from the conduction band to an accepter level due to interstitial sulphur ion.

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.

Structural and morphological study of Zn0.9Mn0.05Fe0.05O synthesized by sol-gel wet chemical precipitation route

NASA Astrophysics Data System (ADS)

Jain, S. K.; Dolia, S. N.; Choudhary, B. L.; Prashant, B. L.

2018-04-01

Transition metal substituted Zinc oxide (ZnO) has drawn a great deal of attention due to its excellent properties. Zn0.9Mn0.05Fe0.05O sample synthesized was by Sol-gel wet chemical precipitation route at temperature 350°C. The crystallinity and the structure of Zn0.9Mn0.05Fe0.05O was determined by X-ray diffraction by Cu-Kα radiations operated at 40kV and 35mA in the range of 20° to 80°. The pattern gets indexed in wurtzite (hexagonal) structure with lattice constants a=b=3.2525Å and c=5.2071Å and approves the single phase material with no impurity. The values of particle size assessed by Debye Scherer’s (DS) formula lie in the range of 13nm to 33nm indicating the nano-crystalline nature of the sample. The morphological analysis of the sample was performed by Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM) measurements. The observed size of Zn0.9Mn0.05Fe0.05O nanoparticles by TEM micrograph exhibits the similar trend with the size calculated by Debye-Scherer formula. TEM image show the irregular shape of the nanoparticles and particle size lies in the range of 10-35nm. Similar to SEM image, the slight agglomeration of the nanoparticles have been observed from TEM.

Hydrothermal process assists undoped and Cr-doped semiconducting ZnO nanorods: Frontier of dielectric property

NASA Astrophysics Data System (ADS)

Debnath, Tanumoy; Saha, Papiya; Patra, Nesla; Das, Sukhen; Sutradhar, Soumyaditya

2018-05-01

The influence of the hydrothermal synthesis route on the grain morphology and thereby the modulation of dielectric response of undoped and Cr3+ ion doped semiconducting ZnO nanoparticles is investigated in this report. The X-ray diffraction study reveals that all the samples are in a polycrystalline single phase of a hexagonal wurtzite structure of ZnO. The field emission scanning electron microscopy study reveals the rod like structure of all the samples. The formation of synthesis route dependent morphology and the morphology dependent physical property of all the samples are the characteristic features of the present work and to date it has not been considered as the specific tool of dielectric property modulation by anyone else. The ultraviolet-visible measurement signifies the superior control over the charge density of the host semiconducting material due to the presence of Cr3+ ions in the structure of ZnO. In the photoluminescence measurement, no significant peak has been observed in the visible region. The frequency and temperature dependent dielectric constants of all the samples were investigated. The consequences of the dielectric measurement suggest that the hydrothermal synthesis route influences the growth mechanism of the semiconducting nanoparticles mostly towards the rod like structure and the doping element influences the charge density, nature of defects, and the defect densities inside the structure of ZnO nanomaterials. All these factors together make the semiconducting ZnO nanomaterials more effective for tailor made applications in magneto-dielectric devices.

Fabrication of Well-Aligned ZnO Nanorods Using a Composite Seed Layer of ZnO Nanoparticles and Chitosan Polymer.

PubMed

Khun, Kimleang; Ibupoto, Zafar Hussain; AlSalhi, Mohamad S; Atif, Muhammad; Ansari, Anees A; Willander, Magnus

2013-09-30

In this study, by taking the advantage of both inorganic ZnO nanoparticles and the organic material chitosan as a composite seed layer, we have fabricated well-aligned ZnO nanorods on a gold-coated glass substrate using the hydrothermal growth method. The ZnO nanoparticles were characterized by the Raman spectroscopic techniques, which showed the nanocrystalline phase of the ZnO nanoparticles. Different composites of ZnO nanoparticles and chitosan were prepared and used as a seed layer for the fabrication of well-aligned ZnO nanorods. Field emission scanning electron microscopy, energy dispersive X-ray, high-resolution transmission electron microscopy, X-ray diffraction, and infrared reflection absorption spectroscopic techniques were utilized for the structural characterization of the ZnO nanoparticles/chitosan seed layer-coated ZnO nanorods on a gold-coated glass substrate. This study has shown that the ZnO nanorods are well-aligned, uniform, and dense, exhibit the wurtzite hexagonal structure, and are perpendicularly oriented to the substrate. Moreover, the ZnO nanorods are only composed of Zn and O atoms. An optical study was also carried out for the ZnO nanoparticles/chitosan seed layer-coated ZnO nanorods, and the obtained results have shown that the fabricated ZnO nanorods exhibit good crystal quality. This study has provided a cheap fabrication method for the controlled morphology and good alignment of ZnO nanorods, which is of high demand for enhancing the working performance of optoelectronic devices.

Fabrication of Well-Aligned ZnO Nanorods Using a Composite Seed Layer of ZnO Nanoparticles and Chitosan Polymer

PubMed Central

Khun, Kimleang; Ibupoto, Zafar Hussain; AlSalhi, Mohamad S.; Atif, Muhammad; Ansari, Anees A.; Willander, Magnus

2013-01-01

In this study, by taking the advantage of both inorganic ZnO nanoparticles and the organic material chitosan as a composite seed layer, we have fabricated well-aligned ZnO nanorods on a gold-coated glass substrate using the hydrothermal growth method. The ZnO nanoparticles were characterized by the Raman spectroscopic techniques, which showed the nanocrystalline phase of the ZnO nanoparticles. Different composites of ZnO nanoparticles and chitosan were prepared and used as a seed layer for the fabrication of well-aligned ZnO nanorods. Field emission scanning electron microscopy, energy dispersive X-ray, high-resolution transmission electron microscopy, X-ray diffraction, and infrared reflection absorption spectroscopic techniques were utilized for the structural characterization of the ZnO nanoparticles/chitosan seed layer-coated ZnO nanorods on a gold-coated glass substrate. This study has shown that the ZnO nanorods are well-aligned, uniform, and dense, exhibit the wurtzite hexagonal structure, and are perpendicularly oriented to the substrate. Moreover, the ZnO nanorods are only composed of Zn and O atoms. An optical study was also carried out for the ZnO nanoparticles/chitosan seed layer-coated ZnO nanorods, and the obtained results have shown that the fabricated ZnO nanorods exhibit good crystal quality. This study has provided a cheap fabrication method for the controlled morphology and good alignment of ZnO nanorods, which is of high demand for enhancing the working performance of optoelectronic devices. PMID:28788336

Characteristics of ZnO nanostructures synthesized by sonochemical reaction: Effects of continuous and pulse waves

NASA Astrophysics Data System (ADS)

Widiyastuti, W.; Machmudah, Siti; Kusdianto, Nurtono, Tantular; Winardi, Sugeng

2015-12-01

Nanostructured ZnO was synthesized by a sonochemical reaction. Ultrasonic irradiation were set up in continuous, pulse in 3 seconds on and a second off (on:off=3:1), and pulse in 2 seconds on and a second off (on:off=2:1) wave modes for 1.5 hours. The characteristics of particles generated by these modes such as morphology, crystallinity, FTIR, photoluminescence, and photocatalytic activity to degrade methylene blue were compared. Zinc nitrate and ammonia water-based solutions were selected as chemicals without the addition of other surfactants. The morphology of the generated ZnO particles could be tuned from flower-like, needle- or hairy-like, and spherical structures by changing the mode of ultrasonic irradiation from continuous, on:off=3:1, and on:off=2:1 modes, respectively. The generated particles indicated that a wurtzite structure of ZnO in a hexagonal phase was formed. The crystalline sizes of particles generated in continuous, on:off=3:1, and on:off=2:1 modes were 28, 27, 24 nm. A similar position of reduction peak of FTIR in all samples indicated that no differences in particles chemical bonding characteristics. Photoluminescence intensity was also decreased with changes the wave mode from continuous to pulse. Photocatalytic activity was also evaluated resulting in particles synthesized by continuous mode had the highest methylene blue degradation degree following by on:off=3:1, and on:off=2:1 modes.

Facile synthesis of highly uniform Mn/Co-codoped ZnO nanowires: optical, electrical, and magnetic properties.

PubMed

Li, Huifeng; Huang, Yunhua; Zhang, Qi; Qiao, Yi; Gu, Yousong; Liu, Jing; Zhang, Yue

2011-02-01

In this article, Co/Mn-codoped ZnO nanowires (NWs) were successfully synthesized on a silicon substrate by the thermal evaporation method with Au catalyst. The X-ray diffraction pattern indicated that the Co/Mn-codoped ZnO NWs are a hexagonal wurtzite structure without a second phase, and energy dispersive X-ray spectroscopy revealed that the Co and Mn ions were introduced into the ZnO NWs with the content of ∼0.8 at% and ∼1.2 at%, respectively. Photoluminescence spectra and Raman spectra showed that the Co/Mn were doped into the NWs and resulted in the shift of the near-band-edge emission. Moreover, the novel Raman peak at 519.3 cm(-1) has suggested that the two kinds of cations via doping could affect the local polarizability. Compared with the undoped ZnO NW, the electrical measurement showed that the Co/Mn-codoping enhanced the conductivity by an order of magnitude due to the presence of Co, Mn cations. The electron mobility and carrier concentration of a fabricated field effect transistor (FET) device is 679 cm2 V(-1) s(-1) and 2×10(18) cm(-3), respectively. Furthermore, the M-H curve demonstrated that the Co/Mn-codoped ZnO NWs have obvious ferromagnetic characteristics at room temperature. Our study enhances the understanding of the novel performances of transition-metal codoped ZnO NWs and also provides a potential way to fabricate optoelectronic devices.

Growth of potassium niobate micro-hexagonal tablets with monoclinic phase and its excellent piezoelectric property

NASA Astrophysics Data System (ADS)

Chen, Zhong; Huang, Jingyun; Wang, Ye; Yang, Yefeng; Wu, Yongjun; Ye, Zhizhen

2012-09-01

Potassium niobate micro-hexagonal tablets were synthesized through hydrothermal reaction with KOH, H2O and Nb2O5 as source materials by using a polycrystalline Al2O3 as substrate. X-ray diffraction, Raman spectra and selected area electron diffraction analysis results indicated that the tablets exhibit monoclinic phase structure and are highly crystallized. Meanwhile, piezoelectric property of the micro-hexagonal tablets was investigated. The as-synthesized tablets exhibit excellent piezoactivities in the experiments, and an effective piezoelectric coefficient of around 80 pm/V was obtained. The tablets have huge potential applications in micro/nano-integrated piezoelectric and optical devices.

Thermal stability of hexagonal OsB2

NASA Astrophysics Data System (ADS)

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A.; Andrew Payzant, E.

2014-11-01

The synthesis of novel hexagonal ReB2-type OsB2 ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of 10B and 11B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched 11B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB2 phase was the main product of synthesis with a small quantity of Os2B3 phase present after synthesis as an intermediate product. In the second case, where coarse crystalline 11B powder was used as a raw material, only Os2B3 boride was synthesized mechanochemically. The thermal stability of hexagonal OsB2 powder was studied by heating under argon up to 876 °C and cooling in vacuo down to -225 °C. During the heating, the sacrificial reaction 2OsB2+3O2→2Os+2B2O3 took place due to presence of O2/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B2O3 and precipitation of Os metal out of the OsB2 lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB2 changed significantly. The shrinkage of the a lattice parameter was recorded in 276-426 °C temperature range upon heating, which was attributed to the removal of B atoms from the OsB2 lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O2, the hexagonal OsB2 ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice parameters and no phase changes detected during cooling.

Magnetic transition temperatures follow crystallographic symmetry in Samarium under high-pressures and low-temperatures

DOE PAGES

Vohra, Yogesh K.; Tsoi, Georgiy M.; Johnson, Craig R.

2016-12-21

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating differentmore » magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm → dhcp → fcc/dist.fcc → hP3 structure sequence at high-pressures and low-temperatures.« less

Magnetic transition temperatures follow crystallographic symmetry in Samarium under high-pressures and low-temperatures

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

Vohra, Yogesh K.; Tsoi, Georgiy M.; Johnson, Craig R.

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating differentmore » magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm → dhcp → fcc/dist.fcc → hP3 structure sequence at high-pressures and low-temperatures.« less

Pathways through equilibrated states with coexisting phases for gas hydrate formation

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

Malolepsza, Edyta; Keyes, Tom

Under ambient conditions, water freezes to either hexagonal ice or a hexagonal/cubic composite ice. The presence of hydrophobic guest molecules introduces a competing pathway: gas hydrate formation, with the guests in clathrate cages. Here, the pathways of the phase transitions are sought as sequences of states with coexisting phases, using a generalized replica exchange algorithm designed to sample them in equilibrium, avoiding nonequilibrium processes. For a dilute solution of methane in water under 200 atm, initializing the simulation with the full set of replicas leads to methane trapped in hexagonal/cubic ice, while gradually adding replicas with decreasing enthalpy produces themore » initial steps of hydrate growth. Once a small amount of hydrate is formed, water rearranges to form empty cages, eventually transforming the remainder of the system to metastable β ice, a scaffolding for hydrates. It is suggested that configurations with empty cages are reaction intermediates in hydrate formation when more guest molecules are available. Furthermore, free energy profiles show that methane acts as a catalyst reducing the barrier for β ice versus hexagonal/cubic ice formation.« less

Pathways through equilibrated states with coexisting phases for gas hydrate formation

DOE PAGES

Malolepsza, Edyta; Keyes, Tom

2015-12-01

Under ambient conditions, water freezes to either hexagonal ice or a hexagonal/cubic composite ice. The presence of hydrophobic guest molecules introduces a competing pathway: gas hydrate formation, with the guests in clathrate cages. Here, the pathways of the phase transitions are sought as sequences of states with coexisting phases, using a generalized replica exchange algorithm designed to sample them in equilibrium, avoiding nonequilibrium processes. For a dilute solution of methane in water under 200 atm, initializing the simulation with the full set of replicas leads to methane trapped in hexagonal/cubic ice, while gradually adding replicas with decreasing enthalpy produces themore » initial steps of hydrate growth. Once a small amount of hydrate is formed, water rearranges to form empty cages, eventually transforming the remainder of the system to metastable β ice, a scaffolding for hydrates. It is suggested that configurations with empty cages are reaction intermediates in hydrate formation when more guest molecules are available. Furthermore, free energy profiles show that methane acts as a catalyst reducing the barrier for β ice versus hexagonal/cubic ice formation.« less

Magnetic transition temperatures follow crystallographic symmetry in samarium under high-pressures and low-temperatures

NASA Astrophysics Data System (ADS)

Johnson, Craig R.; Tsoi, Georgiy M.; Vohra, Yogesh K.

2017-02-01

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating different magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm  →  dhcp  →  fcc/dist.fcc  →  hP3 structure sequence at high-pressures and low-temperatures.

Magnetic transition temperatures follow crystallographic symmetry in samarium under high-pressures and low-temperatures.

PubMed

Johnson, Craig R; Tsoi, Georgiy M; Vohra, Yogesh K

2017-02-15

Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating different magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm  →  dhcp  →  fcc/dist.fcc  →  hP3 structure sequence at high-pressures and low-temperatures.

Defect chaos of oscillating hexagons in rotating convection

PubMed

Echebarria; Riecke

2000-05-22

Using coupled Ginzburg-Landau equations, the dynamics of hexagonal patterns with broken chiral symmetry are investigated, as they appear in rotating non-Boussinesq or surface-tension-driven convection. We find that close to the secondary Hopf bifurcation to oscillating hexagons the dynamics are well described by a single complex Ginzburg-Landau equation (CGLE) coupled to the phases of the hexagonal pattern. At the band center these equations reduce to the usual CGLE and the system exhibits defect chaos. Away from the band center a transition to a frozen vortex state is found.

Investigation of electronic and magnetic properties of FeS: First principle and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Bouachraoui, Rachid; El Hachimi, Abdel Ghafour; Ziat, Younes; Bahmad, Lahoucine; Tahiri, Najim

2018-06-01

Electronic and magnetic properties of hexagonal Iron (II) Sulfide (hexagonal FeS) have been investigated by combining the Density functional theory (DFT) and Monte Carlo simulations (MCS). This compound is constituted by magnetic hexagonal lattice occupied by Fe2+ with spin state (S = 2). Based on ab initio method, we calculated the exchange coupling JFe-Fe between two magnetic atoms Fe-Fe in different directions. Also phase transitions, magnetic stability and magnetizations have been investigated in the framework of Monte Carlo simulations. Within this method, a second phase transition is observed at the Néel temperature TN = 450 K. This finding in good agreement with the reported data in the literature. The effect of the applied different parameters showed how can these parameters affect the critical temperature of this system. Moreover, we studied the density of states and found that the hexagonal FeS will be a promoting material for spintronic applications.

First-principles study of the structural properties of Ge

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

Chang, K.J.; Cohen, M.L.

1986-12-15

With the use of an ab initio pseudopotential method, the structural properties of Ge are investigated at normal and high pressures. The pressure-induced structural phase transitions from cubic diamond to ..beta..-Sn, to simple hexagonal (sh), and to double hexagonal close packed (dhcp) are examined. With the possible exception of the dhcp structure, the calculated transition pressures, transition volumes, and axial ratios are in good agreement with experimental results. We find that sh Ge has characteristics similar to those of sh Si; the bonds between hexagonal layers are stronger than intralayer bonds and the transverse phonon modes become soft near themore » transitions from the sh to ..beta..-Sn and the sh to hcp structures. At normal pressures, we compare the crystal energies for the cubic diamond, hexagonal 2H, and hexagonal 4H structures. Because of the similar sp/sup 3/ bonds in these structures, the structural energy differences are less than about 14 meV, and the 2H and 4H phases are metastable with respect to the cubic diamond structure. The equation of state is also presented and compared with experiment.« less

Effects of thermal treatment on the Mg{sub x}Zn{sub 1−x}O films and fabrication of visible-blind and solar-blind ultraviolet photodetectors

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

Tian, Chunguang; Jiang, Dayong, E-mail: dayongjiangcust@126.com; Tan, Zhendong

Highlights: • Single-phase wurtzite/cubic Mg{sub x}Zn{sub 1−x}O films were grown by RF magnetron sputtering technique. • We focus on the red-shift caused by annealing the Mg{sub x}Zn{sub 1−x}O films. • MSM-structured visible-blind and solar-blind UV photodetectors were fabricated. - Abstract: A series of single-phase Mg{sub x}Zn{sub 1−x}O films with different Mg contents were prepared on quartz substrates by RF magnetron sputtering technique using different MgZnO targets, and annealed under the atmospheric environment. The absorption edges of Mg{sub x}Zn{sub 1−x}O films can cover the whole near ultraviolet and even the whole solar-blind spectra range, and the solar-blind wurtzite/cubic Mg{sub x}Zn{sub 1−x}Omore » films have been realized successfully by the same method. In addition, the absorption edges of annealed films shift to a long wavelength, which is caused by the diffusion of Zn atoms gathering at the surface during the thermal treatment process. Finally, the truly solar-blind metal-semiconductor-metal structured photodetectors based on wurtzite Mg{sub 0.445}Zn{sub 0.555}O and cubic Mg{sub 0.728}Zn{sub 0.272}O films were fabricated. The corresponding peak responsivities are 17 mA/W at 275 nm and 0.53 mA/W at 250 nm under a 120 V bias, respectively.« less

Liquid phase deposition synthesis of hexagonal molybdenum trioxide thin films

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

Deki, Shigehito; Beleke, Alexis Bienvenu; Kotani, Yuki

2009-09-15

Hexagonal molybdenum trioxide thin films with good crystallinity and high purity have been fabricated by the liquid phase deposition (LPD) technique using molybdic acid (H{sub 2}MoO{sub 4}) dissolved in 2.82% hydrofluoric acid (HF) and H{sub 3}BO{sub 3} as precursors. The crystal was found to belong to a hexagonal hydrate system MoO{sub 3}.nH{sub 2}O (napprox0.56). The unit cell lattice parameters are a=10.651 A, c=3.725 A and V=365.997 A{sup 3}. Scanning electron microscope (SEM) images of the as-deposited samples showed well-shaped hexagonal rods nuclei that grew and where the amount increased with increase in reaction time. X-ray photon electron spectroscopy (XPS) spectramore » showed a Gaussian shape of the doublet of Mo 3d core level, indicating the presence of Mo{sup 6+} oxidation state in the deposited films. The deposited films exhibited an electrochromic behavior by lithium intercalation and deintercalation, which resulted in coloration and bleaching of the film. Upon dehydration at about 450 deg. C, the hexagonal MoO{sub 3}.nH{sub 2}O was transformed into the thermodynamically stable orthorhombic phase. - Abstract: SEM photograph of typical h-MoO{sub 3}.nH{sub 2}O thin film nuclei obtained after 36 h at 40 deg. C by the LPD method. Display Omitted« less

Impact of structural symmetry on magnetization properties in SrCo0.95Mn0.05O3 prepared by sol-gel method

NASA Astrophysics Data System (ADS)

Kumar, Amit; Meenakshi, Mahto, Rabindra Nath

2018-04-01

We have investigated magnetization properties of the sol-gel prepared SrCo0.95Mn0.05O3 (SCMO) sample with respect to change in structural symmetry. The X-ray diffraction patterns show the crystal structure changes from nH-hexagonal, showing trigonal symmetry (SCMO1), to 2H-hexagonal phase (SCMO2). The trigonal crystal symmetry was obtained at lower annealing temperature (less than 1100 °C), however, the 2H-hexagonal symmetry was obtained at higher annealing temperature. The crystallite size calculated using Debye Scherer formula is found to be ˜ 46 nm and ˜ 33 nm for SCMO1 and SCMO2 samples respectively. The temperature dependence zero field cooled (MZFC) and field cooled (MFC) magnetization curves measured under the applied magnetic field of 500 Oe show magnetic reversibility for the SCMO1 sample. However, MZFC and MFC curves in hexagonal phase show magnetic irreversibility with onset temperature, Tirr ˜ 150 K, exhibits weak ferromagnetic ordering. The temperature variation of magnetization in paramagnetic region was analyzed by following Curie-Weiss law fitting. The χ-1(T) curve shows complete linear behavior with single slope for SCMO1 sample, whereas, the SCMO2 curve exhibit the linear behavior with two distinct slopes. Interestingly the sample in hexagonal phase shows small hysteresis loop at 2 K and 100 K respectively.

Facile green fabrication of nanostructure ZnO plates, bullets, flower, prismatic tip, closed pine cone: Their antibacterial, antioxidant, photoluminescent and photocatalytic properties.

PubMed

Madan, H R; Sharma, S C; Udayabhanu; Suresh, D; Vidya, Y S; Nagabhushana, H; Rajanaik, H; Anantharaju, K S; Prashantha, S C; Sadananda Maiya, P

2016-01-05

Green synthesis of multifunctional Zinc oxide nanoparticles (NPs) with a variety of morphologies were achieved by low temperature solution combustion route employing neem (Azadirachta indica) extract as fuel. The nanoparticles were characterized by PXRD, FTIR, XPS, Raman and UV-Visible spectroscopic studies. The Morphologies were studied by SEM and TEM analysis. The NPs were subjected for photoluminescence, photocatalytic, antibacterial and antioxidant activity studies. PXRD pattern confirmed the hexagonal wurtzite structure of the product. SEM images indicated the transformation of mushroom like hexagonal disks to bullets, buds, cones, bundles and closed pine cone structured NPs with increase in the concentration of neem extract in reaction mixture. The NPs exhibited prominent green emission due to the presence of intrinsic defect centers. The as-formed bullet shaped ZnO with 4ml of neem extract was found to decolorize Methylene blue (MB) under Sunlight and UV light irradiation. The antibacterial studies indicated that ZnO NPs of concentration 500, 750 and 1000μg resulted in significant antibacterial activity on Klebsiella aerogenes and Staphylococcus aureus but not against Escherichia coli and Pseudomonas aeruginosa in agar well diffusion method. Further, ZnO NPs exhibited significant antioxidant activity against scavenging DPPH free radicals. The current investigation demonstrated green engineering method for the synthesis of multifunctional ZnO NPs with interesting morphologies using neem extract. Copyright © 2015 Elsevier B.V. All rights reserved.

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.

Formation of Indium-Doped Zinc Oxide Thin Films Using Ultrasonic Spray Pyrolysis: The Importance of the Water Content in the Aerosol Solution and the Substrate Temperature for Enhancing Electrical Transport

PubMed Central

Biswal, Rajesh; Castañeda, Luis; Moctezuma, Rosario; Vega-Pérez, Jaime; De La Luz Olvera, María; Maldonado, Arturo

2012-01-01

Indium doped zinc oxide [ZnO:In] thin films have been deposited at 430°C on soda-lime glass substrates by the chemical spray technique, starting from zinc acetate and indium acetate. Pulverization of the solution was done by ultrasonic excitation. The variations in the electrical, structural, optical, and morphological characteristics of ZnO:In thin films, as a function of both the water content in the starting solution and the substrate temperature, were studied. The electrical resistivity of ZnO:In thin films is not significantly affected with the increase in the water content, up to 200 mL/L; further increase in water content causes an increase in the resistivity of the films. All films show a polycrystalline character, fitting well with the hexagonal ZnO wurtzite-type structure. No preferential growth in samples deposited with the lowest water content was observed, whereas an increase in water content gave rise to a (002) growth. The surface morphology of the films shows a consistency with structure results, as non-geometrical shaped round grains were observed in the case of films deposited with the lowest water content, whereas hexagonal slices, with a wide size distribution were observed in the other cases. In addition, films deposited with the highest water content show a narrow size distribution. PMID:28817056

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.

New Findings on the Phase Transitions in Li(sub 1-x)CoO(sub 2) and Li(sub 1-x)NiO(sub 2) Cathode Materials During Cycling: In Situ Synchrotron X-Ray Diffraction Studies

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

Yang, X. Q.; Sun, X.; McBreen, J.

The authors have utilized synchrotron x-ray radiation to perform ''in situ'' x-ray diffraction studies on Li{sub 1-x}CoO{sub 2} and Li{sub 1-x}NiO{sub 2} cathodes. A C/10 charging rate was used for a Li/Li{sub 1-x}CoO{sub 2} cell. For the Li/Li{sub 1-x}NiO{sub 2} cells, C/13 and C/84 rates were applied. The in situ XRD data were collected during the first charge from 3.5 to 5.2 V. For the Li{sub 1-x}CoO{sub 2} cathode, in the composition range of x = 0 to x = 0.5, a new intermediate phase H2a was observed in addition to the two expected hexagonal phases H1 and H2. Inmore » the region very close to x = 0.5, some spectral signatures for the formation of a monoclinic phase M1 were also observed. Further, in the x = 0.8 to x = 1 region, the formation of a CdI{sub 2} type hexagonal phase has been confirmed. However, this new phase is transformed from a CdCl{sub 2} type hexagonal phase, rather than from a monoclinic phase M2 as previously reported in the literature. For the Li{sub 1-x}NiO{sub 2} system, by taking the advantage of the high resolution in 2{theta} angles through the synchrotron based XRD technique, they were able to identify a two-phase coexistence region of hexagonal phase H1 and H2, which has been mistakenly indexed as a single phase region for monoclinic phase M1. Interesting similarities and differences between these two systems are also discussed.« less

Different Effects of Long- and Short-Chain Ceramides on the Gel-Fluid and Lamellar-Hexagonal Transitions of Phospholipids: A Calorimetric, NMR, and X-Ray Diffraction Study

PubMed Central

Sot, Jesús; Aranda, Francisco J.; Collado, M.-Isabel; Goñi, Félix M.; Alonso, Alicia

2005-01-01

The effects on dielaidoylphosphatidylethanolamine (DEPE) bilayers of ceramides containing different N-acyl chains have been studied by differential scanning calorimetry small angle x-ray diffraction and 31P-NMR spectroscopy. N-palmitoyl (Cer16), N-hexanoyl (Cer6), and N-acetyl (Cer2) sphingosines have been used. Both the gel-fluid and the lamellar-inverted hexagonal transitions of DEPE have been examined in the presence of the various ceramides in the 0-25 mol % concentration range. Pure hydrated ceramides exhibit cooperative endothermic order-disorder transitions at 93°C (Cer16), 60°C (Cer6), and 54°C (Cer2). In DEPE bilayers, Cer16 does not mix with the phospholipid in the gel phase, giving rise to high-melting ceramide-rich domains. Cer16 favors the lamellar-hexagonal transition of DEPE, decreasing the transition temperature. Cer2, on the other hand, is soluble in the gel phase of DEPE, decreasing the gel-fluid and increasing the lamellar-hexagonal transition temperatures, thus effectively stabilizing the lamellar fluid phase. In addition, Cer2 was peculiar in that no equilibrium could be reached for the Cer2-DEPE mixture above 60°C, the lamellar-hexagonal transition shifting with time to temperatures beyond the instrumental range. The properties of Cer6 are intermediate between those of the other two, this ceramide decreasing both the gel-fluid and lamellar-hexagonal transition temperatures. Temperature-composition diagrams have been constructed for the mixtures of DEPE with each of the three ceramides. The different behavior of the long- and short-chain ceramides can be rationalized in terms of their different molecular geometries, Cer16 favoring negative curvature in the monolayers, thus inverted phases, and the opposite being true of the micelle-forming Cer2. These differences may be at the origin of the different physiological effects that are sometimes observed for the long- and short-chain ceramides. PMID:15695626

Young's Modulus of Wurtzite and Zinc Blende InP Nanowires.

PubMed

Dunaevskiy, Mikhail; Geydt, Pavel; Lähderanta, Erkki; Alekseev, Prokhor; Haggrén, Tuomas; Kakko, Joona-Pekko; Jiang, Hua; Lipsanen, Harri

2017-06-14

The Young's modulus of thin conical InP nanowires with either wurtzite or mixed "zinc blende/wurtzite" structures was measured. It has been shown that the value of Young's modulus obtained for wurtzite InP nanowires (E [0001] = 130 ± 30 GPa) was similar to the theoretically predicted value for the wurtzite InP material (E [0001] = 120 ± 10 GPa). The Young's modulus of mixed "zinc blende/wurtzite" InP nanowires (E [111] = 65 ± 10 GPa) appeared to be 40% less than the theoretically predicted value for the zinc blende InP material (E [111] = 110 GPa). An advanced method for measuring the Young's modulus of thin and flexible nanostructures is proposed. It consists of measuring the flexibility (the inverse of stiffness) profiles 1/k(x) by the scanning probe microscopy with precise control of loading force in nanonewton range followed by simulations.

Exploration of the Structure of the High Temperature Phase of the Hexagonal RMnO3 System

NASA Astrophysics Data System (ADS)

Wu, T.; Tyson, T. A.; Zhang, H.; Yu, T.; Page, K.; Ghose, S.

Temperature dependent structural studies of the high temperature phase of hexagonal RMnO3 systems have been conducted. Both long range and local structural probes have been utilized. Discussions of the appropriate space groups and local distortions relevant to length scale will be given. Ab initio MD simulations are used to interpret the observations. This work is supported by DOE Grant DE-FG02-07ER46402.

[Study of the interaction of alpha-tocopherol with phospholipids, fatty acids, and their oxygenated derivatives by (31)P-NMR spectroscopy].

PubMed

Chudinova, V V; Zakharova, E I; Alekseev, S M; Chupin, V V; Evstigneeva, R P

1993-02-01

Interaction of alpha-tocopherol with phospholipids, oleic, ricinoleic acids and linoleic acid hydroperoxides was investigated by means of 31P NMR spectroscopy on a model artificial membranes containing egg phosphatidylcholine and lysophosphatidylcholine. alpha-Tocopherol was shown to support the bilayer organization of lysophospholipids, whereas its introduction into the lecithin-water system stimulated the hexagonal phase formation. Free fatty acids exhibited a synergism to alpha-tocopherol, the effect of the hexagonal phase formation being at most increased by oxygenated acids--ricinoleic acid and linoleic acid hydroperoxides. In accordance with the experimental data, a conclusion about modifying and structuring action of alpha-tocopherol was made. Origin of the alpha-tocopherol's modulating effect on the membrane structure and a possible role of hexagonal phase forming upon its action in the course of peroxidation of lipids was discussed.

ZnO nanomaterials based surface acoustic wave ethanol gas sensor.

PubMed

Wu, Y; Li, X; Liu, J H; He, Y N; Yu, L M; Liu, W H

2012-08-01

ZnO nanomaterials based surface acoustic wave (SAW) gas sensor has been investigated in ethanol environment at room temperature. The ZnO nanomaterials have been prepared through thermal evaporation of high-purity zinc powder. The as-prepared ZnO nanomaterials have been characterized with scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray Diffraction (XRD) techniques. The results indicate that the obtained ZnO nanomaterials, including many types of nanostructures such as nanobelts, nanorods, nanowires as well as nanosheets, are wurtzite with hexagonal structure and well-crystallized. The SAW sensor coated with the nanostructured ZnO materials has been tested in ethanol gas of various concentrations at room temperature. A network analyzer is used to monitor the change of the insertion loss of the SAW sensor when exposed to ethanol gas. The insertion loss of the SAW sensor varies significantly with the change of ethanol concentration. The experimental results manifest that the ZnO nanomaterials based SAW ethanol gas sensor exhibits excellent sensitivity and good short-term reproducibility at room temperature.

Functional electrospun membranes

NASA Astrophysics Data System (ADS)

Ognibene, G.; Fragalà, M. E.; Cristaldi, D. A.; Blanco, I.; Cicala, G.

2016-05-01

In this study we combined electrospun PES nanofibers with ZnO nanostructures in order to obtain a hierarchical nanostructured hybrid material to be use for active water filtration membranes. It benefits of flexibility and high surface area of the polymeric nanofibers as well as of additional functionalities of ZnOnanostructures. First, randomly oriented nanofibers with diameters of 716nm ±365 nm were electrospun on a glass fibers substrate from a solution of PES and DMF-TOL(1:1). ZnO nanorods were grown onto the surface of electrospun PES fibers by a Chemical Bath Deposition (CBD) process. It was preceed by a seeding process necessary to form nucleation sites for the subsequent radially aligned growth of ZnO nanowires. The morfology of the fibers and the effect of the seeding time have been analysed by SEM. The amount of ZnO nanowires grown over electrospun nanofibers was determined as 45% by weight. The high purity and crystallinity of the asobtained products are confirmed by XRD since all reflection peaks can be indexed to hexagonal wurtzite ZnO.

Hole polarons and p -type doping in boron nitride polymorphs

NASA Astrophysics Data System (ADS)

Weston, L.; Wickramaratne, D.; Van de Walle, C. G.

2017-09-01

Boron nitride polymorphs hold great promise for integration into electronic and optoelectronic devices requiring ultrawide band gaps. We use first-principles calculations to examine the prospects for p -type doping of hexagonal (h -BN ), wurtzite (w z -BN ), and cubic (c -BN ) boron nitride. Group-IV elements (C, Si) substituting on the N site result in a deep acceptor, as the atomic levels of the impurity species lie above the BN valence-band maximum. On the other hand, group-II elements (Be, Mg) substituting on the B site do not give impurity states in the band gap; however, these dopants lead to the formation of small hole polarons. The tendency for polaron formation is far more pronounced in h -BN compared to w z -BN or c -BN . Despite forming small hole polarons, Be acceptors enable p -type doping, with ionization energies of 0.31 eV for w z -BN and 0.24 eV for c -BN ; these values are comparable to the Mg ionization energy in GaN.

Structural and electrical properties of ZnO/Zn0.85Mg0.15O thin film prepared by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Yang, Jing-Jing; Wang, Gang; Du, Wen-Han; Xiong, Chao

2017-07-01

The electrical transport properties are the key factors to determine the performance of ZnO-based quantum effect device. ZnMgO is a typical material to regulate the band of ZnO. In order to investigate the electrical properties of the interface of ZnO/Zn0.85Mg0.15O films, three kinds of ZnO/Zn0.85Mg0.15O films have been fabricated with different thickness. After comparing the structural and electrical properties of the samples, we found that the independent Zn0.85Mg0.15O hexagonal wurtzite structure (002) peak can be detected in XRD spectra. Hall-effect test data confirmed that the two-dimensional electron gas (2DEG) became lower because of the decrease of thickness of Zn0.85Mg0.15O films, increase of impurity scattering and lattice structure distortion caused by the increase of Mg content.

Structural and plasmonic properties of noble metal doped ZnO nanomaterials

NASA Astrophysics Data System (ADS)

Pathak, Trilok K.; Swart, H. C.; Kroon, R. E.

2018-04-01

Noble metal doped ZnO has been synthesized by the combustion method and the effect of different metals (Ag, Au, Pd) on the structural, morphological, optical, photoluminescence and localized surface plasmon resonance (LSPR) properties has been investigated. X-ray diffraction analysis revealed that the ZnO had a hexagonal wurtzite structure and the crystallite sizes were affected by the doping. The formation of noble metal nanoparticles (NPs) was investigated using transmission electron microscopy and diffuse reflectance spectra. The LSPR of the metallic NPs was predicted using Mie theory calculations. The absorption spectra were calculated using the Kubelka-Munk function and the optical bandgap varied from 3.06 to 3.18 eV for the different doping materials. The experimental results suggest that the origin of enhanced emission was due to direct interaction between the laser photons and the noble material NPs which in turn leads to photoemission transfer of electrons from the noble metals NPs to the conduction band of ZnO.

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.

Tuning effect of polysaccharide Chitosan on structural, morphological, optical and photoluminescence properties of ZnO nanoparticles

NASA Astrophysics Data System (ADS)

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

2018-05-01

Chitosan/ZnO nanocomposites was synthesized by in-situ chemical precipitation method. The effect of polysaccharide Chitosan concentration (0.1 g, 0.5 g, 1 g and 3 g) was investigated by X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) with Energy dispersive spectroscopy (EDX), High Resolution Transmission Electron Microscopy (HRTEM), UV-visible (UV), Fourier Transform Infrared (FTIR) and Photoluminescence Spectroscopy (PL). XRD pattern confirms the hexagonal wurtzite structure of the Chitosan/ZnO nanocomposites. The structural morphology and the elemental composition of the samples were analysed by FESEM and EDX respectively. From TEM analysis, it is observed that the particles in spindle shape morphology with average particle size ranges 10-20 nm. UV-Vis analysis reveals that the Chitosan concentration affect the absorption band edge and shift towards lower wavelength. The oxygen vacancy induced photoluminescence of ZnO nanoparticles was observed and its intensity decreases by tuning the Chitosan concentration.

Fluorescent lighting with aluminum nitride phosphors

DOEpatents

Cherepy, Nerine J.; Payne, Stephen A.; Seeley, Zachary M.; Srivastava, Alok M.

2016-05-10

A fluorescent lamp includes a glass envelope; at least two electrodes connected to the glass envelope; mercury vapor and an inert gas within the glass envelope; and a phosphor within the glass envelope, wherein the phosphor blend includes aluminum nitride. The phosphor may be a wurtzite (hexagonal) crystalline structure Al.sub.(1-x)M.sub.xN phosphor, where M may be drawn from beryllium, magnesium, calcium, strontium, barium, zinc, scandium, yttrium, lanthanum, cerium, praseodymium, europium, gadolinium, terbium, ytterbium, bismuth, manganese, silicon, germanium, tin, boron, or gallium is synthesized to include dopants to control its luminescence under ultraviolet excitation. The disclosed Al.sub.(1-x)M.sub.xN:Mn phosphor provides bright orange-red emission, comparable in efficiency and spectrum to that of the standard orange-red phosphor used in fluorescent lighting, Y.sub.2O.sub.3:Eu. Furthermore, it offers excellent lumen maintenance in a fluorescent lamp, and does not utilize "critical rare earths," minimizing sensitivity to fluctuating market prices for the rare earth elements.

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.

Structural, morphological and optical studies of ripple-structured ZnO thin films

NASA Astrophysics Data System (ADS)

Navin, Kumar; Kurchania, Rajnish

2015-11-01

Ripple-structured ZnO thin films were prepared on Si (100) substrate by sol-gel spin-coating method with different heating rates during preheating process and finally sintered at 500 °C for 2 h in ambient condition. The structural, morphological and photoluminescence (PL) properties of the nanostructured films were analyzed by X-ray diffraction (XRD), atomic force microscopy (AFM), scanning electron microscopy (SEM) and PL spectroscopy. XRD analysis revealed that films have hexagonal wurtzite structure and texture coefficient increases along (002) plane with preheating rate. The faster heating rate produced higher crystallization and larger average crystallite size. The AFM and SEM images indicate that all the films have uniformly distributed ripple structure with skeletal branches. The number of ripples increases, while the rms roughness, amplitude and correlation length of the ripple structure decrease with preheating rates. The PL spectra show the presence of different defects in the structure. The ultraviolet emission improved with the heating rate which indicates its better crystallinity.

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

The Calculation Study of Electronic Properties of Doped RE (Eu, Er and Tm)-GaN using Density Functional Theory

NASA Astrophysics Data System (ADS)

Zaharo, Aflah; Purqon, Acep

2017-07-01

The calculation of the structure and electronic properties of Rare Earth (RE) at the wurtzite Gallium Nitride (GaN) based on DFT has completed. GGA approximation used for exchange correlation and Ultra soft pseudo potential too. The stability structure of GaN is seen that difference lattice parameter 11% lower than another calculation and experiment result. It is shown the stability structure GaN have direct band gap energy on Gamma point hexagonal lattice Brillouin zone. The width Eg is 2.6 eV. When one atom Ga is substituted with one atom RE, the bond length is change 12 % longest. An in good agreement with theoretical doping RE concentration increases, the edge of energy level shifted towards to make the band gap narrow which is allow the optical transitions and help to improve the optical performance of GaN. The RE doped GaN is potentially applicable for various color of LED with lower energy consumption and potentially energy saving application

Structural and photoluminescence properties of Ce, Dy, Er-doped ZnO nanoparticles

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

Jayachandraiah, C.; Kumar, K. Siva; Krishnaiah, G., E-mail: ginnerik@gmail.com

2015-06-24

Undoped ZnO and rare earth elements (Ce, Dy and Er with 2 at. %) doped nanoparticles were synthesized by wet chemical co-precipitation method at 90°C with Polyvinylpyrrolidone (PVP) as capping agent. The structural, morphological, compositional and photoluminescence studies were performed with X-ray diffraction (XRD), Transmission electron microscopy (TEM), Energy dispersive spectroscopy (EDS), FTIR spectroscopy and Photoluminescence (PL) respectively. XRD results revealed hexagonal wurtzite structure with average particle size around 18 nm - 14 nm and are compatible with TEM results. EDS confirm the incorporation of Ce, Dy and Er elements into the host ZnO matrix and is validated by FTIR analysis. PLmore » studies showed a broad intensive emission peak at 558 nm in all the samples. The intensity for Er- doped ZnO found maximum with additional Er shoulder peaks at 516nm and 538 nm. No Ce, Dy emission centers were found in spectra.« less

Growth and properties of electrodeposited transparent Al-doped ZnO nanostructures

NASA Astrophysics Data System (ADS)

Baka, O.; Mentar, L.; Khelladi, M. R.; Azizi, A.

2015-12-01

Al-doped zinc oxide (AZO) nanostructures were fabricated on fluorine-doped tin-oxide (FTO)- coated glass substrates by using electrodeposition. The effects of the doping concentration of Al on the morphological, microstructural, electrical and optical properties of the nanostructures were investigated. From the field emission scanning electron microscopy (FE-SEM) observation, when the amount of Al was increased in the solution, the grains size was observed to decreases. The observed changes in the morphology indicate that Al acts as nucleation centers in the vacancy sites of ZnO and destroys the crystalline structure at high doping level. Effectively, the X-ray diffraction (XRD) analysis indicated that the undoped and the doped ZnO nanostructures has a polycrystalline nature and a hexagonal wurtzite structure with a (002) preferential orientation. The photoluminescence (PL) room-temperature measurements showed that the incorporation of Al in the Zn lattice can improve the intensity of ultraviolet (UV) emission, thus suggesting its greater prospects for use in UV optoelectronic devices.

Enhanced photo response of mesoporous nanostructured CdS thin film via electrospray aerosol deposition technique

NASA Astrophysics Data System (ADS)

Logu, T.; Soundarrajan, P.; Sankarasubramanian, K.; Sethuraman, K.

2018-04-01

In this work, a high crystalline and mesoporous nanostructured cadmium sulfide (CdS) thin film was successfully grown on the FTO substrates using facile Electrospray Aerosol Deposition (ESAD) technique. The structural, optical, morphological and electrical properties of CdS thin film have been systematically examined. CdS thin film exhibits the hexagonal wurtzite crystal structure with polycrystalline nature. The optical band gap energy of the prepared film was estimated from the Tauc plot and is 2.43 eV. The SEM and AFM images show that the well-interconnected CdS nanoparticles gives mesoporous like morphology. The fine aerosol generated from the ESAD process induces the alteration in the surface morphological structure of deposited CdS film that consequences in enhanced electrical and photo-physical properties. The photoconductivity of the sample has been studied which demonstrates significant photo current. The present study predicts that mesoporous nanostructured CdS thin film would be given a special interest for optoelectronic applications.

CO2 sensing properties of electro-spun Ca-doped ZnO fibres.

PubMed

Pantò, Fabiola; Leonardi, Salvatore Gianluca; Fazio, Enza; Frontera, Patrizia; Bonavita, Anna; Neri, Giovanni; Antonucci, Pierluigi; Neri, Fortunato; Santangelo, Saveria

2018-07-27

The availability of low-cost, high-performing sensors for carbon dioxide detection in the environment may play a crucial role for reducing CO 2 emissions and limiting global warming. In this study, calcium-doped zinc oxide nanofibres with different Ca to Zn loading ratios (1:40 or 1:20) are synthesised via electro-spinning, thoroughly characterised and, for the first time, tested as an active material for the detection of carbon dioxide. The results of their characterisation show that the highly porous fibres consist of interconnected grains of oxide with the hexagonal wurtzite structure of zincite. Depending on the Ca:Zn loading ratio, calcium fully or partly segregates to form calcite on the fibre surface. The high response of the sensor based on the fibres with the highest Ca-doping level can be attributed to the synergy between the fibre morphology and the basicity of Ca-ion sites, which favour the diffusion of the gas molecules within the sensing layer and the CO 2 adsorption, respectively.

Influence of Different Aluminum Sources on the NH3 Gas-Sensing Properties of ZnO Thin Films

NASA Astrophysics Data System (ADS)

Ozutok, Fatma; Karaduman, Irmak; Demiri, Sani; Acar, Selim

2018-02-01

Herein we report Al-doped ZnO films (AZO) deposited on the ZnO seed layer by chemical bath deposition method. Al powder, Al oxide and Al chloride were used as sources for the deposition process and investigated for their different effects on the NH3 gas-sensing performance. The morphological and microstructural properties were investigated by employing x-ray powder diffraction, scanning electron microscopy analysis and energy-dispersive x-ray spectroscopy. The characterization studies showed that the AZO thin films are crystalline and exhibit a hexagonal wurtzite structure. Ammonia (NH3) gas-sensing measurements of AZO films were performed at different concentration levels and different operation temperatures from 50°C to 210°C. The sample based on powder-Al source showed a higher response, selectivity and short response/recovery time than the remaining samples. The powder Al sample exhibited 33% response to 10-ppm ammonia gas at 190°C, confirming a strong dependence on the dopant source type.

Seed mediated synthesis of nanosized zinc oxide and its electron transporting activity in dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Rajkumar, C.; Arulraj, Arunachalam

2018-01-01

A zinc oxide (ZnO) nanoparticle has been synthesized using seed mediated method at a low temperature of 90 °C. To understand its optical, structural and morphological properties of as-synthesized ZnO, it was characterized using various analytical techniques. The obtained result reveals that ZnO nanoparticles possess hexagonal wurtzite crystal structure with an average crystallite size of ˜40 nm. The presence of hydroxyl, amine and alkyl groups was confirmed from Fourier transform infrared analysis. Furthermore, the synthesized ZnO powder has employed as photoanode for the fabrication of dye-sensitized solar cells using Doctor-blade technique. To evaluate its photo-conversion efficiency, the device has been assembled into a cell module and illuminated with the light intensity of 100 mW cm-2. The device exhibits the photo-conversion efficiency of 1.85% with the current density of 4.532 mA cm-2 and voltage of 0.61 V.

Al xGa 1-xN (0⩽ x⩽1) nanocrystalline powder by pyrolysis route

NASA Astrophysics Data System (ADS)

Garcia, R.; Srinivasan, S.; Contreras, O. E.; Thomas, A. C.; Ponce, F. A.

2007-10-01

A novel method to synthesize nanocrystalline Al xGa 1-xN (0⩽ x⩽1) powders is presented in this work. AlGaN nanocrystallites with the wurtzite structure were produced by thermal decomposition of a gallium-aluminum complex compound at 1000 °C in a three-zone horizontal quartz tube reactor under high-purity ammonia atmosphere. The crystallites showed a hexagonal structure, high homogeneity, and a narrow particle-size distribution at around 50 nm. A continuous composition range from 0 to 1 mol fraction can be reached by this method, allowing high control on the gallium and aluminum composition by monitoring the stoichiometry of the reaction between the metal nitrates and carbohydrazide. Low-temperature photoluminescence and cathodoluminescence studies showed that some impurities, such as carbon and oxygen, are unintentionally present in the final product and affect the optical properties. Subsequent thermal treatments between 900 and 1100 °C under an ammonia atmosphere significantly improved the quality of these materials.

SiO2/ZnO Composite Hollow Sub-Micron Fibers: Fabrication from Facile Single Capillary Electrospinning and Their Photoluminescence Properties.

PubMed

Song, Guanying; Li, Zhenjiang; Li, Kaihua; Zhang, Lina; Meng, Alan

2017-02-24

In this work, SiO2/ZnO composite hollow sub-micron fibers were fabricated by a facile single capillary electrospinning technique followed by calcination, using tetraethyl orthosilicate (TEOS), polyvinylpyrrolidone (PVP) and ZnO nanoparticles as raw materials. The characterization results of the scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR) spectra indicated that the asprepared composite hollow fibers consisted of amorphous SiO2 and hexagonal wurtzite ZnO. The products revealed uniform tubular structure with outer diameters of 400-500 nm and wall thickness of 50-60 nm. The gases generated and the directional escaped mechanism was proposed to illustrate the formation of SiO2/ZnO composite hollow sub-micron fibers. Furthermore, a broad blue emission band was observed in the photoluminescence (PL) of SiO2/ZnO composite hollow sub-micron fibers, exhibiting great potential applications as blue light-emitting candidate materials.

Effect of cobalt doping on structural and optical properties of ZnO nanoparticles

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

Singh, J.; Chanda, A., E-mail: anupamamatsc@gmail.com; Gupta, S.

Cobalt doped ZnO nanoparticles of uniform sizes were prepared by a chemical method using ZnCl{sub 2} and NaOH as the source materials. The formation of Co-doped ZnO nanoparticles was confirmed by transmission electron microscopy (TEM), high resolution TEM (HR-TEM) and selected area electron diffraction (SAED) studies. The optical properties of obtained products were examined using room temperature UV-visible and FTIR spectroscopy. SAED of cobalt doped ZnO nanoparticles shows homogeneous distribution of nanoparticles with hexagonal structure. The HRTEM image of the Co-doped ZnO nanoparticles reveals a clear lattice spacing of 0.52 nm corresponding to the interplanar spacing of wurtzite ZnO (002) plane.more » The absorption band at 857 cm{sup −1} in FTIR spectra confirmed the tetrahedral coordination of Zn and a shift of absorption peak to shorter wavelength region and decrease in absorbance with Co doping.is observed in UV-Visible spectra.« less

Fabrication of n-ZnO:Al/p-Si(100) heterojunction diode and its characterization

NASA Astrophysics Data System (ADS)

Parvathy Venu, M.; Dharmaprakash, S. M.; Byrappa, K.

2018-04-01

Aluminum doped ZnO (n-ZnO:Al) nanostructured thin films were grown on ZnO seed layer coated p-Si(100) substrate employing hydrothermal technique. X-ray diffraction pattern revealed that the ZnO:Al film possess hexagonal wurtzite structure with preferential orientation along (002) direction. Photoluminescence of the sample displayed near band edge emission peak in the ultra-violet region and defect level emission peak in the visible region. The as grown thin film was used in the fabrication of n-ZnO:Al/p-Si heterojunction diode and the room temperature current-voltage (I-V) and capacitance-voltage (C-V) characteristics were studied. The heterojunction exhibited fairly good rectification with an ideality of 2.49 and reverse saturation current of 2 nA. The barrier height was found to be 0.668 eV from the I-V measurements. The C-V measurements showed a decrease in the capacitance of the heterojunction with an increase in the reverse bias voltage.

Blueish green photoluminescence from nitrided GaAs(100) surfaces

NASA Astrophysics Data System (ADS)

Shimaoka, Goro; Udagawa, Takashi

1999-04-01

Optical and structural studies were made on the Si-doped (100)GaAs surfaces nitrided at a temperature between 650° and 750°C for 15 min in the flowing NH 3 gas. The wavelength of photoluminescence (PL) spectra were observed to be shortened from 820 nm of the GaAs nitrided at 650°C with increasing nitridation temperature. Blueish green PL with wavelengths of approx. 490 nm and 470 nm were emitted from the nitrided surfaces at 700° and 750°C, respectively. Results of AES and SIMS indicated that the surfaces are nitrided as GaAs 1- xN x, (0< x≤1) alloy layer, and the nitrided region also tended to increase as the temperature raised. High-resolution transmission electron microscopic (HRTEM), transmission electron diffraction (TED) and energy dispersive X-ray (EDX) results showed that films peeled off from the nitrided surfaces consisted mainly of hexagonal, wurtzite-type gallium nitride (GaN) with stacking faults and microtwins.

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.

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.

Effect of Precursors on Key Opto-electrical Properties of Successive Ion Layer Adsorption and Reaction-Prepared Al:ZnO Thin Films

NASA Astrophysics Data System (ADS)

Kumar, K. Deva Arun; Valanarasu, S.; Ganesh, V.; Shkir, Mohd.; Kathalingam, A.; AlFaify, S.

2018-02-01

Aluminum-doped zinc oxide (Al:ZnO) thin films were deposited on glass substrates by successive ion layer adsorption and reaction (SILAR) method using different precursors. This inexpensive SILAR method involves dipping of substrate sequentially in zinc solution, de-ionized water and ethylene glycol in multiple cycles. Prepared films were investigated by x-ray diffraction (XRD), scanning electron microscope (SEM), atomic force microscope (AFM), optical absorption, photoluminescence (PL), Raman spectroscopy and electrical studies. XRD study confirmed incorporation of aluminum in ZnO lattice with a polycrystalline hexagonal wurtzite structure of the films. The crystallite size determined by the Scherrer equation showed an increase from 28 nm to 35 nm for samples S1 to S4, respectively. SEM study showed smooth morphology with homogeneous distribution of particles. From the AFM images, the surface roughness was found to change according to precursors. For the optical analysis, the zinc chloride precursor showed high optical transmittance of about 90% in the visible range with a band gap value 3.15 eV. The room-temperature PL spectra exhibited a stronger violet emission peak at 420 nm for all the prepared samples. The Raman spectra showed a peak around 435 cm-1 which could be assigned to non-polar optical phonons (E2-high) mode AZO films of a ZnO wurtzite structure. Hall effect measurements showed n-type conductivity with low resistivity ( ρ) and high carrier concentrations ( n) of 2.39 × 10-3 Ω-cm and 8.96 × 1020 cm-3, respectively, for the film deposited using zinc chloride as precursor. The above properties make the prepared AZO film to be regarded as a very promising electrode material for fabrication of optoelectronic devices.

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.

Mechanical, Thermodynamic and Electronic Properties of Wurtzite and Zinc-Blende GaN Crystals.

PubMed

Qin, Hongbo; Luan, Xinghe; Feng, Chuang; Yang, Daoguo; Zhang, Guoqi

2017-12-12

For the limitation of experimental methods in crystal characterization, in this study, the mechanical, thermodynamic and electronic properties of wurtzite and zinc-blende GaN crystals were investigated by first-principles calculations based on density functional theory. Firstly, bulk moduli, shear moduli, elastic moduli and Poisson's ratios of the two GaN polycrystals were calculated using Voigt and Hill approximations, and the results show wurtzite GaN has larger shear and elastic moduli and exhibits more obvious brittleness. Moreover, both wurtzite and zinc-blende GaN monocrystals present obvious mechanical anisotropic behavior. For wurtzite GaN monocrystal, the maximum and minimum elastic moduli are located at orientations [001] and <111>, respectively, while they are in the orientations <111> and <100> for zinc-blende GaN monocrystal, respectively. Compared to the elastic modulus, the shear moduli of the two GaN monocrystals have completely opposite direction dependences. However, different from elastic and shear moduli, the bulk moduli of the two monocrystals are nearly isotropic, especially for the zinc-blende GaN. Besides, in the wurtzite GaN, Poisson's ratios at the planes containing [001] axis are anisotropic, and the maximum value is 0.31 which is located at the directions vertical to [001] axis. For zinc-blende GaN, Poisson's ratios at planes (100) and (111) are isotropic, while the Poisson's ratio at plane (110) exhibits dramatically anisotropic phenomenon. Additionally, the calculated Debye temperatures of wurtzite and zinc-blende GaN are 641.8 and 620.2 K, respectively. At 300 K, the calculated heat capacities of wurtzite and zinc-blende are 33.6 and 33.5 J mol -1 K -1 , respectively. Finally, the band gap is located at the G point for the two crystals, and the band gaps of wurtzite and zinc-blende GaN are 3.62 eV and 3.06 eV, respectively. At the G point, the lowest energy of conduction band in the wurtzite GaN is larger, resulting in a wider band gap. Densities of states in the orbital hybridization between Ga and N atoms of wurtzite GaN are much higher, indicating more electrons participate in forming Ga-N ionic bonds in the wurtzite GaN.

Mechanical, Thermodynamic and Electronic Properties of Wurtzite and Zinc-Blende GaN Crystals

PubMed Central

Luan, Xinghe; Feng, Chuang; Yang, Daoguo; Zhang, Guoqi

2017-01-01

For the limitation of experimental methods in crystal characterization, in this study, the mechanical, thermodynamic and electronic properties of wurtzite and zinc-blende GaN crystals were investigated by first-principles calculations based on density functional theory. Firstly, bulk moduli, shear moduli, elastic moduli and Poisson’s ratios of the two GaN polycrystals were calculated using Voigt and Hill approximations, and the results show wurtzite GaN has larger shear and elastic moduli and exhibits more obvious brittleness. Moreover, both wurtzite and zinc-blende GaN monocrystals present obvious mechanical anisotropic behavior. For wurtzite GaN monocrystal, the maximum and minimum elastic moduli are located at orientations [001] and <111>, respectively, while they are in the orientations <111> and <100> for zinc-blende GaN monocrystal, respectively. Compared to the elastic modulus, the shear moduli of the two GaN monocrystals have completely opposite direction dependences. However, different from elastic and shear moduli, the bulk moduli of the two monocrystals are nearly isotropic, especially for the zinc-blende GaN. Besides, in the wurtzite GaN, Poisson’s ratios at the planes containing [001] axis are anisotropic, and the maximum value is 0.31 which is located at the directions vertical to [001] axis. For zinc-blende GaN, Poisson’s ratios at planes (100) and (111) are isotropic, while the Poisson’s ratio at plane (110) exhibits dramatically anisotropic phenomenon. Additionally, the calculated Debye temperatures of wurtzite and zinc-blende GaN are 641.8 and 620.2 K, respectively. At 300 K, the calculated heat capacities of wurtzite and zinc-blende are 33.6 and 33.5 J mol−1 K−1, respectively. Finally, the band gap is located at the G point for the two crystals, and the band gaps of wurtzite and zinc-blende GaN are 3.62 eV and 3.06 eV, respectively. At the G point, the lowest energy of conduction band in the wurtzite GaN is larger, resulting in a wider band gap. Densities of states in the orbital hybridization between Ga and N atoms of wurtzite GaN are much higher, indicating more electrons participate in forming Ga-N ionic bonds in the wurtzite GaN. PMID:29231902

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi

DOE PAGES

Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.; ...

2017-05-25

High pressure x-ray diffraction measurements reveal that the face-centered cubic (fcc) high-entropy alloy CrMnFeCoNi transforms martensitically to a hexagonal close-packed (hcp) phase at ~14 GPa. We attribute this to suppression of the local magnetic moments, destabilizing the fcc phase. Similar to fcc-to-hcp transformations in Al and the noble gases, this transformation is sluggish, occurring over a range of >40 GPa. But, the behavior of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures.

Orthorhombic Zr2Co11 phase revisited

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

Li, X. -Z.; Zhang, W. Y.; Sellmyer, D. J.

2014-10-01

The structure of the orthorhombic Zr2Co11 phase was revisited in the present work. Selected-area electron diffraction (SAED) and high-resolution electron microscopy (HREM) techniques were used to investigate the structure. They show the orthorhombic Zr2Co11 phase has a 1-D incommensurate modulated structure. The structure can be approximately described as a B-centered orthorhombic lattice. The lattice parameters of the orthorhombic Zr2Co11 phase have been determined by a tilt series of SAED patterns. A hexagonal network with a modulation wave has been observed in the HREM image and the hexagonal motif is considered as the basic structural unit.

Electron band bending of polar, semipolar and non-polar GaN surfaces

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

Bartoš, I.; Romanyuk, O., E-mail: romanyuk@fzu.cz; Houdkova, J.

2016-03-14

The magnitudes of the surface band bending have been determined by X-ray photoelectron spectroscopy for polar, semipolar, and non-polar surfaces of wurtzite GaN crystals. All surfaces have been prepared from crystalline GaN samples grown by the hydride-vapour phase epitaxy and separated from sapphire substrates. The Ga 3d core level peak shifts have been used for band bending determination. Small band bending magnitudes and also relatively small difference between the band bendings of the surfaces with opposite polarity have been found. These results point to the presence of electron surface states of different amounts and types on surfaces of different polaritymore » and confirm the important role of the electron surface states in compensation of the bound surface polarity charges in wurtzite GaN crystals.« less

Phase transformation of molecular beam epitaxy-grown nanometer-thick Gd₂O₃ and Y₂O₃ on GaN.

PubMed

Chang, Wen-Hsin; Wu, Shao-Yun; Lee, Chih-Hsun; Lai, Te-Yang; Lee, Yi-Jun; Chang, Pen; Hsu, Chia-Hung; Huang, Tsung-Shiew; Kwo, J Raynien; Hong, Minghwei

2013-02-01

High quality nanometer-thick Gd₂O₃ and Y₂O₃ (rare-earth oxide, R₂O₃) films have been epitaxially grown on GaN (0001) substrate by molecular beam epitaxy (MBE). The R₂O₃ epi-layers exhibit remarkable thermal stability at 1100 °C, uniformity, and highly structural perfection. Structural investigation was carried out by in situ reflection high energy electron diffraction (RHEED) and ex-situ X-ray diffraction (XRD) with synchrotron radiation. In the initial stage of epitaxial growth, the R₂O₃ layers have a hexagonal phase with the epitaxial relationship of R₂O₃ (0001)(H)<1120>(H)//GaN(0001)(H)<1120>(H). With the increase in R₂O₃ film thickness, the structure of the R₂O₃ films changes from single domain hexagonal phase to monoclinic phase with six different rotational domains, following the R₂O₃ (201)(M)[020](M)//GaN(0001)(H)<1120>(H) orientational relationship. The structural details and fingerprints of hexagonal and monoclinic phase Gd₂O₃ films have also been examined by using electron energy loss spectroscopy (EELS). Approximate 3-4 nm is the critical thickness for the structural phase transition depending on the composing rare earth element.

Phase behavior and transitions of self-assembling nano-structured materials

NASA Astrophysics Data System (ADS)

Duan, Hu

Homologous series of supramolecular nanostructures have been investigated by a combination of transmission electron microscopy (TEM), electron diffraction (ED), thermal polarized optical microscopy and X-ray diffraction (XRD). Materials include amphiphilic oligomers and polymer such as charged complexes, dipeptide dendrons semi-fluorinated dendron and polyethyleneimines. Upon microphase separation, they self-assemble into either cylindrical or spherical shapes, which co-organize into a 2D P6mm hexagonal columnar phase or 3D Pm 3¯ n and Im 3¯ m cubic phases. Correlation between the phase selection and molecular architecture is established accordingly. The order-disorder transition (ODT) is explored by rheometry and rheo-optical microscopy in a model polymeric compound poly(N-[3,4-bis(n-dodecan-1-yloxy)benzoyl]ethyleneimine). Shear alignment of the hexagonal columnar liquid crystalline phase along the velocity direction at low temperature and shear disordering in the vicinity of the ODT were observed. After cessation of shear, transformation back to the stable columnar phase follows a row-nucleation mechanism. The order-order transition process is explored in a monodendron that exhibits a hexagonal columnar and a weakly birefringent mesophase. Polarized DIC microscopy strongly supports an epitaxial relationship between them.

Structure, rheology and shear alignment of Pluronic block copolymer mixtures.

PubMed

Newby, Gemma E; Hamley, Ian W; King, Stephen M; Martin, Christopher M; Terrill, Nicholas J

2009-01-01

The structure and flow behaviour of binary mixtures of Pluronic block copolymers P85 and P123 is investigated by small-angle scattering, rheometry and mobility tests. Micelle dimensions are probed by dynamic light scattering. The micelle hydrodynamic radius for the 50/50 mixture is larger than that for either P85 or P123 alone, due to the formation of mixed micelles with a higher association number. The phase diagram for 50/50 mixtures contains regions of cubic and hexagonal phases similar to those for the parent homopolymers, however the region of stability of the cubic phase is enhanced at low temperature and concentrations above 40 wt%. This is ascribed to favourable packing of the mixed micelles containing core blocks with two different chain lengths, but similar corona chain lengths. The shear flow alignment of face-centred cubic and hexagonal phases is probed by in situ small-angle X-ray or neutron scattering with simultaneous rheology. The hexagonal phase can be aligned using steady shear in a Couette geometry, however the high modulus cubic phase cannot be aligned well in this way. This requires the application of oscillatory shear or compression.

A facile arrested precipitation method for synthesis of pure wurtzite Cu{sub 2}ZnSnS{sub 4} nanocrystals using thiourea as a sulfur source

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

Li, Chunya; Key Laboratory of Analytical Chemistry of the State Ethnic Affairs Commission, College of Chemistry and Materials Science, South-Central University for Nationalities, Wuhan 430074; Ha, Enna

2012-11-15

Graphical abstract: High-resolution TEM image of wurtzite Cu{sub 2}ZnSnS{sub 4} nanocrystals. Highlights: ► Wurtzite Cu{sub 2}ZnSnS{sub 4} nanocrystals were synthesized by arrested precipitation method. ► XRD, EDX, TEM demonstrate that the CZTS nanocrystals are purely wurtzite structure. ► The average diameter of the bulk CZTS products is found to be 10 ± 1.1 nm. ► The estimated direct bandgap energy is 1.56 eV for wurtzite CZTS nanocrystals. ► The electrical resistivity of the wurtzite CZTS nanocrystals is low. -- Abstract: A facile route for the synthesis of wurtzite Cu{sub 2}ZnSnS{sub 4} (CZTS) nanocrystals was developed by an arrested precipitation methodmore » at 240 °C under simple reaction conditions with diethanolamine as the solvent and thiourea as sulfur source. The structure and morphology of the CZTS nanocrystals were characterized by X-ray diffraction and transmission electron microscopy. Control experiments demonstrated that CZTS nanocrystals which are purely wurtzite structure are readily obtained. The average diameter of the bulk CZTS products is found to be 10 ± 1.1 nm. The estimated direct bandgap energy is 1.56 eV, which indicates that the CZTS nanocrystals produced by this method possess promising applications in photovoltaic devices.« less

Evidence of an inverted hexagonal phase in self-assembled phospholipid-DNA-metal complexes

NASA Astrophysics Data System (ADS)

Francescangeli, O.; Pisani, M.; Stanic, V.; Bruni, P.; Weiss, T. M.

2004-08-01

We report the first observation of an inverted hexagonal phase of phospholipid-DNA-metal complexes. These ternary complexes are formed in a self-assembled manner when water solutions of neutral lipid dioleoylphosphatidylethanolamine (DOPE), DNA and divalent metal cations (Me2+; Me=Fe, Co, Mg, Mn) are mixed, which represents a striking example of supramolecular chemistry. The structure, derived from synchrotron X-ray diffraction, consists of cylindrical DNA strands coated by neutral lipid monolayers and arranged on a two-dimensional hexagonal lattice (HIIc). Besides the fundamental aspects, DOPE-DNA-Me2+ complexes may be of great interest as efficient nonviral delivery systems in gene therapy applications because of the low inherent cytotoxicity and the potential high transfection efficiency.

Investigation on structural, thermal, optical and sensing properties of meta-stable hexagonal MoO(3) nanocrystals of one dimensional structure.

PubMed

Chithambararaj, Angamuthuraj; Bose, Arumugam Chandra

2011-01-01

Hexagonal molybdenum oxide (h-MoO(3)) was synthesized by a solution based chemical precipitation technique. Analysis by X-ray diffraction (XRD) confirmed that the as-synthesized powder had a metastable hexagonal structure. The characteristic vibrational band of Mo-O was identified from Fourier transform infrared spectroscopy (FT-IR). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images clearly depicted the morphology and size of h-MoO(3.) The morphology study showed that the product comprises one-dimensional (1D) hexagonal rods. From the electron energy loss spectroscopy (EELS) measurement, the elemental composition was investigated and confirmed from the characteristic peaks of molybdenum and oxygen. Thermogravimetric (TG) analysis on metastable MoO(3) revealed that the hexagonal phase was stable up to 430 °C and above this temperature complete transformation into a highly stable orthorhombic phase was achieved. The optical band gap energy was estimated from the Kubelka-Munk (K-M) function and was found to be 2.99 eV. Finally, the ethanol vapor-sensing behavior was investigated and the sensing response was found to vary linearly as a function of ethanol concentration in the parts per million (ppm) range.

Synthesis of hexagonal ultrathin tungsten oxide nanowires with diameters below 5 nm for enhanced photocatalytic performance

NASA Astrophysics Data System (ADS)

Lu, Huidan; Zhu, Qin; Zhang, Mengying; Yan, Yi; Liu, Yongping; Li, Ming; Yang, Zhishu; Geng, Peng

2018-04-01

Semiconductor with one dimension (1D) ultrathin nanostructure has been proved to be a promising nanomaterial in photocatalytic field. Great efforts were made on preparation of monoclinic ultrathin tungsten oxide nanowires. However, non-monoclinic phase tungsten oxides with 1D ultrathin structure, especially less than 5 nm width, have not been reported. Herein, we report the synthesis of hexagonal ultrathin tungsten oxide nanowires (U-WOx NW) by modified hydrothermal method. Microstructure characterization showed that U-WOx NW have the diameters of 1-3 nm below 5 nm and are hexagonal phase sub-stoichiometric WOx. U-WOx NW show absorption tail in the visible and near infrared region due to oxygen vacancies. For improving further photocatalytic performance, Ag co-catalyst was grown directly onto U-WOx NW surface by in situ redox reaction. Photocatalytic measurements revealed hexagonal U-WOx NW have better photodegradation activity, compared with commercial WO3(C-WO3) and oxidized U-WOx NW, ascribe to larger surface area, short diffusion length of photo-generated charge carriers and visible absorption of oxygen-vacancy-rich hexagonal ultrathin nanostructures. Moreover, the photocatalytic activity and stability of U-WOx NW using Ag co-catalyst were further improved.

Phase diagram and polarization of stable phases of (Ga1- x In x )2O3

NASA Astrophysics Data System (ADS)

Maccioni, Maria Barbara; Fiorentini, Vincenzo

2016-04-01

The full phase diagram of (Ga1- x In x )2O3 is obtained theoretically. The phases competing for the ground state are monoclinic β (low x), hexagonal (x ˜ 0.5), and bixbyite (large x). Three disconnected mixing regions interlace with two distinct phase-separation regions, and at x ˜ 0.5, the coexistence of hexagonal and β alloys with phase-separated binary components is expected. We also explore the permanent polarization of the phases, but none of them are polar. On the other hand, we find that ɛ-Ga2O3, which was stabilized in recent experiments, is pyroelectric with a large polarization and piezoelectric coupling, and could be used to produce high-density electron gases at interfaces.

Quinary wurtzite Zn-Ga-Ge-N-O solid solutions and their photocatalytic properties under visible light irradiation

PubMed Central

Xie, Yinghao; Wu, Fangfang; Sun, Xiaoqin; Chen, Hongmei; Lv, Meilin; Ni, Shuang; Liu, Gang; Xu, Xiaoxiang

2016-01-01

Wurtzite solid solutions between GaN and ZnO highlight an intriguing paradigm for water splitting into hydrogen and oxygen using solar energy. However, large composition discrepancy often occurs inside the compound owing to the volatile nature of Zn, thereby prescribing rigorous terms on synthetic conditions. Here we demonstrate the merits of constituting quinary Zn-Ga-Ge-N-O solid solutions by introducing Ge into the wurtzite framework. The presence of Ge not only mitigates the vaporization of Zn but also strongly promotes particle crystallization. Synthetic details for these quinary compounds were systematically explored and their photocatalytic properties were thoroughly investigated. Proper starting molar ratios of Zn/Ga/Ge are of primary importance for single phase formation, high particle crystallinity and good photocatalytic performance. Efficient photocatalytic hydrogen and oxygen production from water were achieved for these quinary solid solutions which is strongly correlated with Ge content in the structure. Apparent quantum efficiency for optimized sample approaches 1.01% for hydrogen production and 1.14% for oxygen production. Theoretical calculation reveals the critical role of Zn for the band gap reduction in these solid solutions and their superior photocatalytic acitivity can be understood by the preservation of Zn in the structure as well as a good crystallinity after introducing Ge. PMID:26755070

Quinary wurtzite Zn-Ga-Ge-N-O solid solutions and their photocatalytic properties under visible light irradiation.

PubMed

Xie, Yinghao; Wu, Fangfang; Sun, Xiaoqin; Chen, Hongmei; Lv, Meilin; Ni, Shuang; Liu, Gang; Xu, Xiaoxiang

2016-01-12

Wurtzite solid solutions between GaN and ZnO highlight an intriguing paradigm for water splitting into hydrogen and oxygen using solar energy. However, large composition discrepancy often occurs inside the compound owing to the volatile nature of Zn, thereby prescribing rigorous terms on synthetic conditions. Here we demonstrate the merits of constituting quinary Zn-Ga-Ge-N-O solid solutions by introducing Ge into the wurtzite framework. The presence of Ge not only mitigates the vaporization of Zn but also strongly promotes particle crystallization. Synthetic details for these quinary compounds were systematically explored and their photocatalytic properties were thoroughly investigated. Proper starting molar ratios of Zn/Ga/Ge are of primary importance for single phase formation, high particle crystallinity and good photocatalytic performance. Efficient photocatalytic hydrogen and oxygen production from water were achieved for these quinary solid solutions which is strongly correlated with Ge content in the structure. Apparent quantum efficiency for optimized sample approaches 1.01% for hydrogen production and 1.14% for oxygen production. Theoretical calculation reveals the critical role of Zn for the band gap reduction in these solid solutions and their superior photocatalytic acitivity can be understood by the preservation of Zn in the structure as well as a good crystallinity after introducing Ge.

Quinary wurtzite Zn-Ga-Ge-N-O solid solutions and their photocatalytic properties under visible light irradiation

NASA Astrophysics Data System (ADS)

Xie, Yinghao; Wu, Fangfang; Sun, Xiaoqin; Chen, Hongmei; Lv, Meilin; Ni, Shuang; Liu, Gang; Xu, Xiaoxiang

2016-01-01

Wurtzite solid solutions between GaN and ZnO highlight an intriguing paradigm for water splitting into hydrogen and oxygen using solar energy. However, large composition discrepancy often occurs inside the compound owing to the volatile nature of Zn, thereby prescribing rigorous terms on synthetic conditions. Here we demonstrate the merits of constituting quinary Zn-Ga-Ge-N-O solid solutions by introducing Ge into the wurtzite framework. The presence of Ge not only mitigates the vaporization of Zn but also strongly promotes particle crystallization. Synthetic details for these quinary compounds were systematically explored and their photocatalytic properties were thoroughly investigated. Proper starting molar ratios of Zn/Ga/Ge are of primary importance for single phase formation, high particle crystallinity and good photocatalytic performance. Efficient photocatalytic hydrogen and oxygen production from water were achieved for these quinary solid solutions which is strongly correlated with Ge content in the structure. Apparent quantum efficiency for optimized sample approaches 1.01% for hydrogen production and 1.14% for oxygen production. Theoretical calculation reveals the critical role of Zn for the band gap reduction in these solid solutions and their superior photocatalytic acitivity can be understood by the preservation of Zn in the structure as well as a good crystallinity after introducing Ge.

Ab initio study of the structural, vibrational and thermal properties of Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Odhiambo, Henry; Othieno, Herick

2015-05-01

The structural, vibrational and thermal properties of hexagonal as well as cubic Ge2Sb2Te5 (GST) have been calculated from first principles. The relative stability of the possible stacking sequences of hexagonal GST has been confirmed to depend on the choice for the exchange-correlation (XC) energy functional. It is apparent that without the inclusion of the Te 4d orbitals in the valence states, the lattice parameters can be underestimated by as much as 3.9% compared to experiment and all-electron calculations. From phonon dispersion curves, it has been confirmed that the hexagonal phase is, indeed, stable whereas the cubic phase is metastable. In particular, calculations based on the quasi-harmonic approximation (QHA) reveal an extra heat capacity beyond the Dulong-Petit limit at high temperatures for both hexagonal and cubic GST. Moreover, cubic GST exhibits a residual entropy at 0 K, in agreement with experimental studies which attribute this phenomenon to substitutional disorder on the Sb/Ge/v sublattice.

A 2 TiO 5 (A = Dy, Gd, Er, Yb) at High Pressure

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

Park, Sulgiye; Rittman, Dylan R.; Tracy, Cameron L.

The structural evolution of lanthanide A2TiO5 (A = Dy, Gd, Yb, and Er) at high pressure is investigated using synchrotron X-ray diffraction. The effects of A-site cation size and of the initial structure are systematically examined by varying the composition of the isostructural lanthanide titanates, and the structure of dysprosium titanate polymorphs (orthorhombic, hexagonal and cubic), respectively. All samples undergo irreversible high pressure phase transformations, but with different onset pressures depending on the initial structure. While individual phase exhibits different phase transformation histories, all samples commonly experience a sluggish transformation to a defect cotunnite-like (Pnma) phase for a certain pressuremore » range. Orthorhombic Dy2TiO5 and Gd2TiO5 form P21am at pressures below 9 GPa and Pnma above 13 GPa. Pyrochlore-type Dy2TiO5 and Er2TiO5 as well as defect-fluorite-type Yb2TiO5 form Pnma at ~ 21 GPa, followed by Im-3m. Hexagonal Dy2TiO5 forms Pnma directly, although a small amount of remnants of hexagonal Dy2TiO5 is observed even at the highest pressure (~ 55 GPa) reached, indicating a kinetic limitations in the hexagonal Dy2TiO5 phase transformations at high pressure. Decompression of these materials leads to different metastable phases. Most interestingly, a high pressure cubic X-type phase (Im-3m) is confirmed using highresolution transmission electron microscopy on recovered pyrochlore-type Er2TiO5. The kinetic constraints on this metastable phase yield a mixture of both the X-type phase and amorphous domains upon pressure release. This is the first observation of an X-type phase for an A2BO5 composition at high pressure.« less

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

A quenchable superhard carbon phase synthesized by cold compression of carbon nanotubes.

PubMed

Wang, Zhongwu; Zhao, Yusheng; Tait, Kimberly; Liao, Xiaozhou; Schiferl, David; Zha, Changsheng; Downs, Robert T; Qian, Jiang; Zhu, Yuntian; Shen, Tongde

2004-09-21

A quenchable superhard high-pressure carbon phase was synthesized by cold compression of carbon nanotubes. Carbon nanotubes were placed in a diamond anvil cell, and x-ray diffraction measurements were conducted to pressures of approximately 100 GPa. A hexagonal carbon phase was formed at approximately 75 GPa and preserved at room conditions. X-ray and transmission electron microscopy electron diffraction, as well as Raman spectroscopy at ambient conditions, explicitly indicate that this phase is a sp(3)-rich hexagonal carbon polymorph, rather than hexagonal diamond. The cell parameters were refined to a(0) = 2.496(4) A, c(0) = 4.123(8) A, and V(0) = 22.24(7) A (3). There is a significant ratio of defects in this nonhomogeneous sample that contains regions with different stacking faults. In addition to the possibly existing amorphous carbon, an average density was estimated to be 3.6 +/- 0.2 g/cm(3), which is at least compatible to that of diamond (3.52 g/cm(3)). The bulk modulus was determined to be 447 GPa at fixed K' identical with 4, slightly greater than the reported value for diamond of approximately 440-442 GPa. An indented mark, along with radial cracks on the diamond anvils, demonstrates that this hexagonal carbon is a superhard material, at least comparable in hardness to cubic diamond.

A quenchable superhard carbon phase synthesized by cold compression of carbon nanotubes

PubMed Central

Wang, Zhongwu; Zhao, Yusheng; Tait, Kimberly; Liao, Xiaozhou; Schiferl, David; Zha, Changsheng; Downs, Robert T.; Qian, Jiang; Zhu, Yuntian; Shen, Tongde

2004-01-01

A quenchable superhard high-pressure carbon phase was synthesized by cold compression of carbon nanotubes. Carbon nanotubes were placed in a diamond anvil cell, and x-ray diffraction measurements were conducted to pressures of ≈100 GPa. A hexagonal carbon phase was formed at ≈75 GPa and preserved at room conditions. X-ray and transmission electron microscopy electron diffraction, as well as Raman spectroscopy at ambient conditions, explicitly indicate that this phase is a sp3-rich hexagonal carbon polymorph, rather than hexagonal diamond. The cell parameters were refined to a0 = 2.496(4) Å, c0 = 4.123(8) Å, and V0 = 22.24(7) Å 3. There is a significant ratio of defects in this nonhomogeneous sample that contains regions with different stacking faults. In addition to the possibly existing amorphous carbon, an average density was estimated to be 3.6 ± 0.2 g/cm3, which is at least compatible to that of diamond (3.52 g/cm3). The bulk modulus was determined to be 447 GPa at fixed K′≡4, slightly greater than the reported value for diamond of ≈440–442 GPa. An indented mark, along with radial cracks on the diamond anvils, demonstrates that this hexagonal carbon is a superhard material, at least comparable in hardness to cubic diamond. PMID:15361581

Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111)

NASA Astrophysics Data System (ADS)

Schroeder, T.; Lee, T.-L.; Libralesso, L.; Joumard, I.; Zegenhagen, J.; Zaumseil, P.; Wenger, C.; Lupina, G.; Lippert, G.; Dabrowski, J.; Müssig, H.-J.

2005-04-01

The structure of ultrathin epitaxial Pr2O3 films on Si(111) was studied by synchrotron radiation-grazing incidence x-ray diffraction. The oxide film grows as hexagonal Pr2O3 phase with its (0001) plane attached to the Si(111) substrate. The hexagonal (0001) Pr2O3 plane matches the in-plane symmetry of the hexagonal Si(111) surface unit cell by aligning the ⟨101¯0⟩Pr2O3 along the ⟨112¯⟩ Si directions. The small lattice mismatch of 0.5% results in the growth of pseudomorphic oxide films of high crystalline quality with an average domain size of about 50 nm. The critical thickness tc for pseudomorphic growth amounts to 3.0±0.5nm. The relaxation of the oxide film from pseudomorphism to bulk behavior beyond tc causes the introduction of misfit dislocations, the formation of an in-plane small angle mosaicity structure, and the occurence of a phase transition towards a (111) oriented cubic Pr2O3 film structure. The observed phase transition highlights the influence of the epitaxial interface energy on the stability of Pr2O3 phases on Si(111). A mechanism is proposed which transforms the hexagonal (0001) into the cubic (111) Pr2O3 epilayer structure by rearranging the oxygen network but leaving the Pr sublattice almost unmodified.

Structure, morphology and optical properties of undoped and MN-doped ZnO(1-x)Sx nano-powders prepared by precipitation method

NASA Astrophysics Data System (ADS)

Dejene, F. B.; Onani, M. O.; Koao, L. F.; Wako, A. H.; Motloung, S. V.; Yihunie, M. T.

2016-01-01

The undoped and Mn-doped ZnO(1-x)Sx nano-powders were successfully synthesized by precipitation method without using any capping agent. Its structure, morphology, elemental analysis, optical and luminescence properties were determined by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), UV-vis spectroscopy (UV) and photoluminescence spectroscopy (PL). A typical SEM image of the un-doped ZnO(1-x)Sx nanoparticles exhibit flake like structures that changes to nearly spherical particles with Mn-doping. The XRD of undoped and Mn doped ZnO(1-x)Sx pattern reveals the formation of a product indexed to the hexagonal wurtzite phase of ZnS. The nanopowders have crystallite sizes estimated from XRD measurements were in the range of 10-20 nm. All the samples showed absorption maximum of ZnO(1-x)Sx at 271 nm and high transmittance in UV and visible region, respectively. The undoped ZnO(1-x)Sx nanoparticles show strong room-temperature photoluminescence with four emission bands centering at 338 nm, 384 nm, 448 nm and 705 nm that may originate to the impurity of ZnO(1-x)Sx, existence of oxide related defects. The calculated bandgap of the nanocrystalline ZnO(1-x)Sx showed a blue-shift with respect to the Mn-doping. The PL spectra of the Mn-doped samples exhibit a strong orange emission at around 594 nm attributed to the 4T1-6A1 transition of the Mn2+ ions.

Synthesis and characterization of copper zinc oxide nanoparticles obtained via metathesis process

NASA Astrophysics Data System (ADS)

Phoohinkong, Weerachon; Foophow, Tita; Pecharapa, Wisanu

2017-09-01

Copper-doped zinc oxide nanoparticles were successfully synthesized by grinding copper acetate and zinc acetate powder with different starting molar ratios in combined with sodium hydroxide. The effect of initial copper and zinc molar ratios on the product samples was investigated and discussed. Relevant ligand coordination type of reactant acetate salt precursors and product samples were investigated by Fourier transform infrared spectroscopy (FTIR). The particle shapes and surface morphologies were characterized by field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). Phase structures of prepared samples were studied by x-ray powder diffraction (XRD) and x-ray absorption near-edge spectroscopy (XANES) was applied to investigate the local structure of Cu and Zn environment atoms. The results demonstrate that the, particle size of as-synthesized products affected by copper concentration in the precursor trend to gradually decreases from nanorod shape with diameter around 50-100 nm to irregular particle structure around 5 nm associated with an increase in the concentration of copper in precursor. Moreover, it is noticed that shape and morphology of the products are strongly dependent on Cu:Zn ratios during the synthesis. Nanocrystallines Cu-doped ZnO by the substitution in Zn site with a high crystallization degree of hexagonal wurtzite structure were obtained. This synthesis technique is suggested as a potential effective technique for preparing copper zinc oxide nanoparticles with various atomic ratio in wide range of applications. Contribution at the 4th Southeast Asia Conference on Thermoelectrics 2016 (SACT 2016), 15-18 December 2016, Da Nang City, Vietnam.

Fabrication of Heterojunction Diode Based on n-ZnO Nanowires/p-Si Substrate: Temperature Dependent Transport Characteristics.

PubMed

Badran, R I; Umar, Ahmad

2017-01-01

Herein, we report the growth and characterizations of well-crystalline n-ZnO nanowires assembled in micro flower-shaped morphologies. The nanowires are grown on p-Silicon substrate and characterized in terms of their structural, morphological and electrical properties. Temperature dependent transport characteristics of the fabricated n-ZnO/p-Si heterojunction diode were examined. The morphological studies revealed that the nanowires are grown in high-density and arrange in special micro flower shaped morphology. The structural characterizations confirmed that the nanowires are well-crystalline and possessing wurtzite hexagonal phase. The electrical properties were evaluated by examining the I–V characteristics of the fabricated n-ZnO/p-Si heterojunction diode. The I–V characteristics were studied at temperature <300 K and ≥300 K in the forward and reverse bias conditions. The detailed temperature dependent electrical properties revealed that the fabricated heterojunction assembly shows a diode-like behavior with a turn-on voltage of 5 V at almost all temperatures and the delivered current changes between ˜1 to ˜5 μA when temperature changes from 77 K to 425 K. The rectifying behavior of the fabricated heterojunction diode, at 5 V, was demonstrated by rectifying ratio of ˜4 at 77 K which decreases to ˜1.5 at 425 K. This analysis also showed that the mean potential barrier of the fabricated heterojunction (˜1.2 eV) is larger than the energy difference (0.72 eV) of the work functions between Si and ZnO.

Gallium hydride vapor phase epitaxy of GaN nanowires

PubMed Central

2011-01-01

Straight GaN nanowires (NWs) with diameters of 50 nm, lengths up to 10 μm and a hexagonal wurtzite crystal structure have been grown at 900°C on 0.5 nm Au/Si(001) via the reaction of Ga with NH3 and N2:H2, where the H2 content was varied between 10 and 100%. The growth of high-quality GaN NWs depends critically on the thickness of Au and Ga vapor pressure while no deposition occurs on plain Si(001). Increasing the H2 content leads to an increase in the growth rate, a reduction in the areal density of the GaN NWs and a suppression of the underlying amorphous (α)-like GaN layer which occurs without H2. The increase in growth rate with H2 content is a direct consequence of the reaction of Ga with H2 which leads to the formation of Ga hydride that reacts efficiently with NH3 at the top of the GaN NWs. Moreover, the reduction in the areal density of the GaN NWs and suppression of the α-like GaN layer is attributed to the reaction of H2 with Ga in the immediate vicinity of the Au NPs. Finally, the incorporation of H2 leads to a significant improvement in the near band edge photoluminescence through a suppression of the non-radiative recombination via surface states which become passivated not only via H2, but also via a reduction of O2-related defects. PMID:21711801

Gallium hydride vapor phase epitaxy of GaN nanowires.

PubMed

Zervos, Matthew; Othonos, Andreas

2011-03-28

Straight GaN nanowires (NWs) with diameters of 50 nm, lengths up to 10 μm and a hexagonal wurtzite crystal structure have been grown at 900°C on 0.5 nm Au/Si(001) via the reaction of Ga with NH3 and N2:H2, where the H2 content was varied between 10 and 100%. The growth of high-quality GaN NWs depends critically on the thickness of Au and Ga vapor pressure while no deposition occurs on plain Si(001). Increasing the H2 content leads to an increase in the growth rate, a reduction in the areal density of the GaN NWs and a suppression of the underlying amorphous (α)-like GaN layer which occurs without H2. The increase in growth rate with H2 content is a direct consequence of the reaction of Ga with H2 which leads to the formation of Ga hydride that reacts efficiently with NH3 at the top of the GaN NWs. Moreover, the reduction in the areal density of the GaN NWs and suppression of the α-like GaN layer is attributed to the reaction of H2 with Ga in the immediate vicinity of the Au NPs. Finally, the incorporation of H2 leads to a significant improvement in the near band edge photoluminescence through a suppression of the non-radiative recombination via surface states which become passivated not only via H2, but also via a reduction of O2-related defects.

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.

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.

Laurus nobilis leaf extract mediated green synthesis of ZnO nanoparticles: Characterization and biomedical applications.

PubMed

Vijayakumar, Sekar; Vaseeharan, Baskaralingam; Malaikozhundan, Balasubramanian; Shobiya, Malaikkarasu

2016-12-01

The present study reports the green synthesis of zinc oxide nanoparticles using the aqueous leaf extract of Laurus nobilis (Ln-ZnO NPs) by co-precipitation method. The synthesized Ln-ZnO NPs were characterized by UV-Vis spectroscopy, FTIR, XRD, TEM, SEM and EDX. Ln-ZnO NPs were crystalline in nature, flower like and have hexagonal wurtzite structure with a mean particle size of 47.27nm. The antibacterial activity of Ln-ZnO NPs was greater against Gram positive (Staphylococcus aureus) bacteria than Gram negative (Pseudomonas aeruginosa) bacteria. The zone of inhibition against S. aureus was 11.4, 12.6 and 14.2mm at 25, 50 and 75μgmL -1 . The zone of inhibition against P. aeruginosa was 9.8, 10.2 and 11.3mm at 25, 50 and 75μgmL -1 . The light and confocal laser scanning microscopic images evidenced that Ln-ZnO NPs effectively inhibited the biofilm growth of S. aureus and P. aeruginosa at 75μgmL -1 . The cytotoxicity studies revealed that Ln-ZnO NPs showed no effect on normal murine RAW264.7 macrophage cells. On the other hand, Ln-ZnO NPs were effective in inhibiting the viability of human A549 lung cancer cells at higher concentrations of 80μgmL -1 . The morphological changes in the Ln-ZnO NPs treated A549 lung cancer cells were observed under phase contrast microscope. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Hexagonally packed DNA within bacteriophage T7 stabilized by curvature stress.

PubMed Central

Odijk, T

1998-01-01

A continuum computation is proposed for the bending stress stabilizing DNA that is hexagonally packed within bacteriophage T7. Because the inner radius of the DNA spool is rather small, the stress of the curved DNA genome is strong enough to balance its electrostatic self-repulsion so as to form a stable hexagonal phase. The theory is in accord with the microscopically determined structure of bacteriophage T7 filled with DNA within the experimental margin of error. PMID:9726924

The barium iron ruthenium oxide system

NASA Technical Reports Server (NTRS)

Kemmler-Sack, S.; Ehmann, A.

1986-01-01

In the system BaFe(1-x)Ru(x)O(3-y), three phases, separated by immiscibility gaps, are present: an Fe-rich phase (x = 0 to 0.75) with hexagonal BaTiO3 structure (6H; sequence (hcc)2), a Ru-rich phase (x = 0.9) of hexagonal 4H-type (sequence (hc)2), and the pure Ru compounds BaRuO3 with rhombohedral 9R structure (sequence (hhc)3). By vibrational spectroscopic investigations in the 6H phase a transition from n-type semiconduction (Fe-rich compounds with complete O lattice) can be detected. The 4H and 9R stacking polytypes are good, metal-like conductors. The lattice parameters are given.

Synthesis and oxygen content dependent properties of hexagonal DyMnO[subscript 3+delta

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

Remsen, S.; Dabrowski, B.; Chmaissem, O.

2011-10-28

Oxygen deficient polycrystalline samples of hexagonal P6{sub 3}cm (space group No.185) DyMnO{sub 3+{delta}} ({delta} < 0) were synthesized in Ar by intentional decomposition of its perovskite phase obtained in air. The relative stability of these phases is in accord with our previous studies of the temperature and oxygen vacancy dependent tolerance factor. Thermogravimetric measurements have shown that hexagonal samples of DyMnO{sub 3+{delta}} (0 {le} {delta} {le} 0.4) exhibit unusually large excess oxygen content, which readily incorporates on heating near 300 C in various partial-pressures of oxygen atmospheres. Neutron and synchrotron diffraction data show the presence of two new structural phasesmore » at {delta} {approx} 0.25 (Hex{sub 2}) and {delta} {approx} 0.40 (Hex{sub 3}). Rietveld refinements of the Hex{sub 2} phase strongly suggest it is well modeled by the R3 space group (No.146). These phases were observed to transform back to P6{sub 3}cm above {approx} 350 C when material becomes stoichiometric in oxygen content ({delta} = 0). Chemical expansion of the crystal lattice corresponding to these large changes of oxygen was found to be 3.48 x 10{sup -2} mol{sup -1}. Thermal expansion of stoichiometric phases were determined to be 11.6 x 10{sup -6} and 2.1 x 10{sup -6} K{sup -1} for the P6{sub 3}cm and Hex{sub 2} phases, respectively. Our measurements also indicate that the oxygen non-stoichiometry of hexagonal RMnO{sub 3+{delta}} materials may have important influence on their multiferroic properties.« less

Mechanical and tribological properties of crystalline aluminum nitride coatings deposited on stainless steel by magnetron sputtering

NASA Astrophysics Data System (ADS)

Choudhary, R. K.; Mishra, S. C.; Mishra, P.; Limaye, P. K.; Singh, K.

2015-11-01

Aluminum nitride (AlN) coating is a potential candidate for addressing the problems of MHD pressure drop, tritium permeation and liquid metal corrosion of the test blanket module of fusion reactor. In this work, AlN coatings were grown on stainless steel by magnetron sputtering. Grazing incidence X-ray diffraction measurement revealed that formation of mixed phase (wurtzite and rock salt) AlN was favored at low discharge power and substrate negative biasing. However, at sufficiently high discharge power and substrate bias, (100) oriented wurtzite AlN was obtained. Secondary ion mass spectroscopy showed presence of oxygen in the coatings. The highest value of hardness and Young's modulus were 14.1 GPa and 215 GPa, respectively. Scratch test showed adhesive failure at a load of about 20 N. Wear test showed improved wear resistance of the coatings obtained at higher substrate bias.

Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

NASA Astrophysics Data System (ADS)

Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

2015-01-01

Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (>=250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 <= x <= 0.50) crystallize directly to the stable hexagonal structure for x >= 0.10, when annealed at temperatures >= 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x >= 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications.

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.

Interfaces between hexagonal and cubic oxides and their structure alternatives

DOE PAGES

Zhou, Hua; Wu, Lijun; Wang, Hui-Qiong; ...

2017-11-14

Multi-layer structure of functional materials often involves the integration of different crystalline phases. The film growth orientation thus frequently exhibits a transformation, owing to multiple possibilities caused by incompatible in-plane structural symmetry. Nevertheless, the detailed mechanism of the transformation has not yet been fully explored. Here we thoroughly probe the heteroepitaxially grown hexagonal zinc oxide (ZnO) films on cubic (001)-magnesium oxide (MgO) substrates using advanced scanning transition electron microscopy, X-ray diffraction and first principles calculations, revealing two distinct interface models of (001) ZnO/(001) MgO and (100) ZnO/(001) MgO. Here we have found that the structure alternatives are controlled thermodynamically bymore » the nucleation, while kinetically by the enhanced Zn adsorption and O diffusion upon the phase transformation. Finally, this work not only provides a guideline for the interface fabrication with distinct crystalline phases but also shows how polar and non-polar hexagonal ZnO films might be manipulated on the same cubic substrate.« less

Nondestructive Complete Mechanical Characterization of Zinc Blende and Wurtzite GaAs Nanowires Using Time-Resolved Pump-Probe Spectroscopy.

PubMed

Mante, Pierre-Adrien; Lehmann, Sebastian; Anttu, Nicklas; Dick, Kimberly A; Yartsev, Arkady

2016-08-10

We have developed and demonstrated an experimental method, based on the picosecond acoustics technique, to perform nondestructive complete mechanical characterization of nanowires, that is, the determination of the complete elasticity tensor. By means of femtosecond pump-probe spectroscopy, coherent acoustic phonons were generated in an ensemble of nanowires and their dynamics was resolved. Specific phonon modes were identified and the detection mechanism was addressed via wavelength dependent experiments. We calculated the exact phonon dispersion relation of the nanowires by fitting the experimentally observed frequencies, thus allowing the extraction of the complete elasticity tensor. The elasticity tensor and the nanowire diameter were determined for zinc blende GaAs nanowires and were found to be in a good agreement with literature data and independent measurements. Finally, we have applied this technique to characterize wurtzite GaAs nanowires, a metastable phase in bulk, for which no experimental values of elastic constants are currently available. Our results agree well with previous first principle calculations. The proposed approach to the complete and nondestructive mechanical characterization of nanowires will allow the efficient mechanical study of new crystal phases emerging in nanostructures, as well as size-dependent properties of nanostructured materials.

Single layers and multilayers of GaN and AlN in square-octagon structure: Stability, electronic properties, and functionalization

NASA Astrophysics Data System (ADS)

Gürbüz, E.; Cahangirov, S.; Durgun, E.; Ciraci, S.

2017-11-01

Further to planar single-layer hexagonal structures, GaN and AlN can also form free-standing, single-layer structures constructed from squares and octagons. We performed an extensive analysis of dynamical and thermal stability of these structures in terms of ab initio finite-temperature molecular dynamics and phonon calculations together with the analysis of Raman and infrared active modes. These single-layer square-octagon structures of GaN and AlN display directional mechanical properties and have wide, indirect fundamental band gaps, which are smaller than their hexagonal counterparts. These density functional theory band gaps, however, increase and become wider upon correction. Under uniaxial and biaxial tensile strain, the fundamental band gaps decrease and can be closed. The electronic and magnetic properties of these single-layer structures can be modified by adsorption of various adatoms, or by creating neutral cation-anion vacancies. The single-layer structures attain magnetic moment by selected adatoms and neutral vacancies. In particular, localized gap states are strongly dependent on the type of vacancy. The energetics, binding, and resulting electronic structure of bilayer, trilayer, and three-dimensional (3D) layered structures constructed by stacking the single layers are affected by vertical chemical bonds between adjacent layers. In addition to van der Waals interaction, these weak vertical bonds induce buckling in planar geometry and enhance their binding, leading to the formation of stable 3D layered structures. In this respect, these multilayers are intermediate between van der Waals solids and wurtzite crystals, offering a wide range of tunability.

Pressure Induced Phase Transition and Electronic Properties of 1d ZnO Nanocrystal: AN AB INITIO Study

NASA Astrophysics Data System (ADS)

Srivastava, Anurag; Tyagi, Neha

2012-10-01

We have analyzed the one-dimensional (1D) ZnO nanocrystals in its wurtzite (B4); zinc-blende (B3) and rocksalt (B1) type phases, by means of density functional theory (DFT) calculations. The energetic stability of nanocrystal has been analyzed using Revised Perdew-Burke-Ernzerhof (revPBE) type parameterized GGA potential. The B3 type phase is most stable amongst other phases of nanocrystals. The computation of ground state properties for all the phases of ZnO nanocrystals finds that the bulk modulus are smaller than their bulk counterpart, in turn softening the material at reduced dimensions. The electronic band structure analysis confirms the semiconducting nature of B4 type phase whereas other two are metallic.

Inverse hexagonal and cubic micellar lyotropic liquid crystalline phase behaviour of novel double chain sugar-based amphiphiles.

PubMed

Feast, George C; Lepitre, Thomas; Tran, Nhiem; Conn, Charlotte E; Hutt, Oliver E; Mulet, Xavier; Drummond, Calum J; Savage, G Paul

2017-03-01

The lyotropic phase behaviour of a library of sugar-based amphiphiles was investigated using high-throughput small-angle X-ray scattering (SAXS). Double unsaturated-chain monosaccharide amphiphiles formed inverse hexagonal and cubic micellar (Fd3m) lyotropic phases under excess water conditions. A galactose-oleyl amphiphile from the library was subsequently formulated into hexosome nanoparticles, which have potential uses as drug delivery vehicles. The nanoparticles were shown to be stable at elevated temperatures and non-cytotoxic up to at least 200μgmL -1 . Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.

Electronic properties of two-dimensional zinc oxide in hexagonal, (4,4)-tetragonal, and (4,8)-tetragonal structures by using Hybrid Functional calculation

NASA Astrophysics Data System (ADS)

Supatutkul, C.; Pramchu, S.; Jaroenjittichai, A. P.; Laosiritaworn, Y.

2017-09-01

This work reports the structures and electronic properties of two-dimensional (2D) ZnO in hexagonal, (4,8)-tetragonal, and (4,4)-tetragonal monolayer using GGA and HSE-hybrid functional. The calculated results show that the band gaps of 2D ZnO sheets are wider than those of the bulk ZnO. The hexagonal and (4,8)-tetragonal phases yield direct band gaps, which are 4.20 eV, and 4.59 eV respectively, while the (4,4)-tetragonal structure has an indirect band gap of 3.02 eV. The shrunken Zn-O bond lengths in the hexagonal and (4,8)-tetragonal indicate that they become more ionic in comparison with the bulk ZnO. In addition, the hexagonal ZnO sheet is the most energetically favourable. The total energy differences of (4,8)-tetragonal and (4,4)-tetragonal sheets from that of hexagonal monolayer (per formula unit) are 197 meV and 318 meV respectively.

Electronic structure and optical properties of Si, Ge and diamond in the lonsdaleite phase.

PubMed

De, Amrit; Pryor, Craig E

2014-01-29

Crystalline semiconductors may exist in different polytypic phases with significantly different electronic and optical properties. In this paper, we calculate the electronic structure and optical properties of diamond, Si and Ge in the lonsdaleite (hexagonal diamond) phase using a transferable model empirical pseudopotential method with spin–orbit interactions. We calculate their band structures and extract various relevant parameters. Differences between the cubic and hexagonal phases are highlighted by comparing their densities of states. While diamond and Si remain indirect gap semiconductors in the lonsdaleite phase, Ge transforms into a direct gap semiconductor with a much smaller bandgap. We also calculate complex dielectric functions for different optical polarizations and find strong optical anisotropy. We further provide expansion parameters for the dielectric functions in terms of Lorentz oscillators.

Pressure induced structural phase transition of OsB 2: First-principles calculations

NASA Astrophysics Data System (ADS)

Ren, Fengzhu; Wang, Yuanxu; Lo, V. C.

2010-04-01

Orthorhombic OsB 2 was synthesized at 1000 °C and its compressibility was measured by using the high-pressure X-ray diffraction in a Diacell diamond anvil cell from ambient pressure to 32 GPa [R.W. Cumberland, et al. (2005)]. First-principles calculations were performed to study the possibility of the phase transition of OsB 2. An analysis of the calculated enthalpy shows that orthorhombic OsB 2 can transfer to the hexagonal phase at 10.8 GPa. The calculated results with the quasi-harmonic approximation indicate that this phase transition pressure is little affected by the thermal effect. The calculated phonon band structure shows that the hexagonal P 6 3/ mmc structure (high-pressure phase) is stable for OsB 2. We expect the phase transition can be further confirmed by the experimental work.

Structural and spectral properties of undoped and tungsten doped Zn3(PO4)2ZnO nanopowders

NASA Astrophysics Data System (ADS)

Satyavathi, K.; Subba Rao, M.; Nagabhaskararao, Y.; Cole, Sandhya

2018-01-01

Pure and tungsten doped Zn3(PO4)2ZnO nanopowders (NPs) are prepared using sol-gel method. It has the longest track record of used in dentistry. It is used for cementation of inlays, crowns and orthodontic appliances. The systematic investigations like X-ray Diffraction (XRD), Scanning electron microscope (SEM) with energy dispersive X-ray (EDX) spectroscope, Transmission electron microscope (TEM), Fourier transform infrared (FT-IR) spectroscopy, Optical absorption, Photoluminescence (PL) and Electron Paramagnetic Resonance (EPR) spectroscopic techniques are carried out for the prepared NPs. XRD pattern reveals that the prepared samples are in crystalline nature in which Zn3(PO4)2 corresponding to monoclinic phase and ZnO corresponding to hexagonal wurtzite phase, the average crystallite size of prepared nanopowders is in the range of 20-30 nm. The lattice strain, lattice cell parameters, unit cell volume and dislocation density of the prepared NPs are also calculated. The morphology of the prepared NPs is analyzed with SEM and TEM images. The distribution of Zn, P, O and W species in the prepared samples are identified by the chemical composition mapping through EDX. IR spectra of prepared samples exhibit the characteristic sharp absorption band peaks. The sharp absorption bands observed in the region 1200-900 cm-1 are due to complex stretching of characteristic PO43- groups. The absorption spectra exhibit a broad band around 696 nm is recognized due to 2B2g → 2B1g (dxy → dx2- y2) transition of tungsten ions. The PL spectra exhibit four emission peaks in the visible region indicating the quantum-confinement-induced photoluminescence. The CIE chromaticity diagram suggests that the prepared NPs have good color purity. The EPR spectra indicate that the W5+ ions occupy octahedral site symmetry in the host lattice.

Wurtzite Spin-Lasers

NASA Astrophysics Data System (ADS)

Xu, Gaofeng; Faria Junior, Paulo E.; Sipahi, Guilherme M.; Zutic, Igor

Lasers in which spin-polarized carriers are injected provide paths to different practical room temperature spintronic devices, not limited to magnetoresistive effects. While theoretical studies of such spin-lasers have focused on zinc-blende semiconductors as their active regions, the first electrically injected carriers at room temperature were recently demonstrated in GaN-based wurtzite semiconductors, recognized also for the key role as highly-efficient light emitting diodes. By focusing on a wurtzite quantum well-based spin-laser, we use accurate electronic structure calculations to develop a microscopic description for its lasing properties. We discuss important differences between wurtzite and zinc-blende spin-lasers.

Hexaferrite multiferroics: from bulk to thick films

NASA Astrophysics Data System (ADS)

Koutzarova, T.; Ghelev, Ch; Peneva, P.; Georgieva, B.; Kolev, S.; Vertruyen, B.; Closset, R.

2018-03-01

We report studies of the structural and microstructural properties of Sr3Co2Fe24O41 in bulk form and as thick films. The precursor powders for the bulk form were prepared following the sol-gel auto-combustion method. The prepared pellets were synthesized at 1200 °C to produce Sr3Co2Fe24O41. The XRD spectra of the bulks showed the characteristic peaks corresponding to the Z-type hexaferrite structure as a main phase and second phases of CoFe2O4 and Sr3Fe2O7-x. The microstructure analysis of the cross-section of the bulk pellets revealed a hexagonal sheet structure. Large areas were observed of packages of hexagonal sheets where the separate hexagonal particles were ordered along the c axis. Sr3Co2Fe24O41 thick films were deposited from a suspension containing the Sr3Co2Fe24O41 powder. The microstructural analysis of the thick films showed that the particles had the perfect hexagonal shape typical for hexaferrites.

Phase transition studies of germanium to 1. 25 Mbar

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

Vohra, Y.K.; Brister, K.E.; Desgreniers, S.

1986-05-05

New phase transitions in Ge were observed by energy-dispersive x-ray diffraction techniques for pressures up to 125 GPa (1.25 Mbar) as follows: the ..beta..-Sn structure to the simple hexagonal (sh) phase at 75 +- 3 GPa and to the double hexagonal close-packed structure (dhcp) at 102 +- 5 GPa. These are the highest pressures for which a crystalline structure change has been directly observed in any material by x-ray diffraction. Total-energy pseudopotential calculations predict 84 +- 10 GPa for the ..beta..-Sn to sh phase transition and 105 +- 21 GPa for sh to hcp (not dhcp) transition. The role ofmore » 3d core electrons in increasing the transformation pressures in Ge, as compared to Si, is emphasized.« less

Epitaxial growth and photoluminescence of hexagonal CdS 1- xSe x alloy films

NASA Astrophysics Data System (ADS)

Grün, M.; Gerlach, H.; Breitkopf, Th.; Hetterich, M.; Reznitsky, A.; Kalt, H.; Klingshirn, C.

1995-01-01

CdSSe ternary alloy films were grown on GaAs(111) by hot-wall beam epitaxy. The hexagonal crystal phase is obtained. The composition varies from 0 to 40% selenium. Luminescence spectroscopy at low temperatures shows a dominant effect by alloy disorder. Localization of carriers, for example, is still observed at a pulsed optical excitation density of 6 mJ/cm 2. The overall quality of the CdSSe films is sufficient to use them as buffer layers for the growth of hexagonal superlattices.

Mechanosynthesis of Precursors for TiC-Cu Cermets

NASA Astrophysics Data System (ADS)

Eremina, M. A.; Lomaeva, S. F.; Burnyshev, I. N.; Kalyuzhnyi, D. G.

2018-04-01

The structural and phase state of the samples obtained by co-grinding of Ti and Cu powders under different conditions (with graphite, in petroleum ether, and in xylene) is investigated. It is demonstrated that after thermal treatment of powders obtained by milling of titanium, copper, and graphite in petroleum ether, both cubic titanium carbide and hexagonal titanium carbohydride are formed, whereas by milling without graphite, only hexagonal carbohydride possessing high thermal stability is formed. CuTi and CuTi2 intermetallic phases are formed under all examined conditions of mechanosynthesis.

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

Thakar, Nilesh A.; Bhatt, Apoorva D.; Pandya, Tushar C., E-mail: pandyatc@gmail.com

The thermodynamic properties with the wurtzite (B4) and rocksalt (B1) phases of ZnO under high pressures and high temperatures have been investigated using Tait's Equation of state (EOS). The effects of pressures and temperatures on thermodynamic properties such as bulk modulus, thermal expansivity and thermal pressure are explored for both two structures. It is found that ZnO material gradually softens with increase of temperature while it hardens with the increment of the pressure. Our predicted results of thermodynamics properties for both the phases of ZnO are in overall agreement with the available data in the literature.

Phase selective synthesis of quantum cutting nanophosphors and the observation of a spontaneous room temperature phase transition.

PubMed

Ghosh, Pushpal; Mudring, Anja-Verena

2016-04-21

Oxygen-free Eu(3+)-doped NaGdF4 nanocrystals with high quantum cutting efficiency are accessible at low temperatures (room temperature to 80 °C) using task-specific ionic liquids (ILs) as structure directing agents and only water as solvent. Selective tuning of the shape, morphology and, most importantly, the crystal phase of the host lattice is achieved by changing the alkyl side length, the H-bonding capabilities and the concentration of 1-alkyl-3-methylimidazolium bromide ILs, [C(n)mim]Br. When using [C2mim]Br, hexagonal NaGdF4 nanoparticles are obtained. In the case of methylimidazolium bromides with longer pendant alkyl chains such as butyl (C4), octyl (C8) or decyl (C10), extremely small nanoparticles of the cubic polymorph form, which then convert even at room temperature (RT) to the thermodynamically favored hexagonal modification. To the best of our knowledge, this kind of spontaneous phase transition is not yet reported. The hexagonal nanomaterial shows a substantial quantum cutting efficiency (154%) whilst in the cubic material, the effect is negligible (107%). The easy yet highly phase selective green synthesis of the materials promises large scale industrial application in environmentally benign energy efficient lighting.

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory

NASA Astrophysics Data System (ADS)

Nath Gupta, Satyendra; Singh, Anjali; Pal, Koushik; Muthu, D. V. S.; Shekhar, C.; Elghazali, Moaz A.; Naumov, Pavel G.; Medvedev, Sergey A.; Felser, C.; Waghmare, U. V.; Sood, A. K.

2018-05-01

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at GPa for NbAs and GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

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

Xu, Jing; Hu, Enyuan; Nordlund, Dennis

The phase transition, charge compensation, and local chemical environment of Ni in LiNiO 2 were investigated to understand the degradation mechanism. The electrode was subjected to a variety of bulk and surface-sensitive characterization techniques under different charge–discharge cycling conditions. We observed the phase transition from the original hexagonal H1 phase to another two hexagonal phases (H2 and H3) upon Li deintercalation. Moreover, the gradual loss of H3-phase features was revealed during the repeated charges. The reduction in Ni redox activity occurred at both the charge and the discharge states, and it appeared both in the bulk and at the surfacemore » over the extended cycles. In conclusion, the degradation of crystal structure significantly contributes to the reduction of Ni redox activity, which in turn causes the cycling performance decay of LiNiO 2.« less

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Polar Mixing Optical Phonon Spectra in Wurtzite GaN Cylindrical Quantum Dots: Quantum Size and Dielectric Effects

NASA Astrophysics Data System (ADS)

Zhang, Li; Liao, Jian-Shang

2010-05-01

The interface-optical-propagating (IO-PR) mixing phonon modes of a quasi-zero-dimensional (QoD) wurtzite cylindrical quantum dot (QD) structure are derived and studied by employing the macroscopic dielectric continuum model. The analytical phonon states of IO-PR mixing modes are given. It is found that there are two types of IO-PR mixing phonon modes, i.e. ρ-IO/z-PR mixing modes and the z-IO/ρ-PR mixing modes existing in QoD wurtzite QDs. And each IO-PR mixing modes also have symmetrical and antisymmetrical forms. Via a standard procedure of field quantization, the Fröhlich Hamiltonians of electron-(IO-PR) mixing phonons interaction are obtained. Numerical calculations on a wurtzite GaN cylindrical QD are performed. The results reveal that both the radial-direction size and the axial-direction size as well as the dielectric matrix have great influence on the dispersive frequencies of the IO-PR mixing phonon modes. The limiting features of dispersive curves of these phonon modes are discussed in depth. The phonon modes “reducing" behavior of wurtzite quantum confined systems has been observed obviously in the structures. Moreover, the degenerating behaviors of the IO-PR mixing phonon modes in wurtzite QoD QDs to the IO modes and PR modes in wurtzite Q2D QW and Q1D QWR systems are analyzed deeply from both of the viewpoints of physics and mathematics.

The nature of the structural phase transition from the hexagonal (4H) phase to the cubic (3C) phase of silver.

PubMed

Chakraborty, Indrani; Shirodkar, Sharmila N; Gohil, Smita; Waghmare, Umesh V; Ayyub, Pushan

2014-03-19

The phase transition from the hexagonal 4H polytype of silver to the commonly known 3C (fcc) phase was studied in detail using x-ray diffraction, electron microscopy, differential scanning calorimetry and Raman spectroscopy. The phase transition is irreversible and accompanied by extensive microstructural changes and grain growth. Detailed scanning and isothermal calorimetric analysis suggests that it is an autocatalytic transformation. Though the calorimetric data suggest an exothermic first-order phase transition with an onset at 155.6 °C (for a heating rate of 2 K min(-1)) and a latent heat of 312.9 J g(-1), the microstructure and the electrical resistance appear to change gradually from much lower temperatures. The 4H phase shows a Raman active mode at 64.3 cm(-1) (at 4 K) that undergoes mode softening as the 4H → 3C transformation temperature is approached. A first-principles density functional theory calculation shows that the stacking fault energy of 4H-Ag increases monotonically with temperature. That 4H-Ag has a higher density of stacking faults than 3C-Ag, implies the metastability of the former at higher temperatures. Energetically, the 4H phase is intermediate between the hexagonal 2H phase and the 3C ground state, as indicated by the spontaneous transformation of the 2H to the 4H phase at -4 °C. Our data appear to indicate that the 4H-Ag phase is stabilized at reduced dimensions and thermally induced grain growth is probably responsible for triggering the irreversible transformation to cubic Ag.

New magnetic phase and magnetic coherence in Nd/Sm(001) superlattices

NASA Astrophysics Data System (ADS)

Soriano, S.; Dufour, C.; Dumesnil, K.; Stunault, A.

2006-06-01

In order to investigate magnetic phenomena in Nd and Sm layers separately, resonant x-ray magnetic scattering experiments have been performed to study Nd/Sm(001) superlattices with different relative layers thickness. The samples were grown using molecular beam epitaxy, and optimized to yield dhcp Sm growth and thus a coherent dhcp stacking across the Nd/Sm superlattices. The magnetic phases in Sm layers are very close to the ones evidenced in dhcp thick films. In contrast, the magnetism in Nd layers shows strong differences with the bulk case. In superlattices with a large Sm thickness (>8 nm), no magnetic scattering usually associated with Nd magnetic structure was detected. In superlattices with smaller Sm thickness (<4 nm), new Nd magnetic phases have been observed. A detailed analysis of the propagation of the magnetic structures in the cubic and hexagonal sublattices of both Sm and Nd is presented. Both Sm hexagonal and cubic magnetic phases propagate coherently through 3.7 nm thick Nd layers but remain confined in Sm layers when the Nd layers are 7.1 nm thick. In contrast, the critical Sm thickness allowing a coherent propagation of Nd magnetic order is different for the hexagonal and cubic sublattices above 5 K. Finally, we show that: (i) a spin-density wave and a 4f magnetic order with perpendicular polarization are exclusive on a given crystallographic site (either hexagonal or cubic); (ii) a 4f magnetic order on a crystallographic site does not perturb the establishment of a spin-density wave with a perpendicular polarization on the other site.

Novel Gas Sensor Based on ZnO Nanorod Circular Arrays for C2H5OH Gas Detection.

PubMed

Jianjiao, Zhang; Hongyan, Yue; Erjun, Guo; Shaolin, Zhang; Liping, Wang; Chunyu, Zhang; Xin, Gao; Jing, Chang; Hong, Zhang

2015-03-01

Novel side-heating gas sensor based on ZnO nanorod circular arrays was firstly fabricated by hydrothermal treatment assisted with a kind of simple dip-coating technique. The structure and morphologies of ZnO nanorods were characterized by X-ray diffraction (XRD), Scanning Electron Microscope (SEM), respectively. XRD result indicates that the obtained ZnO nanorods have good crystalline with the hexagonal wurtzite structure. SEM result indicates that ZnO nanorod arrays are vertically growth on the surface of ceramic tube of side-heating sensor with controlled diameter and length, narrow size distribution and high orientation. The gas sensing properties of ZnO nanorod circular arrays are also evaluated. Comparative to the sensor based on scattered ZnO nanorods responding to 25 ppm H2, CO, C6H5CH3 and C2H5OH gas, respectively, the sensing values of high orientation gas sensor are generally increased by 5%. This novel sensor has good application promising for the fabrication of cost effective and high performance gas sensors.

Spectroscopic characterization of zinc oxide nanorods synthesized by solid-state reaction

NASA Astrophysics Data System (ADS)

Prasad, Virendra; D'Souza, Charlene; Yadav, Deepti; Shaikh, A. J.; Vigneshwaran, Nadanathangam

2006-09-01

Well-crystallized zinc oxide nanorods have been fabricated by single step solid-state reaction using zinc acetate and sodium hydroxide, at room temperature. The sodium lauryl sulfate (SLS) stabilized zinc oxide nanorods were characterized by using X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and photoluminescence spectroscopy. The X-ray diffraction revealed the wurtzite structure of zinc oxide. The size estimation by XRD and TEM confirmed that the ZnO nanorods are made of single crystals. The growth of zinc oxide crystals into rod shape was found to be closely related to its hexagonal nature. The mass ratio of SLS:ZnO in the nanorods was found to be 1:10 based on the thermogravimetric analysis. Blue shift of photoluminescence emission was noticed in the ZnO nanorods when compared to that of ZnO bulk. FT-IR analysis confirmed the binding of SLS with ZnO nanorods. Apart from ease of preparation, this method has the advantage of eco-friendliness since the solvent and other harmful chemicals were eliminated in the synthesis protocol.

Enhanced Structural and Luminescent Properties of Carbon-Assisted ZnO Nanorod Arrays on (100) Si Substrate

NASA Astrophysics Data System (ADS)

Yoon, Im Taek; Cho, Hak Dong; Lee, Sejoon; Roshchupkin, Dmitry V.

2018-02-01

We have fabricated as-grown ZnO nanorods (NRs) and carbon-assisted NR arrays on semi-insulating (100)-oriented Si substrates. We compared the structural and luminescent properties of them. High-resolution transmission microscopy, field emission scanning electron microscopy, x-ray diffraction and energy-dispersive x-ray revealed that the as-grown ZnO NRs and carbon-assisted ZnO NRs were single crystals with a hexagonal wurtzite structure, and grew with a c-axis orientation perpendicular to the Si substrate. These measurements show that the carbon-assisted ZnO NRs were better synthesized vertically on an Si substrate compared to the as-grown ZnO NRs. Photoluminescence measurements showed that luminescence intensity of the carbon-assisted ZnO NRs was enhanced compared to the as-grown ZnO NRs. The enhanced luminescence intensity of the carbon-assisted ZnO demonstrates the possible improvement in the performance of photovoltaic nanodevices based on ZnO-like materials. This method can be applied to the fabrication of well-aligned ZnO NRs used widely in optoelectronic devices.

Ultrasound irradiation based in-situ synthesis of star-like Tragacanth gum/zinc oxide nanoparticles on cotton fabric.

PubMed

Ghayempour, Soraya; Montazer, Majid

2017-01-01

Application of natural biopolymers for green and safe synthesis of zinc oxide nanoparticles on the textiles is a novel and interesting approach. The present study offers the use of natural biopolymer, Tragacanth gum, as the reducing, stabilizing and binding agent for in-situ synthesis of zinc oxide nanoparticles on the cotton fabric. Ultrasonic irradiation leads to clean and easy synthesis of zinc oxide nanoparticles in short-time at low-temperature. FESEM/EDX, XRD, FT-IR spectroscopy, DSC, photocatalytic activities and antimicrobial assay are used to characterize Tragacanth gum/zinc oxide nanoparticles coated cotton fabric. The analysis confirmed synthesis of star-like zinc oxide nanoparticles with hexagonal wurtzite structure on the cotton fabric with the average particle size of 62nm. The finished cotton fabric showed a good photocatalytic activity on degradation of methylene blue and 100% antimicrobial properties with inhibition zone of 3.3±0.1, 3.1±0.1 and 3.0±0.1mm against Staphylococcus aureus, Escherichia coli and Candida albicans. Copyright © 2016 Elsevier B.V. All rights reserved.

Two-step fabrication of ZnO-PVP composites with tunable visible emissions

NASA Astrophysics Data System (ADS)

Agulto, Verdad C.; Empizo, Melvin John F.; Kawano, Keisuke; Minami, Yuki; Yamanoi, Kohei; Sarukura, Nobuhiko; Yago, Allan Christopher C.; Sarmago, Roland V.

2018-02-01

We report a two-step fabrication of zinc oxide-polyvinylpyrrolidone (ZnO-PVP) composites for potential phosphor-based applications. The composites are fabricated by initially preparing ZnO microrods using hydrothermal growth method and then dip-coating the microrods into aqueous PVP solutions with varying molar concentrations. The as-prepared ZnO microrods exhibit smooth surfaces and broad visible emissions, while the ZnO-PVP composites have pitted surfaces with shifted and reduced visible emissions. These changes in the structural and optical properties, which are found to depend on the PVP concentration, are attributed to the adsorption of PVP on the microrod surface. Although the surface morphology and visible emission are modified by PVP, the composites still maintain a hexagonal wurtzite crystal structure and near-band-edge ultraviolet (UV) emission similar with the as-prepared microrods. Our results therefore suggest that the ZnO-PVP composites can be used as phosphors that offer not only properties found in both ZnO and PVP but also tunable visible emissions which can be controlled during material fabrication.

Anisotropy of the nitrogen conduction states in the group III nitrides studied by polarized x-ray absorption

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

Lawniczak-Jablonska, K.; Liliental-Weber, Z.; Gullikson, E.M.

1997-04-01

Group III nitrides (AlN, GaN, and InN) consist of the semiconductors which appear recently as a basic materials for optoelectronic devices active in the visible/ultraviolet spectrum as well as high-temperature and high-power microelectronic devices. However, understanding of the basic physical properties leading to application is still not satisfactory. One of the reasons consists in unsufficient knowledge of the band structure of the considered semiconductors. Several theoretical studies of III-nitrides band structure have been published but relatively few experimental studies have been carried out, particularly with respect to their conduction band structure. This motivated the authors to examine the conduction bandmore » structure projected onto p-states of the nitrogen atoms for AlN, GaN and InN. An additional advantage of their studies is the availability of the studied nitrides in two structures, hexagonal (wurtzite) and cubic (zincblende). This offers an opportunity to gain information about the role of the anisotropy of electronic band states in determining various physical properties.« less

Synthesis of ZnO/CuO and TiO{sub 2}/CuO nanocomposites for light and ultrasound assisted degradation of a textile dye in aqueous solution

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

Muzakki, Afifah; Shabrany, Hesni; Saleh, Rosari, E-mail: rosari.saleh@gmail.com, E-mail: rosari.saleh@ui.ac.id

2016-04-19

ZnO/CuO and TiO2/CuO nanocomposites with different Zn/Cu and Ti/Cu ratios were prepared using sol-gel method. The obtained composite samples were used as catalyst. Methylene blue was used as a model of textile dye to evaluate their photocatalytic, sonocatalytic and photosonocatalytic activities. X-ray diffraction and energy dispersive X- ray analysis confirmed that only monoclinic CuO and hexagonal wurtzite ZnO structures are present in ZnO/CuO nanocomposites, while in TiO2/CuO nanocomposites monoclinic CuO and anatase TiO2 structures were observed. The degradation of methylene blue indicated that the incorporation of CuO in ZnO/CuO and TiO2/CuO nanocomposites exhibited an appreciable higher photocatalytic activity, which wasmore » mainly attributed to the extended photoresponding range and more light energy could be utilized than pure ZnO and TiO2.« less

Synthesis and characterization of CdTe nanostructures grown by RF magnetron sputtering method

NASA Astrophysics Data System (ADS)

Akbarnejad, Elaheh; Ghoranneviss, Mahmood; Hantehzadeh, Mohammad Reza

2017-08-01

In this paper, we synthesize Cadmium Telluride nanostructures by radio frequency (RF) magnetron sputtering system on soda lime glass at various thicknesses. The effect of CdTe nanostructures thickness on crystalline, optical and morphological properties has been studied by means of X-ray diffraction (XRD), UV-VIS-NIR spectrophotometry, field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM), respectively. The XRD parameters of CdTe nanostructures such as microstrain, dislocation density, and crystal size have been examined. From XRD analysis, it could be assumed that increasing deposition time caused the formation of the wurtzite hexagonal structure of the sputtered films. Optical properties of the grown nanostructures as a function of film thickness have been observed. All the films indicate more than 60% transmission over a wide range of wavelengths. The optical band gap values of the films have obtained in the range of 1.62-1.45 eV. The results indicate that an RF sputtering method succeeded in depositing of CdTe nanostructures with high purity and controllable physical properties, which is appropriate for photovoltaic and nuclear detector applications.

Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach

NASA Astrophysics Data System (ADS)

Trinkle, Dallas R.

2017-10-01

A general solution for vacancy-mediated diffusion in the dilute-vacancy/dilute-solute limit for arbitrary crystal structures is derived from the master equation. A general numerical approach to the vacancy lattice Green function reduces to the sum of a few analytic functions and numerical integration of a smooth function over the Brillouin zone for arbitrary crystals. The Dyson equation solves for the Green function in the presence of a solute with arbitrary but finite interaction range to compute the transport coefficients accurately, efficiently and automatically, including cases with very large differences in solute-vacancy exchange rates. The methodology takes advantage of the space group symmetry of a crystal to reduce the complexity of the matrix inversion in the Dyson equation. An open-source implementation of the algorithm is available, and numerical results are presented for the convergence of the integration error of the bare vacancy Green function, and tracer correlation factors for a variety of crystals including wurtzite (hexagonal diamond) and garnet.

Optical, Magnetic and Photocatalytic Activity Studies of Li, Mg and Sr Doped and Undoped Zinc Oxide Nanoparticles.

PubMed

Shanthi, S I; Poovaragan, S; Arularasu, M V; Nithya, S; Sundaram, R; Magdalane, C Maria; Kaviyarasu, K; Maaza, M

2018-08-01

Nanoparticles of Li, Mg and Sr doped and undoped zinc oxide was prepared by simple precipitation method. The structural, optical, and magnetic properties of the samples were investigated by the Powder X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), Fourier Transform Infrared (FTIR) spectroscopy, Ultra-violet Visible spectroscopy (UV-vis) spectra, Photoluminescence (PL) and Vibrational Sample Magnetometer (VSM). The Powder X-ray diffraction data confirm the formation of hexagonal wurtzite structure of all doped and undoped ZnO. The SEM photograph reveals that the pores availability and particles size in the range of 10 nm-50 nm. FTIR and UV-Visible spectra results confirm the incorporation of the dopant into the ZnO lattice nanostructure. The UV-Visible spectra indicate that the shift of blue region (lower wavelength) due to bandgap widening. Photoluminescence intensity varies with doping due to the increase of oxygen vacancies in prepared ZnO. The pure ZnO exist paramagnetic while doped (Li, Mg and Sr) ZnO exist ferromagnetic property. The photocatalytic activity of the prepared sample also carried out in detail.

Sol–gel synthesized zinc oxide nanorods and their structural and optical investigation for optoelectronic application

PubMed Central

2014-01-01

Nanostructured zinc oxide (ZnO) nanorods (NRs) with hexagonal wurtzite structures were synthesized using an easy and low-cost bottom-up hydrothermal growth technique. ZnO thin films were prepared with the use of four different solvents, namely, methanol, ethanol, isopropanol, and 2-methoxyethanol, and then used as seed layer templates for the subsequent growth of the ZnO NRs. The influences of the different solvents on the structural and optical properties were investigated through scanning electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet–visible spectroscopy, and photoluminescence. The obtained X-ray diffraction patterns showed that the synthesized ZnO NRs were single crystals and exhibited a preferred orientation along the (002) plane. In addition, the calculated results from the specific models of the refractive index are consistent with the experimental data. The ZnO NRs that grew from the 2-methoxyethanol seeded layer exhibited the smallest grain size (39.18 nm), largest diffracted intensities on the (002) plane, and highest bandgap (3.21 eV). PMID:25221458

Improvement of Mechanical and Dielectric Properties of Epoxy Resin Using CNTs/ZnO Nanocomposite.

PubMed

Vu, Pham Gia; Truc, Trinh Anh; Chinh, Nguyen Thuy; Tham, Do Quang; Trung, Tran Huu; Oanh, Vu Ke; Hang, To Thi Xuan; Olivier, Marjorie; Hoang, Thai

2018-04-01

In this study, carbon nanotubes (CNTs)/ZnO composites had been prepared using the sol-gel method and then incorporated into an epoxy resin for reinforcement of mechanical and electrical properties. Fourier Transform Infrared (FTIR), X-ray diffraction (XRD) Field Emission Scanning Electron Microscope (FE-SEM) analyses show that the ZnO nanoparticles deposited on CNTs were crystallized in a hexagonal wurtzite structure. Average particle size of ZnO deposited on the CNT was about 8 nm. The mechanical and dielectric properties of epoxy containing CNTs/ZnO were investigated in comparison to epoxy resin and epoxy resin containing only CNT or ZnO nanoparticles. The results indicated that tensile strength and elongation at break of the nanocomposite were substantially improved with the presence of CNTs/ZnO at the equal volume. The DSC analysis associate with the dielectric results shows that the behavior of epoxy/CNTs/ZnO is identical to epoxy/ZnO composite, and the CNTs is essential to the distributed arrangement of ZnO in the epoxy resin.

Dye sensitized solar cells using catalytically active CuO-ZnO nanocomposite synthesized by single step method

NASA Astrophysics Data System (ADS)

Abraham, Nelsa; Rufus, Alex; Unni, C.; Philip, Daizy

2018-07-01

In the present paper we report a low cost, single step preparation method for the synthesis of CuO-ZnO nanocomposite through simple co-precipitation technique using oxalic acid. To have a better idea about the deviations brought about by the inclusion of CuO in ZnO lattice, pure ZnO nanoparticles synthesized from 0.1 M solutions were also investigated. X-ray diffraction studies showed that the composite contains only hexagonal wurtzite ZnO and monoclinic CuO structures. The magnetic studies of CuO-ZnO heterostructures were also conducted in order to elucidate the source of the ferromagnetism observed at room temperature. The catalytic efficiency of the as prepared nanocomposite was estimated by the degradation of methylene blue and eosin yellowish which also shows its suitability as a promising candidate in waste water treatment. The effect of chenodeoxycholic acid as a co-adsorbent in the performance of dye sensitized solar cells fabricated using the synthesized ZnO and the nanocomposite was also studied and significant improvement in photovoltaic performance has been obtained for nanocomposite based solar cell.

Growth and characterization of GaN nanostructures under various ammoniating time with fabricated Schottky gas sensor based on Si substrate

NASA Astrophysics Data System (ADS)

Abdullah, Q. N.; Ahmed, A. R.; Ali, A. M.; Yam, F. K.; Hassan, Z.; Bououdina, M.; Almessiere, M. A.

2018-05-01

This paper presents the investigation of the influence of the ammoniating time of GaN nanowires (NWs) on the crystalline structure, surface morphology, and optical characteristics. Morphological analysis indicates the growth of good quality and high density of NWs with diameters around 50 nm and lengths up to tens of microns after ammoniating for 30 min. Structural analysis shows that GaN NWs have a typical hexagonal wurtzite crystal structure. Raman spectroscopy confirms the formation of GaN compound with the presence of compressive stress. Photoluminescence (PL) measurements revealed two band emissions, an UV and a broad visible emission. Hydrogen sensor was subsequently fabricated by depositing Pt Schottky contact onto GaN NWs film. The sensor response was measured at various H2 concentrations ranged from 200 up to 1200 ppm at room temperature. It was found that the response increases significantly for low H2 concentration (200-300 ppm) to reach about 50% then increases smoothly to reach 60% at 1200 ppm. The as-fabricated sensor possesses higher performances as compared to similar devices reported in the literature.

Structure evolution of zinc oxide thin films deposited by unbalance DC magnetron sputtering

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

Aryanto, Didik, E-mail: didi027@lipi.go.id; Materials Research Group, Physics Department, Universitas Negeri Semarang, Gunungpati, Semarang 50229 Jawa Tengah; Marwoto, Putut

Zinc oxide (ZnO) thin films are deposited on corning glass substrates using unbalanced DC magnetron sputtering. The effect of growth temperature on surface morphology and crystallographic orientation of ZnO thin film is studied using atomic force microscopy (AFM) and X-ray diffraction (XRD) techniques. The surface morphology and crystallographic orientation of ZnO thin film are transformed against the increasing of growth temperature. The mean grain size of film and the surface roughness are inversely and directly proportional towards the growth temperature from room temperature to 300 °C, respectively. The smaller grain size and finer roughness of ZnO thin film are obtainedmore » at growth temperature of 400 °C. The result of AFM analysis is in good agreement with the result of XRD analysis. ZnO thin films deposited in a series of growth temperatures have hexagonal wurtzite polycrystalline structures and they exhibit transformations in the crystallographic orientation. The results in this study reveal that the growth temperature strongly influences the surface morphology and crystallographic orientation of ZnO thin film.« less

Post-annealing effect on optical absorbance of hydrothermally grown zinc oxide nanorods

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

Mohar, Rahmat Setiawan; Djuhana, Dede; Imawan, Cuk

In this study, the optical absorbance of zinc oxide (ZnO) nanorods was investigated. The ZnO thin film were deposited on indium tin oxide (ITO) layers using ultrasonic spray pyrolysis (USP) method and then grown by hydrothermal method. In order to improve the optical absorbance, the ZnO nanorods were then post-annealed for one hour at three different of temperatures, namely 250, 400, and 500 °C. The X-ray diffraction (XRD) spectra and FESEM images show that the ZnO nanorods have the hexagonal wurtzite crystal structure and the increasing of post-annealing temperature resulted in the increasing of crystallite size from 38.2 nm to 48.4 nm.more » The UV-vis spectra shows that all samples of ZnO nanorods exhibited the identical sharp absorption edge at 390 nm indicating that all samples have the same bandgap. The post-annealing process seemed to decrease the optical absorbance in the region of 300-550 nm and increase the optical absorbance in the region of 550-700 nm..« less

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.

Dynamic signatures of the transition from stacking disordered to hexagonal ice: Dielectric and nuclear magnetic resonance studies

NASA Astrophysics Data System (ADS)

Gainaru, C.; Vynokur, E.; Köster, K. W.; Fuentes-Landete, V.; Spettel, N.; Zollner, J.; Loerting, T.; Böhmer, R.

2018-04-01

Using various temperature-cycling protocols, the dynamics of ice I were studied via dielectric spectroscopy and nuclear magnetic resonance relaxometry on protonated and deuterated samples obtained by heating high-density amorphous ices as well as crystalline ice XII. Previous structural studies of ice I established that at temperatures of about 230 K, the stacking disorder of the cubic/hexagonal oxygen lattice vanishes. The present dielectric and nuclear magnetic resonance investigations of spectral changes disclose that the memory of the existence of a precursor phase is preserved in the hydrogen matrix up to 270 K. This finding of hydrogen mobility lower than that of the undoped hexagonal ice near the melting point highlights the importance of dynamical investigations of the transitions between various ice phases and sheds new light on the dynamics in ice I in general.

Equilibrium structures of carbon diamond-like clusters and their elastic properties

NASA Astrophysics Data System (ADS)

Lisovenko, D. S.; Baimova, Yu. A.; Rysaeva, L. Kh.; Gorodtsov, V. A.; Dmitriev, S. V.

2017-04-01

Three-dimensional carbon diamond-like phases consisting of sp 3-hybridized atoms, obtained by linking of carcasses of fullerene-like molecules, are studied by methods of molecular dynamics modeling. For eight cubic and one hexagonal diamond-like phases on the basis of four types of fullerene-like molecules, equilibrium configurations are found and the elastic constants are calculated. The results obtained by the method of molecular dynamics are used for analytical calculations of the elastic characteristics of the diamond- like phases with the cubic and hexagonal anisotropy. It is found that, for a certain choice of the dilatation axis, three of these phases have negative Poisson's ratio, i.e., are partial auxetics. The variability of the engineering elasticity coefficients (Young's modulus, Poisson's ratio, shear modulus, and bulk modulus) is analyzed.

Thermal phase transition behavior of lipid layers on a single human corneocyte cell.

PubMed

Imai, Tomohiro; Nakazawa, Hiromitsu; Kato, Satoru

2013-09-01

We have improved the selected area electron diffraction method to analyze the dynamic structural change in a single corneocyte cell non-invasively stripped off from human skin surface. The improved method made it possible to obtain reliable diffraction images to trace the structural change in the intercellular lipid layers on a single corneocyte cell during heating from 24°C to 100°C. Comparison of the results with those of synchrotron X-ray diffraction experiments on human stratum corneum sheets revealed that the intercellular lipid layers on a corneocyte cell exhibit essentially the same thermal phase transitions as those in a stratum corneum sheet. These results suggest that the structural features of the lipid layers are well preserved after the mechanical stripping of the corneocyte cell. Moreover, electron diffraction analyses of the thermal phase transition behaviors of the corneocyte cells that had the lipid layers with different distributions of orthorhombic and hexagonal domains at 24°C suggested that small orthorhombic domains interconnected with surrounding hexagonal domains transforms in a continuous manner into new hexagonal domains. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Structural, bonding, and electronic properties of the hexagonal ferroelectric and paraelectric phases of LuMnO{sub 3} compound: A density functional theory study

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

Sousa, A. M.; Coutinho, W. S.; Lima, A. F.

2015-02-21

We have investigated the structural, bonding, and electronic properties of both ferroelectric (FE) and paraelectric (PE) phases of the hexagonal LuMnO{sub 3} compound using calculations based on density functional theory. The structural properties have been determined by employing the generalized gradient approximation with Perdew-Burke-Ernzerhof and Wu-Cohen parameterization. The bonding and electronic properties have been treated by recently developed modified Becke-Johnson exchange potential, which succeeded to open a band gap for both PE and FE phases, in agreement with experimental predictions. The Bader’s topological analysis of electronic density showed that the character of the Lu–O axial bonds changes when the crystalmore » exhibits the PE → FE structural transition. This fact is in agreement with experimental findings. The covalent character of the Lu–O bond significantly increases due to orbital hybridization between the Lu 5d{sub z}{sup 2} and O 2p{sub z}-states. This bonding mechanism causes the ferroelectricity in the hexagonal LuMnO{sub 3} compound.« less

Topological Quantum Phase Transitions in Two-Dimensional Hexagonal Lattice Bilayers

NASA Astrophysics Data System (ADS)

Zhai, Xuechao; Jin, Guojun

2013-09-01

Since the successful fabrication of graphene, two-dimensional hexagonal lattice structures have become a research hotspot in condensed matter physics. In this short review, we theoretically focus on discussing the possible realization of a topological insulator (TI) phase in systems of graphene bilayer (GBL) and boron nitride bilayer (BNBL), whose band structures can be experimentally modulated by an interlayer bias voltage. Under the bias, a band gap can be opened in AB-stacked GBL but is still closed in AA-stacked GBL and significantly reduced in AA- or AB-stacked BNBL. In the presence of spin-orbit couplings (SOCs), further demonstrations indicate whether the topological quantum phase transition can be realized strongly depends on the stacking orders and symmetries of structures. It is observed that a bulk band gap can be first closed and then reopened when the Rashba SOC increases for gated AB-stacked GBL or when the intrinsic SOC increases for gated AA-stacked BNBL. This gives a distinct signal for a topological quantum phase transition, which is further characterized by a jump of the ℤ2 topological invariant. At fixed SOCs, the TI phase can be well switched by the interlayer bias and the phase boundaries are precisely determined. For AA-stacked GBL and AB-stacked BNBL, no strong TI phase exists, regardless of the strength of the intrinsic or Rashba SOCs. At last, a brief overview is given on other two-dimensional hexagonal materials including silicene and molybdenum disulfide bilayers.

Wurtzite spin lasers

NASA Astrophysics Data System (ADS)

Faria Junior, Paulo E.; Xu, Gaofeng; Chen, Yang-Fang; Sipahi, Guilherme M.; Žutić, Igor

2017-03-01

Semiconductor lasers are strongly altered by adding spin-polarized carriers. Such spin lasers could overcome many limitations of their conventional (spin-unpolarized) counterparts. While the vast majority of experiments in spin lasers employed zinc-blende semiconductors, the room-temperature electrical manipulation was first demonstrated in wurtzite GaN-based lasers. However, the underlying theoretical description of wurtzite spin lasers is still missing. To address this situation, focusing on (In,Ga)N-based wurtzite quantum wells, we develop a theoretical framework in which the calculated microscopic spin-dependent gain is combined with a simple rate equation model. A small spin-orbit coupling in these wurtzites supports simultaneous spin polarizations of electrons and holes, providing unexplored opportunities to control spin lasers. For example, the gain asymmetry, as one of the key figures of merit related to spin amplification, can change the sign by simply increasing the carrier density. The lasing threshold reduction has a nonmonotonic dependence on electron-spin polarization, even for a nonvanishing hole spin polarization.

Far field emission profile of pure wurtzite InP nanowires

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

Bulgarini, Gabriele, E-mail: g.bulgarini@tudelft.nl; Reimer, Michael E.; Zwiller, Val

2014-11-10

We report on the far field emission profile of pure wurtzite InP nanowires in comparison to InP nanowires with predominantly zincblende crystal structure. The emission profile is measured on individual nanowires using Fourier microscopy. The most intense photoluminescence of wurtzite nanowires is collected at small angles with respect to the nanowire growth axis. In contrast, zincblende nanowires present a minimum of the collected light intensity in the direction of the nanowire growth. Results are explained by the orientation of electric dipoles responsible for the photoluminescence, which is different from wurtzite to zincblende. Wurtzite nanowires have dipoles oriented perpendicular to themore » nanowire growth direction, whereas zincblende nanowires have dipoles oriented along the nanowire axis. This interpretation is confirmed by both numerical simulations and polarization dependent photoluminescence spectroscopy. Knowledge of the dipole orientation in nanostructures is crucial for developing a wide range of photonic devices such as light-emitting diodes, photodetectors, and solar cells.« less

Crystal structure, chemical expansion and phase stability of HoMnO{sub 3} at high temperature

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

Selbach, Sverre M., E-mail: selbach@material.ntnu.no; Nordli Lovik, Amund; Bergum, Kristin

Anisotropic thermal and chemical expansion of hexagonal HoMnO{sub 3} was investigated by high temperature X-ray diffraction in inert (N{sub 2}) and oxidizing (air) atmospheres up to 1623 K. A second order structural phase transition directly from P6{sub 3}cm to P6{sub 3}/mmc was found at 1298{+-}4 K in N{sub 2} atmosphere, and 1318{+-}4 K in air. For the low temperature polymorph P6{sub 3}cm the contraction of the c-axis was more rapid in inert than in oxidizing atmosphere. The c-axis of the P6{sub 3}/mmc polymorph of HoMnO{sub 3} displayed anomalously high expansion above 1400 K, which is discussed in relation to chemicalmore » expansion caused by point defects. The a-axis expanded stronger in inert than oxidizing atmosphere. Anisotropic chemical and thermal expansion of the P6{sub 3}cm phase of YMnO{sub 3} in N{sub 2}, air and O{sub 2} atmospheres was found to be qualitatively similar to that of HoMnO{sub 3}. Decomposition of hexagonal HoMnO{sub 3} by two different processes occurs in oxidizing atmosphere above {approx}1200 K followed by nucleation and growth of the perovskite polymorph of HoMnO{sub 3}. A rapid, reconstructive transition from the perovskite back to the hexagonal polymorph was observed in situ at 1623 K upon reduction of the partial pressure of oxygen. A phase stability diagram of the hexagonal and orthorhombic polymorphs is proposed. Finally, distinctly non-linear electrical conductivity was observed for both HoMnO{sub 3} and YMnO{sub 3} in oxidizing atmosphere between 555 and 630 K, and shown to be associated with excess oxygen. - Graphical abstract: Chemical expansion of hexagonal HoMnO{sub 3} is observed during HTXRD in different pO{sub 2}. Oxidizing atmosphere favors the competing perovskite polymorph. Electrical conductivity anomalies related to excess oxygen are found at 550-630 K. Highlights: Black-Right-Pointing-Pointer Thermal evolution of crystal structure of HoMnO{sub 3} studied up to 1623 K in air and N{sub 2}. Black-Right-Pointing-Pointer Anisotropic chemical expansion of HoMnO{sub 3} and YMnO{sub 3} in N{sub 2}, air and O{sub 2}. Black-Right-Pointing-Pointer Hexagonal phase destabilized with respect to perovskite in oxidizing atmosphere. Black-Right-Pointing-Pointer Crystal structure and phase stability discussed in terms of point defect chemistry. Black-Right-Pointing-Pointer Electrical conductivity anomalies associated with excess oxygen at 550-630 K.« less

Structural, spectroscopic and anti-microbial inspection of PEG capped ZnO nanoparticles for biomedical applications

NASA Astrophysics Data System (ADS)

Meshram, J. V.; Koli, V. B.; Kumbhar, S. G.; Borde, L. C.; Phadatare, M. R.; Pawar, S. H.

2018-04-01

Zinc oxide (ZnO) nanoparticles (NPs) have a wide range of biomedical applications. Present study demonstrates the new methodology in sol-gel technology for synthesizing Polyethylene glycol (PEG) capped ZnO NPs and its size effect on anti-microbial activity. The reaction time was increased from 1 h to 5 h for the synthesis of ZnO NPs at 130 °C. The size of PEG capped ZnO NPs is increased from 10 to 84 nm by increasing the reaction upto 5 h. The x-ray diffraction studies and transmission electron microscopy analysis reveals the phase purity and hexagonal wurtzite crystal structure with uniform PEG capping on the surface of ZnO NPs. UV–visible spectroscopy exhibits the peak at 366 nm which is attributed to ZnO NPs. No adverse effect is observed in case of absorbance spectroscopy. Further, Fourier transforms infrared spectroscopy and thermo gravimetric analysis depicts the adsorption of PEG molecules on the ZnO NPs surface. The anti-microbial activities for both Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria were studied by optical density (OD) mesurement. The remarkable anti-microbial activity was observed for PEG capped ZnO NPs synthesized at 1 h reaction time showing higher activity in comparison with that synthesized from 2 h to 5 h reaction time. The microbial growth was found to be inhibited after 10 h OD measurement for both the bacteria. The anti-microbial activity may be attributed to the generation of ROS and H2O2. However, these generated species plays a vital role in inhibition of microbial growth. Hence, PEG capped ZnO NPs has promising biomedical applications.

Synthesis and Physical Properties Characterization of CdSe1-ySy Nanolayers Deposited by Chemical Bath Deposition at Low-Temperature Treatment

NASA Astrophysics Data System (ADS)

Flores-Mena, J. E.; Contreras-Rascón, J. I.; Diaz-Reyes, J.; Castillo-Ojeda, R. S.

In this work, we present the synthesis and structural and optical characterizations of CdSe1-y S y deposited by chemical bath deposition (CBD) technique on corning glass at a temperature of 20 ± 2 °C. The sulfur molar fraction was varied from 0 to 42.13 %, which was realized by varying the thiourea volume added to the growth solution in the range from 0 to 30 mL. The chemical stoichiometry was estimated by energy dispersive spectrometry (EDS). The CdSe1-y S y showed hexagonal wurtzite crystalline phase that was found by X-ray diffraction (XRD) analysis and Raman spectroscopy. The average grain size range of the films was 1.48-1.68 nm that was determined using the Debye-Scherrer equation W(002) direction and was confirmed by high-resolution transmission electron microscopy (HRTEM). Raman scattering shows that the lattice dynamics is characteristic of bimodal behavior and the multipeaks adjust to the first optical longitudinal mode for the CdSeS, in all cases, Raman spectra show two dominant vibrational bands about 208 and 415 cm-1 associated at CdSe-1LO-like and CdSe-2LO-like. CdSe1-y S y band gap energy can be varied from 1.86 to 2.16 eV by varying the thiourea volume added in growth solution in the investigated range obtained by transmittance measurements at room temperature. The room temperature photoluminescence shows a dominant radiation band at about 3.0 eV that can be associated with exciton bonded to donor impurity and the quantum confinement because of the grain size is less than the Bohr radius.

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.

InP-InxGa1-xAs core-multi-shell nanowire quantum wells with tunable emission in the 1.3-1.55 μm wavelength range.

PubMed

Fonseka, H A; Ameruddin, A S; Caroff, P; Tedeschi, D; De Luca, M; Mura, F; Guo, Y; Lysevych, M; Wang, F; Tan, H H; Polimeni, A; Jagadish, C

2017-09-21

The usability and tunability of the essential InP-InGaAs material combination in nanowire-based quantum wells (QWs) are assessed. The wurtzite phase core-multi-shell InP-InGaAs-InP nanowire QWs are characterised using cross-section transmission electron microscopy and photoluminescence measurements. The InP-InGaAs direct interface is found to be sharp while the InGaAs-InP inverted interface is more diffused, in agreement with their planar counterpart. Bright emission is observed from the single nanowires containing the QWs at room temperature, with no emission from the InP core or outer barrier. The tunability of the QW emission wavelength in the 1.3-1.55 μm communication wavelength range is demonstrated by varying the QW thickness and in the 1.3 μm range by varying the composition. The experiments are supported by simulation of the emission wavelength of the wurtzite phase InP-InGaAs QWs in the thickness range considered. The radial heterostructure is further extended to design multiple QWs with bright emission, therefore establishing the capability of this material system for nanowire based optical devices for communication applications.

Understanding the Degradation Mechanism of Lithium Nickel Oxide Cathodes for Li-Ion Batteries

DOE PAGES

Xu, Jing; Hu, Enyuan; Nordlund, Dennis; ...

2016-11-01

The phase transition, charge compensation, and local chemical environment of Ni in LiNiO 2 were investigated to understand the degradation mechanism. The electrode was subjected to a variety of bulk and surface-sensitive characterization techniques under different charge–discharge cycling conditions. We observed the phase transition from the original hexagonal H1 phase to another two hexagonal phases (H2 and H3) upon Li deintercalation. Moreover, the gradual loss of H3-phase features was revealed during the repeated charges. The reduction in Ni redox activity occurred at both the charge and the discharge states, and it appeared both in the bulk and at the surfacemore » over the extended cycles. In conclusion, the degradation of crystal structure significantly contributes to the reduction of Ni redox activity, which in turn causes the cycling performance decay of LiNiO 2.« less

An interatomic pair potential for cadmium selenide

NASA Astrophysics Data System (ADS)

Rabani, Eran

2002-01-01

We have developed a set of interatomic pair potentials for cadmium selenide based on a form similar to the Born-Mayer model. We show that this simple form of the pair potential, which has been used to describe the properties of alkali halides in the sixfold-coordinate structure, provides a realistic description of the properties of cadmium selenide in all three crystal structures: wurtzite, zinc blende, and rocksalt. Using the new pair potential we have studied the pressure-induced phase transition from the fourfold-coordinate wurtzite structure to the sixfold-coordinate rocksalt structure. The pressure transformation and the equation of state are in good agreement with experimental observations. Using the dispersion term in our pair potential we have also calculated the Hamaker constant for cadmium selenide within the framework of the original microscopic approach due to Hamaker. The results indicate that for ionic materials many-body terms that are included in the Lifshitz theory are well captured by the simple pair potential.

Optical determination of crystal phase in semiconductor nanocrystals

PubMed Central

Lim, Sung Jun; Schleife, André; Smith, Andrew M.

2017-01-01

Optical, electronic and structural properties of nanocrystals fundamentally derive from crystal phase. This is especially important for polymorphic II–VI, III–V and I-III-VI2 semiconductor materials such as cadmium selenide, which exist as two stable phases, cubic and hexagonal, each with distinct properties. However, standard crystallographic characterization through diffraction yields ambiguous phase signatures when nanocrystals are small or polytypic. Moreover, diffraction methods are low-throughput, incompatible with solution samples and require large sample quantities. Here we report the identification of unambiguous optical signatures of cubic and hexagonal phases in II–VI nanocrystals using absorption spectroscopy and first-principles electronic-structure theory. High-energy spectral features allow rapid identification of phase, even in small nanocrystals (∼2 nm), and may help predict polytypic nanocrystals from differential phase contributions. These theoretical and experimental insights provide simple and accurate optical crystallographic analysis for liquid-dispersed nanomaterials, to improve the precision of nanocrystal engineering and improve our understanding of nanocrystal reactions. PMID:28513577

Nonequilibrium phase transitions of sheared colloidal microphases: Results from dynamical density functional theory

NASA Astrophysics Data System (ADS)

Stopper, Daniel; Roth, Roland

2018-06-01

By means of classical density functional theory and its dynamical extension, we consider a colloidal fluid with spherically symmetric competing interactions, which are well known to exhibit a rich bulk phase behavior. This includes complex three-dimensional periodically ordered cluster phases such as lamellae, two-dimensional hexagonally packed cylinders, gyroid structures, or spherical micelles. While the bulk phase behavior has been studied extensively in earlier work, in this paper we focus on such structures confined between planar repulsive walls under shear flow. For sufficiently high shear rates, we observe that microphase separation can become fully suppressed. For lower shear rates, however, we find that, e.g., the gyroid structure undergoes a kinetic phase transition to a hexagonally packed cylindrical phase, which is found experimentally and theoretically in amphiphilic block copolymer systems. As such, besides the known similarities between the latter and colloidal systems regarding the equilibrium phase behavior, our work reveals further intriguing nonequilibrium relations between copolymer melts and colloidal fluids with competing interactions.

Strain relaxation and ambipolar electrical transport in GaAs/InSb core-shell nanowires.

PubMed

Rieger, Torsten; Zellekens, Patrick; Demarina, Natalia; Hassan, Ali Al; Hackemüller, Franz Josef; Lüth, Hans; Pietsch, Ullrich; Schäpers, Thomas; Grützmacher, Detlev; Lepsa, Mihail Ion

2017-11-30

The growth, crystal structure, strain relaxation and room temperature transport characteristics of GaAs/InSb core-shell nanowires grown using molecular beam epitaxy are investigated. Due to the large lattice mismatch between GaAs and InSb of 14%, a transition from island-based to layer-like growth occurs during the formation of the shell. High resolution transmission electron microscopy in combination with geometric phase analyses as well as X-ray diffraction with synchrotron radiation are used to investigate the strain relaxation and prove the existence of different dislocations relaxing the strain on zinc blende and wurtzite core-shell nanowire segments. While on the wurtzite phase only Frank partial dislocations are found, the strain on the zinc blende phase is relaxed by dislocations with perfect, Shockley partial and Frank partial dislocations. Even for ultrathin shells of about 2 nm thickness, the strain caused by the high lattice mismatch between GaAs and InSb is relaxed almost completely. Transfer characteristics of the core-shell nanowires show an ambipolar conductance behavior whose strength strongly depends on the dimensions of the nanowires. The interpretation is given based on an electronic band profile which is calculated for completely relaxed core/shell structures. The peculiarities of the band alignment in this situation implies simultaneously occupied electron and hole channels in the InSb shell. The ambipolar behavior is then explained by the change of carrier concentration in both channels by the gate voltage.

Magnetic ground state of the multiferroic hexagonal LuFe O3

NASA Astrophysics Data System (ADS)

Suresh, Pittala; Vijaya Laxmi, K.; Bera, A. K.; Yusuf, S. M.; Chittari, Bheema Lingam; Jung, Jeil; Anil Kumar, P. S.

2018-05-01

The structural, electric, and magnetic properties of bulk hexagonal LuFe O3 are investigated. Single phase hexagonal LuFe O3 has been successfully stabilized in the bulk form without any doping by sol-gel method. The hexagonal crystal structure with P 63c m space group has been confirmed by x-ray-diffraction, neutron-diffraction, and Raman spectroscopy study at room temperature. Neutron diffraction confirms the hexagonal phase of LuFe O3 persists down to 6 K. Further, the x-ray photoelectron spectroscopy established the 3+ oxidation state of Fe ions. The temperature-dependent magnetic dc susceptibility, specific heat, and neutron-diffraction studies confirm an antiferromagnetic ordering below the Néel temperature (TN)˜130 K . Analysis of magnetic neutron-diffraction patterns reveals an in-plane (a b -plane) 120∘ antiferromagnetic structure, characterized by a propagation vector k =(0 0 0 ) with an ordered moment of 2.84 μB/F e3 + at 6 K. The 120∘ antifferomagnetic ordering is further confirmed by spin-orbit coupling density functional theory calculations. The on-site coulomb interaction (U ) and Hund's parameter (JH) on Fe atoms reproduced the neutron-diffraction Γ1 spin pattern among the Fe atoms. P -E loop measurements at room temperature confirm an intrinsic ferroelectricity of the sample with remnant polarization Pr˜0.18 μ C /c m2 . A clear anomaly in the dielectric data is observed at ˜TN revealing the presence of magnetoelectric coupling. A change in the lattice constants at TN has also been found, indicating the presence of a strong magnetoelastic coupling. Thus a coupling between lattice, electric, and magnetic degrees of freedom is established in bulk hexagonal LuFe O3 .

Effect of calcination temperature on the photodegradation efficiency of Ni/ZnO composite in removal of organic dye

NASA Astrophysics Data System (ADS)

Thein, Myo Thuya; Pung, Swee-Yong; Aziz, Azizan; Lockman, Zainovia; Itoh, Mitsuru

2017-07-01

ZnO based composite is an attractive UV light driven semiconductor photocatalyst to degrade organic compounds attributed to its wide bandgap (3.37 eV). In this study, Ni/ZnO composites were synthesized via solution precipitation method. The composites were calcinated at various temperature, i.e. from 250 °C to 700 °C and subsequently annealed at 500°C in reductive environment (hydrogen atmosphere). The diffraction peaks of all samples could be indexed to the hexagonal wurtzite ZnO. No diffraction peaks from Ni could be observed in all samples, suggesting that the amount of Ni in the composites were below the detection limit of X-ray diffraction (XRD). The field emission scanning electron microscope (FESEM) images confirm that all samples were rod-like structure with hexagonal tips. In addition, small Ni particles were homogeneously deposited on the surface of ZnO rods. This observation is supported by energy dispersive X-ray spectroscopy (EDX) analysis, showing present of Zn, O and Ni elements. It is noted that ZnO rods coupled with Ni experienced quenching of visible emission and enhancing of UV emission in room temperature photoluminescence (RTPL) analysis. The photodegradation efficiency of Ni/ZnO rods was improved when a higher calcination temperature was used. The removal of RhB dye under UV light (352 nm) by these photocatalysts followed pseudo first-order kinetic reaction. The Ni/ZnO composites synthesized at calcination temperature of 500 °C demonstrated the highest photodegradation efficiency of 37 % and the largest rate constant of 0.0053 min-1 after 75 min UV irradiation.

Thermal Conductivity of Wurtzite Zinc-Oxide from First-Principles Lattice Dynamics - a Comparative Study with Gallium Nitride

NASA Astrophysics Data System (ADS)

Wu, Xufei; Lee, Jonghoon; Varshney, Vikas; Wohlwend, Jennifer L.; Roy, Ajit K.; Luo, Tengfei

2016-03-01

Wurtzite Zinc-Oxide (w-ZnO) is a wide bandgap semiconductor that holds promise in power electronics applications, where heat dissipation is of critical importance. However, large discrepancies exist in the literature on the thermal conductivity of w-ZnO. In this paper, we determine the thermal conductivity of w-ZnO using first-principles lattice dynamics and compare it to that of wurtzite Gallium-Nitride (w-GaN) - another important wide bandgap semiconductor with the same crystal structure and similar atomic masses as w-ZnO. However, the thermal conductivity values show large differences (400 W/mK of w-GaN vs. 50 W/mK of w-ZnO at room temperature). It is found that the much lower thermal conductivity of ZnO originates from the smaller phonon group velocities, larger three-phonon scattering phase space and larger anharmonicity. Compared to w-GaN, w-ZnO has a smaller frequency gap in phonon dispersion, which is responsible for the stronger anharmonic phonon scattering, and the weaker interatomic bonds in w-ZnO leads to smaller phonon group velocities. The thermal conductivity of w-ZnO also shows strong size effect with nano-sized grains or structures. The results from this work help identify the cause of large discrepancies in w-ZnO thermal conductivity and will provide in-depth understanding of phonon dynamics for the design of w-ZnO-based electronics.

Thermal Conductivity of Wurtzite Zinc-Oxide from First-Principles Lattice Dynamics – a Comparative Study with Gallium Nitride

PubMed Central

Wu, Xufei; Lee, Jonghoon; Varshney, Vikas; Wohlwend, Jennifer L.; Roy, Ajit K.; Luo, Tengfei

2016-01-01

Wurtzite Zinc-Oxide (w-ZnO) is a wide bandgap semiconductor that holds promise in power electronics applications, where heat dissipation is of critical importance. However, large discrepancies exist in the literature on the thermal conductivity of w-ZnO. In this paper, we determine the thermal conductivity of w-ZnO using first-principles lattice dynamics and compare it to that of wurtzite Gallium-Nitride (w-GaN) – another important wide bandgap semiconductor with the same crystal structure and similar atomic masses as w-ZnO. However, the thermal conductivity values show large differences (400 W/mK of w-GaN vs. 50 W/mK of w-ZnO at room temperature). It is found that the much lower thermal conductivity of ZnO originates from the smaller phonon group velocities, larger three-phonon scattering phase space and larger anharmonicity. Compared to w-GaN, w-ZnO has a smaller frequency gap in phonon dispersion, which is responsible for the stronger anharmonic phonon scattering, and the weaker interatomic bonds in w-ZnO leads to smaller phonon group velocities. The thermal conductivity of w-ZnO also shows strong size effect with nano-sized grains or structures. The results from this work help identify the cause of large discrepancies in w-ZnO thermal conductivity and will provide in-depth understanding of phonon dynamics for the design of w-ZnO-based electronics. PMID:26928396

Experimental Investigation of Hexagon Stability in Two Frequency Forced Faraday Waves

NASA Astrophysics Data System (ADS)

Ding, Yu; Umbanhowar, Paul

2003-03-01

We have conducted experiments on a deep layer of silicone oil vertically oscillated with an acceleration a(t) = Am sin(m ω t + φ_m) + An sin(n ω t + φ_n). The stability of hexagonal surface wave patterns is investigated as a function of the overall acceleration, the ratio m:n, and the phase of the two rationally related driving frequencies. When the ratio A_m/An is chosen so the system is near a co-dimension two point, the stability of hexagons above onset is determined by the acceleration amplitude and the relative phase. Recent results by Porter and Silver (J. Porter and M. Silber, Phys. Rev. Lett. 084501, 2002) predicts that the range of pattern stability above onset as a function of acceleration is determined by cos(Φ), where Φ = π/4 - m φn / 2- n φm /2. We have tested this prediction for a number of m:n ratios and for various values of the dimensionless damping coefficient γ. We find that the patterns exhibit the predicted functional dependence on s(Φ) but with an additional phase offset. We measure the phase offset as a function of m:n and γ for varying frequency ω and fluid viscosity 5 cS <= ν <= 30 cS.

Stability, electronic structures and thermoelectric properties of binary Zn–Sb materials

DOE PAGES

He, Xin; Fu, Yuhao; Singh, David J.; ...

2016-11-03

We report first principles studies of the binary Zn–Sb phases in relation to thermoelectric properties and chemical stability. We identify the unknown structure of the Zn 3Sb 2 phase using particle swarm optimization, finding a tetragonal structure different from the hexagonal Mg 3Sb 2 and the hexagonal or cubic Ca 3Sb 2 phases. All the phases are found to be semiconducting with bandgaps in the range of 0.06–0.77 eV. This semiconducting behavior is understood in Zintl terms as a balance between the Zn:Sb and Sb 3-:½(Sb 2) 4- ratios in the stable crystal structures. With the exception of Zn 3Sbmore » 2, which has a small gap, all the compounds have electronic properties favorable for thermoelectric performance.« less

Transferable model of water with variable molecular size

NASA Astrophysics Data System (ADS)

Kiss, Péter T.; Baranyai, András

2011-06-01

By decreasing the steepness of the repulsive wing in the intermolecular potential, one can extend the applicability of a water model to the high pressure region. Exploiting this trivial possibility, we published a polarizable model of water which provided good estimations not only of gas clusters, ambient liquid, hexagonal ice, but ice VII at very high pressures as well [A. Baranyai and P. Kiss, J. Chem. Phys. 133, 144109 (2010), 10.1063/1.3490660]. This straightforward method works well provided the closest O-O distance is reasonably shorter in the high pressure phase than in hexagonal ice. If these O-O distances are close to each other and we fit the interactions to obtain an accurate picture of hexagonal ice, we underestimate the density of the high-pressure phases. This can be overcome if models use contracted molecules under high external pressure.In this paper we present a method, which is capable to describe the contraction of water molecules under high pressure by using two simple repulsion-attraction functions. These functions represent the dispersion interaction under low pressure and high pressure. The switch function varies between 0 and 1 and portions the two repulsions among the individual particles. The argument of the switch function is a virial-type expression, which can be interpreted as a net force compressing the molecule. We calculated the properties of gas clusters, densities, and internal energies of ambient water, hexagonal ice, ice III, ice VI, and ice VII phases and obtained excellent match of experimental data.

Tuning the morphology, luminescence and magnetic properties of hexagonal-phase NaGdF4: Yb, Er nanocrystals via altering the addition sequence of the precursors

NASA Astrophysics Data System (ADS)

Zhao, Shuwen; Xia, Donglin; Zhao, Ruimin; Zhu, Hao; Zhu, Yiru; Xiong, Yuda; Wang, Youfa

2017-01-01

Hexagonal-phase NaGdF4: Yb, Er upconversion nanocrystals (UCNCs) with tunable morphology and properties were successfully prepared via a thermal decomposition method. The influences of the adding sequence of the precursors on the morphology, chemical composition, luminescence and magnetic properties were investigated by transmission electron microscopy (TEM), inductively coupled plasma-atomic emission spectrometry (ICP-AES), upconversion (UC) spectroscopy, and a vibrating sample magnetometer (VSM). It was found that the resulting nanocrystals, with different sizes ranging from 24 to 224 nm, are in the shape of spheres, hexagonal plates and flakes; moreover, the composition percentage of Yb3+-Er3+ and Gd3+ ions was found to vary in a regular pattern with the adding sequence. Furthermore, the intensity ratios of emission colors (f g/r, f g/p), and the magnetic mass susceptibility of hexagonal-phase NaGdF4: Yb, Er nanocrystals change along with the composition of the nanocrystals. A positive correlation between the susceptibility and f g/r of NaGdF4: Yb, Er was proposed. The decomposition processes of the precursors were investigated by a thermogravimetric (TG) analyzer. The result indicated that the decomposition of the resolved lanthanide trifluoroacetate is greatly different from lanthanide trifluoroacetate powder. It is of tremendous help to recognize the decomposition process of the precursors and to understand the related reaction mechanism.

Preparation, characterization and properties of ZnO nanomaterials

NASA Astrophysics Data System (ADS)

Luo, Jiaolian; Zhang, Xiaoming; Chen, Ruxue; Wang, Xiaohui; Zhu, Ji; Wang, Xiaomin

2017-06-01

In this paper, using the hydrothermal synthesis method, NaOH, Zn(NO3)2, anhydrous ethanol, deionized water as raw material to prepare ZnO nanomaterial, and by X ray diffraction (XRD), scanning electron microscopy (SEM) and photoluminescence spectroscopy (PL) on the synthesis of nano materials, surface morphology and phase luminescence characterization. The results show that the nano materials synthesized for single-phase ZnO, belonging to the six wurtzite structure; material surface shaped, arranged evenly distributed, and were the top six party structure; ZnO nano materials synthesized with strong emission spectra, emission peak is located at 394nm.

A crystallographic investigation of GaN nanostructures by reciprocal space mapping in a grazing incidence geometry.

PubMed

Lee, Sanghwa; Sohn, Yuri; Kim, Chinkyo; Lee, Dong Ryeol; Lee, Hyun-Hwi

2009-05-27

Reciprocal space mapping with a two-dimensional (2D) area detector in a grazing incidence geometry was applied to determine crystallographic orientations of GaN nanostructures epitaxially grown on a sapphire substrate. By using both unprojected and projected reciprocal space mapping with a proper coordinate transformation, the crystallographic orientations of GaN nanostructures with respect to that of a substrate were unambiguously determined. In particular, the legs of multipods in the wurtzite phase were found to preferentially nucleate on the sides of tetrahedral cores in the zinc blende phase.

Cu3-xP Nanocrystals as a Material Platform for Near-Infrared Plasmonics and Cation Exchange Reactions

PubMed Central

2015-01-01

Synthesis approaches to colloidal Cu3P nanocrystals (NCs) have been recently developed, and their optical absorption features in the near-infrared (NIR) have been interpreted as arising from a localized surface plasmon resonance (LSPR). Our pump–probe measurements on platelet-shaped Cu3-xP NCs corroborate the plasmonic character of this absorption. In accordance with studies on crystal structure analysis of Cu3P dating back to the 1970s, our density functional calculations indicate that this material is substoichiometric in copper, since the energy of formation of Cu vacancies in certain crystallographic sites is negative, that is, they are thermodynamically favored. Also, thermoelectric measurements point to a p-type behavior of the majority carriers from films of Cu3-xP NCs. It is likely that both the LSPR and the p-type character of our Cu3-xP NCs arise from the presence of a large number of Cu vacancies in such NCs. Motivated by the presence of Cu vacancies that facilitate the ion diffusion, we have additionally exploited Cu3-xP NCs as a starting material on which to probe cation exchange reactions. We demonstrate here that Cu3-xP NCs can be easily cation-exchanged to hexagonal wurtzite InP NCs, with preservation of the anion framework (the anion framework in Cu3-xP is very close to that of wurtzite InP). Intermediate steps in this reaction are represented by Cu3-xP/InP heterostructures, as a consequence of the fact that the exchange between Cu+ and In3+ ions starts from the peripheral corners of each NC and gradually evolves toward the center. The feasibility of this transformation makes Cu3-xP NCs an interesting material platform from which to access other metal phosphides by cation exchange. PMID:25960605

Evidence of Cholesterol Accumulated in High Curvature Regions: Implication ot the Curvature Elastic Energy for Lipid Mixtures

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

Wang,W.; Yang, L.; Huang, H.

2007-01-01

Recent experiments suggested that cholesterol and other lipid components of high negative spontaneous curvature facilitate membrane fusion. This is taken as evidence supporting the stalk-pore model of membrane fusion in which the lipid bilayers go through intermediate structures of high curvature. How do the high-curvature lipid components lower the free energy of the curved structure? Do the high-curvature lipid components modify the average spontaneous curvature of the relevant monolayer, thereby facilitate its bending, or do the lipid components redistribute in the curved structure so as to lower the free energy? This question is fundamental to the curvature elastic energy formore » lipid mixtures. Here we investigate the lipid distribution in a monolayer of a binary lipid mixture before and after bending, or more precisely in the lamellar, hexagonal, and distorted hexagonal phases. The lipid mixture is composed of 2:1 ratio of brominated di18:0PC and cholesterol. Using a newly developed procedure for the multiwavelength anomalous diffraction method, we are able to isolate the bromine distribution and reconstruct the electron density distribution of the lipid mixture in the three phases. We found that the lipid distribution is homogenous and uniform in the lamellar and hexagonal phases. But in the distorted hexagonal phase, the lipid monolayer has nonuniform curvature, and cholesterol almost entirely concentrates in the high curvature region. This finding demonstrates that the association energies between lipid molecules vary with the curvature of membrane. Thus, lipid components in a mixture may redistribute under conditions of nonuniform curvature, such as in the stalk structure. In such cases, the spontaneous curvature depends on the local lipid composition and the free energy minimum is determined by lipid distribution as well as curvature.« less

Rare earth indates (RE: La-Yb): influence of the synthesis route and heat treatment on the crystal structure.

PubMed

Shukla, Rakesh; Grover, Vinita; Srinivasu, Kancharlapalli; Paul, Barnita; Roy, Anushree; Gupta, Ruma; Tyagi, Avesh Kumar

2018-05-15

Rare earth indates are an interesting class of compounds with rich crystallography. The present study explores the crystallographic phases observed in REInO3 (RE: La-Yb) systems and their dependence on synthesis routes and annealing temperature. All REInO3 compositions were synthesized by a solid state route as well as gel-combustion synthesis (GC) followed by annealing at different temperatures. The systems were well characterized by powder XRD studies and were analysed by Rietveld refinement for the structural parameters. The cell parameters were observed to decrease in accordance with the trend in ionic radii on proceeding from lighter to heavier rare earth ions. Interestingly, the synthesis route and the annealing temperature had a profound bearing on the phase relationships observed in the REInO3 series. The solid state synthesized samples depicted an orthorhombic phase (Pbnm) field for LaInO3 to SmInO3, followed by a hexagonal-type phase (P63cm) for GdInO3 to DyInO3. However, the phase field distribution was greatly influenced upon employing gel-combustion (GC) wherein both single-phasic hexagonal and orthorhombic phase fields were found to shrink. Annealing the GC-synthesized compositions to still higher temperatures (1250 °C) further evolved the phase boundaries. An important outcome of the study is observance of polymorphism in SmInO3 which crystallized in the hexagonal phase when synthesized by GC and orthorhombic phase by solid state synthesis. This reveals the all-important role played by synthesis conditions. The existence and energetics of the two polymorphs have been elucidated and discussed with the aid of theoretical studies.

Epitaxial Garnets and Hexagonal Ferrites.

DTIC Science & Technology

1982-04-20

goenv.o -,y la)ers were YIG (yttrium iron garnet ) films grown by liquid phase epitaxy w:* ( LPE ) on gadolinium gallium garnet (GGG) substrates. Magnetic...containing three epitaxial layers. In addition to the MSW work oil garnets , LPE of lithium ferrite and hexagonal fertites was studied. A substituted lead...of a stripline. The other layers are epitaxial films , generally YIG (yttrium iron garnet ) with magnetic properties adjusted by suitable modifications

Structural phase transition in monolayer MoTe2 driven by electrostatic doping

NASA Astrophysics Data System (ADS)

Wang, Ying; Xiao, Jun; Zhu, Hanyu; Li, Yao; Alsaid, Yousif; Fong, King Yan; Zhou, Yao; Wang, Siqi; Shi, Wu; Wang, Yuan; Zettl, Alex; Reed, Evan J.; Zhang, Xiang

2017-10-01

Monolayers of transition-metal dichalcogenides (TMDs) exhibit numerous crystal phases with distinct structures, symmetries and physical properties. Exploring the physics of transitions between these different structural phases in two dimensions may provide a means of switching material properties, with implications for potential applications. Structural phase transitions in TMDs have so far been induced by thermal or chemical means; purely electrostatic control over crystal phases through electrostatic doping was recently proposed as a theoretical possibility, but has not yet been realized. Here we report the experimental demonstration of an electrostatic-doping-driven phase transition between the hexagonal and monoclinic phases of monolayer molybdenum ditelluride (MoTe2). We find that the phase transition shows a hysteretic loop in Raman spectra, and can be reversed by increasing or decreasing the gate voltage. We also combine second-harmonic generation spectroscopy with polarization-resolved Raman spectroscopy to show that the induced monoclinic phase preserves the crystal orientation of the original hexagonal phase. Moreover, this structural phase transition occurs simultaneously across the whole sample. This electrostatic-doping control of structural phase transition opens up new possibilities for developing phase-change devices based on atomically thin membranes.

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory.

PubMed

Gupta, Satyendra Nath; Singh, Anjali; Pal, Koushik; Muthu, D V S; Shekhar, C; Elghazali, Moaz A; Naumov, Pavel G; Medvedev, Sergey A; Felser, C; Waghmare, U V; Sood, A K

2018-05-10

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at [Formula: see text] GPa for NbAs and [Formula: see text] GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at [Formula: see text] for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at [Formula: see text] for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

High quality factor whispering gallery modes from self-assembled hexagonal GaN rods grown by metal-organic vapor phase epitaxy.

PubMed

Tessarek, C; Sarau, G; Kiometzis, M; Christiansen, S

2013-02-11

Self-assembled GaN rods were grown on sapphire by metal-organic vapor phase epitaxy using a simple two-step method that relies first on a nitridation step followed by GaN epitaxy. The mask-free rods formed without any additional catalyst. Most of the vertically aligned rods exhibit a regular hexagonal shape with sharp edges and smooth sidewall facets. Cathodo- and microphotoluminescence investigations were carried out on single GaN rods. Whispering gallery modes with quality factors greater than 4000 were measured demonstrating the high morphological and optical quality of the self-assembled GaN rods.

Growth of Ferromagnetic Epitaxial Film of Hexagonal FeGe on (111) Ge Surface

NASA Astrophysics Data System (ADS)

Kumar, Dushyant; Joshi, P. C.; Hossain, Z.; Budhani, R. C.

2014-03-01

The realization of semiconductors showing ferromagnetic order at easily accessible temperatures has been of interest due to their potential use in spintronic devices where long spin life times are of key interest. We have realized the growth of FeGe thin films on Ge (111) wafers using pulsed laser deposition (PLD). The stoichiometric and single phase FeGe target used in PLD chamber has been made by arc melting. A typical θ-2 θ diffraction spectra performed on 40 nm thick FeGe film suggests the stabilization of β-Ni2In (B82-type) hexagonal phase with an epitaxial orientation of (0001)FeGe ||(111)Ge and [11-20]FeGe ||[-110]Ge. SEM images shows a granular structure with the formation of very large grains of about 100 to 500 nm in lateral dimension. The magnetization vs. temperature data taken from SQUID reveal the TC of ~ 270K. Since, PLD technique makes it easier to stabilize the B82 (Ni2In) hexagonal phase in thin FeGe films, this work opens opportunities to reinvestigate many conflicting results on various properties of the FeGe system.

Long-term oxidization and phase transition of InN nanotextures

PubMed Central

2011-01-01

The long-term (6 months) oxidization of hcp-InN (wurtzite, InN-w) nanostructures (crystalline/amorphous) synthesized on Si [100] substrates is analyzed. The densely packed layers of InN-w nanostructures (5-40 nm) are shown to be oxidized by atmospheric oxygen via the formation of an intermediate amorphous In-Ox-Ny (indium oxynitride) phase to a final bi-phase hcp-InN/bcc-In2O3 nanotexture. High-resolution transmission electron microscopy, energy-dispersive X-ray spectroscopy, electron energy loss spectroscopy and selected area electron diffraction are used to identify amorphous In-Ox-Ny oxynitride phase. When the oxidized area exceeds the critical size of 5 nm, the amorphous In-Ox-Ny phase eventually undergoes phase transition via a slow chemical reaction of atomic oxygen with the indium atoms, forming a single bcc In2O3 phase. PMID:21711908

Fullerene-derivative PC61BM forms three types of phase-pure monolayer on the surface of Au(111)

NASA Astrophysics Data System (ADS)

Li, Wen-Jie; Du, Ying-Ying; Zhang, Han-Jie; Chen, Guang-Hua; Sheng, Chun-Qi; Wu, Rui; Wang, Jia-Ou; Qian, Hai-Jie; Ibrahim, Kurash; He, Pi-Mo; Li, Hong-Nian

2016-12-01

We have studied the packing structures of C60-derivative PC61BM on the surface of Au(111) in ultrahigh vacuum using scanning tunneling microscopy. The Au(111) has a triangle-like reconstructed surface, which results in some packing structures different from those reported for low coverages. PC61BM can form three types of phase-pure monolayer, namely, the compact straight molecular double-row monolayer, the hexagonal-packing monolayer and the glassy monolayer. The different types of monolayer form for different molecular densities and different annealing temperatures. In addition to the already known inter-molecular interactions (Van de Waals interaction and hydrogen bond), the steric effect of the phenyl-butyric-acid-methyl-ester side tail plays conspicuous role in the molecular self-assembly at high coverages. The steric effect makes it difficult to prepare a hexagonal-packing monolayer at room temperature and decides the instability of the hexagonal-packing monolayer prepared by thermal annealing.

Facile synthesis of Co3O4 hexagonal plates by flux method

NASA Astrophysics Data System (ADS)

Han, Ji-Long; Meng, Qing-Fen; Gao, Sheng-Li

2018-01-01

Using a novel flux method, a hexagonal plate of Co3O4 was directly synthesized. In this method, CoCl2·6H2O, NaOH, and the cosolvent H3BO3 were heated to 750 °C for 2 h in a corundum crucible. The products were characterized with X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), and high-resolution transmission electron microscope (HRTEM). Furthermore, XRD studies indicated that the product consisted of a cubic phase of Co3O4, and the phase existed in a completely crystalline form. Then, SEM results indicated that these hexagonal plates tiered up and they had diameters in the range of 2-10 μm. According to the results of SAED and HRTEM analyses, the interlayer spacing was about 0.24 nm, which corresponds to the interlayer distance of (3 1 1) crystal plane of cubic Co3O4.

Nanoindentation hardness and atomic force microscope imaging studies of pressure-quenched zirconium metal

NASA Astrophysics Data System (ADS)

Catledge, Shane A.; Spencer, Philemon T.; Vohra, Yogesh K.

2000-11-01

We have carried out mechanical property measurements on zirconium metal compressed in a diamond anvil cell to 19 GPa at room temperature with subsequent quenching to room pressure. The irreversible transformation from the ambient hexagonal-close-packed phase to the simple hexagonal ω phase (AlB2 structure) is confirmed by synchrotron energy dispersive x-ray diffraction followed by nanoindentation of the pressure-quenched sample. We document an 80% increase in hardness as a consequence of the pressure-induced transformation to the ω phase at room temperature. This is a large increase for a metallic phase transformation and can be attributed to the presence of sp2-hybrid bonds forming graphite-like nets in the (0001) plane of the AlB2 structure. Atomic force microscopy of the indents shows that a plastic deformation of 2 μm in depth was achieved with a force of 200 mN.

Raman Scattering Study of the Soft Phonon Mode in the Hexagonal Ferroelectric Crystal KNiCl 3

NASA Astrophysics Data System (ADS)

Machida, Ken-ichi; Kato, Tetsuya; Chao, Peng; Iio, Katsunori

1997-10-01

Raman spectra of some phonon modes of the hexagonal ferroelectriccrystal KNiCl3are obtained in the temperature range between 290 K and 590 K, which includes the structural phase transition point T2(=561 K) at which previous measurements of dielectric constant and spontaneouspolarization as a function of temperature had shown that KNiCl3 undergoes a transition between polar phases II and III. An optical birefringence measurement carried outas a complement to the present Raman scattering revealed that this transition is of second order. Towards this transition point, the totally symmetric phonon mode with the lowest frequency observed in the room-temperature phasewas found to soften with increasing temperature.The present results provide new information on the phase-transitionmechanism and the space groups of thehigher (II)- and lower (III)-symmetric phases around T2.

Transitions induced by solubilized fat into reverse hexagonal mesophases.

PubMed

Amar-Yuli, Idit; Garti, Nissim

2005-06-25

Lyotropic liquid crystals of glycerol monooleate (GMO) and water binary mixtures have been extensively studied and their resemblance to human membranes has intrigued many scientists. Biological systems as well as food mixtures are composed of lipids and fat components including triacylglycerols (TAGs, triglycerides) that can affect the nature of the assembly of the mesophase. The present study examines the effect of TAGs of different chain lengths (C(2)-C(18)) at various water/GMO compositions, on phase transitions from lamellar or cubic to reverse hexagonal (L(alpha)-H(II) and Q-H(II)). The ability of the triglycerides to promote the formation of an H(II) mesophase is chain length-dependent. It was found that TAG molecules with very short acyl chains (triacetin) can hydrate the head groups of the lipid and do not affect the critical packing parameter (CPP) of the amphiphile; therefore, they do not affect the self-assembly of the GMO in water, and the mesophase remains lamellar or cubic. However, TAGs with medium chain fatty acids will solvate the tails of the lipid, and will affect the CPP of the GMO, and transform the lamellar or cubic phases into hexagonal mesophase. TAGs with long chain fatty acids are very bulky, not very miscible with the GMO, and therefore, kinetically are very slow to solvate the lipid tails of the amphiphile and are difficult to accommodate into the lipophilic parts of the GMO. Their effect on the transitions from a lamellar or cubic phase to hexagonal is detected only after months of equilibration. In order to enhance the effect of the TAG on the phase transitions in the GMO/triglyceride/water systems, temperature and electrolytes effects were examined. In the presence of short and medium chain triglycerides, increasing temperature caused a transition from lamellar or hexagonal to L(2) phase (highest CPP value). However, in the presence of long chain TAGs, increasing temperature to ca. 40 degrees C caused a formation of H(II) mesophase. In addition, it was found that in tricaprylin/GMO/water systems, the increase in temperature caused a decrease in the lattice parameter. The effect of NaCl on the H(II) mesophase revealed interesting results. At low concentration of tricaprylin (5 wt%), the addition of only 0.1 wt% of NaCl was sufficient to cause the formation of well-defined H(II) mesophase, while further addition of electrolyte increased the hexagonal lattice parameters. At higher TAGs concentrations (10 wt%), addition of electrolyte resulted in the formation of H(II) with modifications of the lattice parameter. All the examined effects were more pronounced with increasing water content.

Ion channeling studies on mixed phases formed in metalorganic chemical vapor deposition grown Mg-doped GaN on Al2O3(0001)

NASA Astrophysics Data System (ADS)

Sundaravel, B.; Luo, E. Z.; Xu, J. B.; Wilson, I. H.; Fong, W. K.; Wang, L. S.; Surya, C.

2000-01-01

Rutherford backscattering spectrometry and ion channeling were used to determine the relative quantities of wurtzite and zinc-blende phases in metalorganic chemical vapor deposition grown Mg-doped GaN(0001) on an Al2O3(0001) substrate with a GaN buffer layer. Offnormal axial channeling scans were used. High-resolution x-ray diffraction measurements also confirmed the presence of mixed phases. The in-plane orientation was found to be GaN[11¯0]‖GaN[112¯0]‖Al2O3[112¯0]. The effects of rapid thermal annealing on the relative phase content, thickness and crystalline quality of the GaN epilayer were also studied.

Time- and Space-Resolved SAXS Experiments Inform on Phase Transition Kinetics in Hydrated, Liquid-Crystalline Films of Polyion-Surfactant Ion "Complex Salts".

PubMed

Li, Joaquim; Gustavsson, Charlotte; Piculell, Lennart

2016-05-24

Detailed time- and space-resolved SAXS experiments show the variation with hydration of liquid crystalline structures in ethanol-cast 5-80 μm thick films of polyion-surfactant ion "complex salts" (CS). The CS were dodecyl- (C12) or hexadecyl- (C16) trimethylammonium surfactants with polyacrylate (DP 25 or 6000) counter-polyions. The experiments were carried out on vertical films in humid air above a movable water bath, so that gradients of hydration were generated, which could rapidly be altered. Scans over different positions along a film, kept fixed relative to the bath, showed that the surfactant aggregates of the various liquid-crystalline CS structures grow in cross-sectional area with decreasing hydration. This behavior is attributed to the low water content. Studies of films undergoing rapid dehydration, made possible by the original experimental setup, gave strong evidence that some of the investigated systems remain kinetically trapped for minutes in a nonequilibrium Pm3n micellar cubic phase before switching to the equilibrium P6mm 2D hexagonal phase. Both the length of the polyion and the length of the surfactant hydrocarbon "tail" affect the kinetics of the phase transition. The slowness of the cubic-to-hexagonal structural transition is attributed to the fact that it requires major rearrangements of the polyions and surfactant ions relative to each other. By contrast, other structure changes, such as between the hexagonal and rectangular phases, were observed to occur much more rapidly.

Hydrophobic nanoparticles promote lamellar to inverted hexagonal transition in phospholipid mesophases.

PubMed

Bulpett, Jennifer M; Snow, Tim; Quignon, Benoit; Beddoes, Charlotte M; Tang, T-Y D; Mann, Stephen; Shebanova, Olga; Pizzey, Claire L; Terrill, Nicholas J; Davis, Sean A; Briscoe, Wuge H

2015-12-07

This study focuses on how the mesophase transition behaviour of the phospholipid dioleoyl phosphatidylethanolamine (DOPE) is altered by the presence of 10 nm hydrophobic and 14 nm hydrophilic silica nanoparticles (NPs) at different concentrations. The lamellar to inverted hexagonal phase transition (Lα-HII) of phospholipids is energetically analogous to the membrane fusion process, therefore understanding the Lα-HII transition with nanoparticulate additives is relevant to how membrane fusion may be affected by these additives, in this case the silica NPs. The overriding observation is that the HII/Lα boundaries in the DOPE p-T phase diagram were shifted by the presence of NPs: the hydrophobic NPs enlarged the HII phase region and thus encouraged the inverted hexagonal (HII) phase to occur at lower temperatures, whilst hydrophilic NPs appeared to stabilise the Lα phase region. This effect was also NP-concentration dependent, with a more pronounced effect for higher concentration of the hydrophobic NPs, but the trend was less clear cut for the hydrophilic NPs. There was no evidence that the NPs were intercalated into the mesophases, and as such it was likely that they might have undergone microphase separation and resided at the mesophase domain boundaries. Whilst the loci and exact roles of the NPs invite further investigation, we tentatively discuss these results in terms of both the surface chemistry of the NPs and the effect of their curvature on the elastic bending energy considerations during the mesophase transition.

Stabilizing the hexagonal close packed structure of hard spheres with polymers: Phase diagram, structure, and dynamics

NASA Astrophysics Data System (ADS)

Edison, John R.; Dasgupta, Tonnishtha; Dijkstra, Marjolein

2016-08-01

We study the phase behaviour of a binary mixture of colloidal hard spheres and freely jointed chains of beads using Monte Carlo simulations. Recently Panagiotopoulos and co-workers predicted [Nat. Commun. 5, 4472 (2014)] that the hexagonal close packed (HCP) structure of hard spheres can be stabilized in such a mixture due to the interplay between polymer and the void structure in the crystal phase. Their predictions were based on estimates of the free-energy penalty for adding a single hard polymer chain in the HCP and the competing face centered cubic (FCC) phase. Here we calculate the phase diagram using free-energy calculations of the full binary mixture and find a broad fluid-solid coexistence region and a metastable gas-liquid coexistence region. For the colloid-monomer size ratio considered in this work, we find that the HCP phase is only stable in a small window at relatively high polymer reservoir packing fractions, where the coexisting HCP phase is nearly close packed. Additionally we investigate the structure and dynamic behaviour of these mixtures.

Effects of lattice parameters on piezoelectric constants in wurtzite materials: A theoretical study using first-principles and statistical-learning methods

NASA Astrophysics Data System (ADS)

Momida, Hiroyoshi; Oguchi, Tamio

2018-04-01

Longitudinal piezoelectric constant (e 33) values of wurtzite materials, which are listed in a structure database, are calculated and analyzed by using first-principles and statistical learning methods. It is theoretically shown that wurtzite materials with high e 33 generally have small lattice constant ratios (c/a) almost independent of constituent elements, and approximately expressed as e 33 ∝ c/a - (c/a)0 with ideal lattice constant ratio (c/a)0. This relation also holds for highly-piezoelectric ternary materials such as Sc x Al1- x N. We conducted a search for high-piezoelectric wurtzite materials by identifying materials with smaller c/a values. It is proposed that the piezoelectricity of ZnO can be significantly enhanced by substitutions of Zn with Ca.

Size-tunable and monodisperse Tm³⁺/Gd³⁺-doped hexagonal NaYbF₄ nanoparticles with engineered efficient near infrared-to-near infrared upconversion for in vivo imaging.

PubMed

Damasco, Jossana A; Chen, Guanying; Shao, Wei; Ågren, Hans; Huang, Haoyuan; Song, Wentao; Lovell, Jonathan F; Prasad, Paras N

2014-08-27

Hexagonal NaYbF4:Tm(3+) upconversion nanoparticles hold promise for use in high contrast near-infrared-to-near-infrared (NIR-to-NIR) in vitro and in vivo bioimaging. However, significant hurdles remain in their preparation and control of their morphology and size, as well as in enhancement of their upconversion efficiency. Here, we describe a systematic approach to produce highly controlled hexagonal NaYbF4:Tm(3+) nanoparticles with superior upconversion. We found that doping appropriate concentrations of trivalent gadolinium (Gd(3+)) can convert NaYbF4:Tm(3+) 0.5% nanoparticles with cubic phase and irregular shape into highly monodisperse NaYbF4:Tm(3+) 0.5% nanoplates or nanospheres in a pure hexagonal-phase and of tunable size. The intensity and the lifetime of the upconverted NIR luminescence at 800 nm exhibit a direct dependence on the size distribution of the resulting nanoparticles, being ascribed to the varied surface-to-volume ratios determined by the different nanoparticle size. Epitaxial growth of a thin NaYF4 shell layer of ∼2 nm on the ∼22 nm core of hexagonal NaYbF4:Gd(3+) 30%/Tm(3+) 0.5% nanoparticles resulted in a dramatic 350 fold NIR upconversion efficiency enhancement, because of effective suppression of surface-related quenching mechanisms. In vivo NIR-to-NIR upconversion imaging was demonstrated using a dispersion of phospholipid-polyethylene glycol (DSPE-PEG)-coated core/shell nanoparticles in phosphate buffered saline.

Size-Tunable and Monodisperse Tm3+/Gd3+-Doped Hexagonal NaYbF4 Nanoparticles with Engineered Efficient Near Infrared-to-Near Infrared Upconversion for In Vivo Imaging

PubMed Central

2015-01-01

Hexagonal NaYbF4:Tm3+ upconversion nanoparticles hold promise for use in high contrast near-infrared-to-near-infrared (NIR-to-NIR) in vitro and in vivo bioimaging. However, significant hurdles remain in their preparation and control of their morphology and size, as well as in enhancement of their upconversion efficiency. Here, we describe a systematic approach to produce highly controlled hexagonal NaYbF4:Tm3+ nanoparticles with superior upconversion. We found that doping appropriate concentrations of trivalent gadolinium (Gd3+) can convert NaYbF4:Tm3+ 0.5% nanoparticles with cubic phase and irregular shape into highly monodisperse NaYbF4:Tm3+ 0.5% nanoplates or nanospheres in a pure hexagonal-phase and of tunable size. The intensity and the lifetime of the upconverted NIR luminescence at 800 nm exhibit a direct dependence on the size distribution of the resulting nanoparticles, being ascribed to the varied surface-to-volume ratios determined by the different nanoparticle size. Epitaxial growth of a thin NaYF4 shell layer of ∼2 nm on the ∼22 nm core of hexagonal NaYbF4:Gd3+ 30%/Tm3+ 0.5% nanoparticles resulted in a dramatic 350 fold NIR upconversion efficiency enhancement, because of effective suppression of surface-related quenching mechanisms. In vivo NIR-to-NIR upconversion imaging was demonstrated using a dispersion of phospholipid-polyethylene glycol (DSPE-PEG)-coated core/shell nanoparticles in phosphate buffered saline. PMID:25027118

Preparation of novel layer-stack hexagonal CdO micro-rods by a pre-oxidation and subsequent evaporation process

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

Peng, Kun, E-mail: kpeng@hnu.edu.cn; Hunan Province Key Laboratory for Spray Deposition Technology and Application, Hunan University, Changsha 410082; Jiang, Pan

2014-12-15

Graphical abstract: Layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared. - Highlights: • Novel hexagonal layer-stack structure CdO micro-rods were synthesized by a thermal evaporation method. • The pre-oxidation, vapor pressure and substrate nature play a key role on the formation of CdO rods. • The formation mechanism of CdO micro-rods was explained. - Abstract: Novel layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared by pre-oxidizing Cd granules and subsequent thermal oxidation under normal atmospheric pressure. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were performed to characterize the phase structure and microstructure. The pre-oxidation process, vapor pressure and substratemore » nature were the key factors for the formation of CdO micro-rods. The diameter of micro-rod and surface rough increased with increasing of thermal evaporation temperature, the length of micro-rod increased with the increasing of evaporation time. The formation of hexagonal layer-stack structure was explained by a vapor–solid mechanism.« less

An orthogonal oriented quadrature hexagonal image pyramid

NASA Technical Reports Server (NTRS)

Watson, Andrew B.; Ahumada, Albert J., Jr.

1987-01-01

An image pyramid has been developed with basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The pyramid operates on a hexagonal sample lattice. The set of seven basis functions consist of three even high-pass kernels, three odd high-pass kernels, and one low-pass kernel. The three even kernels are identified when rotated by 60 or 120 deg, and likewise for the odd. The seven basis functions occupy a point and a hexagon of six nearest neighbors on a hexagonal sample lattice. At the lowest level of the pyramid, the input lattice is the image sample lattice. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing sq rt 7 larger than the previous level, so that the number of coefficients is reduced by a factor of 7 at each level. The relationship between this image code and the processing architecture of the primate visual cortex is discussed.

Environmentally friendly gamma-MnO2 hexagon-based nanoarchitectures: structural understanding and their energy-saving applications.

PubMed

Wu, Changzheng; Xie, Wei; Zhang, Miao; Bai, Liangfei; Yang, Jinlong; Xie, Yi

2009-01-01

Although about 200,000 metric tons of gamma-MnO(2) are used annually worldwide for industrial applications, the gamma-MnO(2) structure is still known to possess a highly ambiguous crystal lattice. To better understand the gamma-MnO(2) atomic structure, hexagon-based nanoarchitectures were successfully synthesized and used to elucidate its internal structure for the present work. The structural analysis results, obtained from the hexagon-based nanoarchitectures, clearly show the coexistence of akhtenskite (epsilon-MnO(2)), pyrolusite (beta-MnO(2)), and ramsdellite in the so-called gamma-MnO(2) phase and verified the heterogeneous phase assembly of the gamma-MnO(2) state, which violates the well-known "De Wolff" model and derivative models, but partially accords with Heuer's results. Furthermore, heterogeneous gamma-MnO(2) assembly was found to be a metastable structure under hydrothermal conditions, and the individual components of the heterogeneous gamma-MnO(2) system have structural similarities and a high lattice matches with pyrolusite (beta-MnO(2)). The as-obtained gamma-MnO(2) nanoarchitectures are nontoxic and environmentally friendly, and the application of such nanoarchitectures as support matrices successfully mitigates the common problems for phase-change materials of inorganic salts, such as phase separation and supercooling-effects, thereby showing prospect in energy-saving applications in future "smart-house" systems.

Additives and solvents-induced phase and morphology modification of NaYF{sub 4} for improving up-conversion emission

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

Zhuang, Jianle, E-mail: zhuangjianle@126.com; MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275; Yang, Xianfeng

Both cubic and hexagonal NaYF{sub 4} were synthesized in different reaction systems via hydro/solvo-thermal route. The effects of reaction temperature, solvents, and additives on the synthesis of NaYF{sub 4} have been studied in detail. It has been shown that phase transformation from cubic NaYF{sub 4} to hexagonal NaYF{sub 4} always occurred. The sequence of the ability for inducing the phase transformation was ethanol>H{sub 2}O>acetic acid. It is found that ethanol can not only facilitate the formation of hexagonal NaYF{sub 4} but also control the growth of the crystal. This is quite unusual for the growth of H-NaYF{sub 4}. The up-conversionmore » emission properties of Yb/Er co-doped NaYF{sub 4} have also been investigated and the results demonstrated some general principles for improving up-conversion emission. - Graphical abstract: Additives and solvents can induce the phase transformation of NaYF{sub 4}, typically the use of organic sodium salt and ethanol. - Highlights: • The effect of additives and solvents on the synthesis of NaYF{sub 4} was studied in detail. • Ethanol can facilitate the formation of H-NaYF{sub 4} while acetic acid restrain it. • Three general principles for improving up-conversion emission were summarized.« less

Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].

PubMed

Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen

2015-06-21

A new organic-inorganic hexagonal perovskite-type compound with the formula ABX3, thiazolium tribromocadmate(ii) (1), in which thiazolium cations are situated in the space between the one-dimensional chains of face-sharing CdBr(6) octahedra, has been successfully synthesized. Systematic characterizations including differential scanning calorimetry measurements, variable-temperature structural analyses, and dielectric measurements reveal that it undergoes two structural phase transitions, at 180 and 146 K. These phase transitions are accompanied by remarkable dielectric relaxation and anisotropy. The thiazolium cations remain orientationally disordered during the two phase transition processes. The origins of the phase transitions at 180 and 146 K are ascribed to the slowing down and reorientation of the molecular motions of the cations, respectively. Moreover, the dielectric relaxation process well described by the Cole-Cole equation and the prominent dielectric anisotropy are also connected with the dynamics of the dipolar thiazolium cations.

First principles study of structural stability, electronic structure and mechanical properties of ReN and TcN

NASA Astrophysics Data System (ADS)

Rajeswarapalanichamy, R.; Kavitha, M.; Sudha Priyanga, G.; Iyakutti, K.

2015-03-01

The crystal structure, structural stability, electronic and mechanical properties of ReN and TcN are investigated using first principles calculations. We have considered five different crystal structures: NaCl, zinc blende (ZB), NiAs, tungsten carbide (WC) and wurtzite (WZ). Among these ZB phase is found to be the lowest energy phase for ReN and TcN at normal pressure. Pressure induced structural phase transitions from ZB to WZ phase at 214 GPa in ReN and ZB to NiAs phase at 171 GPa in TcN are predicted. The electronic structure reveals that both ReN and TcN are metallic in nature. The computed elastic constants indicate that both the nitrides are mechanically stable. As ReN in NiAs phase has high bulk and shear moduli and low Poisson's ratio, it is found to be a potential ultra incompressible super hard material.

Air separation and oxygen storage properties of hexagonal rare-earth manganites

NASA Astrophysics Data System (ADS)

Abughayada, Castro

This dissertation presents evaluation results of hexagonal Y1-x RxMnO3+delta (R = Er, Y, Dy, Pr, La, Tb and Ho) rare-earth manganites for prospective air separation applications. In these materials, oxygen content is sensitively dependent on the surrounding conditions of temperature and/or oxygen partial pressure, and therefore they exhibit the ability to selectively absorb, store, and release significant amounts of separated oxygen from air. This study presents a full characterization of their thermogravimetric characteristics and air separation capabilities. With the expected potential impact of oxygen content on the physical properties of these materials, the scope of this work is expanded to explore other relevant properties such as magnetic, transport, and dilatometric characteristics. Single-phase polycrystalline samples of these materials were achieved in the hexagonal P63cm phase through solid state reaction at elevated temperatures. Further annealings under reducing conditions were required for samples with large rare-earth cations in order to suppress the competing perovskite structure and form in the anticipated hexagonal phase. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger R ionic radii show rapid and reversible incorporation of significant amounts of excess oxygen (0.41 > delta > 0) at an unusual low temperature range ~190-325 °C. The reversible oxygen storage characteristics of HoMnO3+delta and related materials shown by the fast incorporation and release of interstitial oxygen at easily accessible elevated temperatures of ~300 °C demonstrate the feasibility and potential for low-cost thermal swing adsorption TSA process for oxygen separation and enrichment from air. Neutron and X-ray powder diffraction measurements confirmed the presence of three line compounds RMnO3+delta, the oxygen stoichiometric P6 3cm (delta = 0 for all R), the intermediate oxygen content superstructure phase R3c (delta ~ 0.28 for R = Ho, Dy, Dy0.5Y0.5, and Dy0.3Y0.7) constructed by tripling the c-axis of the original unit cell, and the highly oxygen-loaded Pca21 phase (delta = 0.40 for all R). In-situ synchrotron diffraction showed thermal stability of these single phases and their coexistence ranges, demonstrating that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. The magnetic properties of the multiferroic RMnO3+delta were found to be dependent on the oxygen content of these compounds. Below the magnetic ordering temperatures, samples with higher oxygen content showed slightly decreased magnetization relative to the less oxygenated ones. Dilatometry measurements suggest that the thermal expansion coefficient TEC of the oxygen-loaded Pca21 phase is slightly larger than that of the stoichiometric P63cm phase. The calculated Pca21 to P63cm chemical expansion coefficient 14.38 x 10-3 [mole-O]-1 was found to be within the expected range for the hexagonal Y0.97La0.03MnO3+delta sample.

Growth kinetics of O-polar BexMgyZn1-x-yO alloy: Role of Zn to Be and Mg flux ratio as a guide to growth at high temperature

NASA Astrophysics Data System (ADS)

Ullah, M. B.; Avrutin, V.; Nakagawara, T.; Hafiz, S.; Altuntaş, I.; Özgür, Ü.; Morkoç, H.

2017-05-01

We studied the effect of the substrate temperature, in the range from 450 °C to 500 °C, on the required Zn to (Be + Mg) flux ratio for plasma-assisted molecular beam epitaxy growth of O-polar BexMgyZn1-x-yO on (0001)-GaN/sapphire templates. Achievement of single-crystalline BexMgyZn1-x-yO with improved optical and structural qualities required relatively high substrate temperatures, which necessitated the Zn to (Be + Mg) flux ratio to be increased from 3.9 at 450 °C to 8.3 at 500 °C. This resulted in a reduction of Mg incorporation from 25% to 15% for a fixed Be content of ˜3%. With increasing Zn to (Be + Mg) ratio, 15 K photoluminescence energy for the dominant emission remained unchanged at around 3.75 eV and 3.55 eV for the samples grown at 475 °C and 500 °C, respectively. These findings readily suggest a kinetic limitation of Mg and Be incorporation into wurtzite BexMgyZn1-x-yO lattice, resulting in the formation of second phase due mainly to the enhanced surface mobility of Mg adatoms and, therefore, an increase in the probability of the formation of Mg-rich clusters. An increase in the in-plane lattice parameter, deduced from the Reflection High Energy Electron Diffraction, at the onset of the phase segregation suggests the formation of the wurtzite phase MgO rich alloy(s).

Epitaxial Garnets and Hexagonal Ferrites.

DTIC Science & Technology

1983-12-01

operating at frequencies between 1 GHz and 25 GHz. 2. Investigate LPE growth of lithium ferrite with the objective of preparing low-loss, large area films ...and hexagonal ferrites when the series of contracts began in 1975. At that time the liquid phase epitaxy method for growth of magnetic garnet films ...principal interest in epitaxial garnets was for magnetic bubble memories. For this Uapplication the films had to be about 3pm thick with low defect density

Epitaxial Garnets and Hexagonal Ferrites.

DTIC Science & Technology

1980-02-28

shaped LPE garnet samples with 31.5um film thickness. We were informed that initial evalu- ation showed acceptably low insertion loss and that the material...frequencies above 25 GHz. c. Furnish up to eight (8) liquid phase epitaxy yttrium iron garnet films to RADC/EEA for testing and evaluation. These tasks...a "Method for Controlling Resonance Frequency of Yttrium Iron Garnet Films ." A patent, "Epitaxial Growth of M-type Hexagonal Ferrite Films on Spinel

Effect of fatty acids on self-assembly of soybean lecithin systems.

PubMed

Godoy, C A; Valiente, M; Pons, R; Montalvo, G

2015-07-01

With the increasing interest in natural formulations for drug administration and functional foods, it is desirable a good knowledge of the phase behavior of lecithin/fatty acid formulations. Phase structure and properties of ternary lecithin/fatty acids/water systems are studied at 37°C, making emphasis in regions with relatively low water and fatty acid content. The effect of fatty acid saturation degree on the phase microstructure is studied by comparing a fully saturated (palmitic acid, C16:0), monounsaturated (oleic acid, C18:1), and diunsaturated (linoleic acid, C18:2) fatty acids. Phase determinations are based on a combination of polarized light microscopy and small-angle X-ray scattering measurements. Interestingly, unsaturated (oleic acid and linoleic acid) fatty acid destabilizes the lamellar bilayer. Slight differences are observed between the phase diagrams produced by the unsaturated ones: small lamellar, medium cubic and large hexagonal regions. A narrow isotropic fluid region also appears on the lecithin-fatty acid axis, up to 8wt% water. In contrast, a marked difference in phase microsctructure was observed between unsaturated and saturated systems in which the cubic and isotropic fluid phases are not formed. These differences are, probably, a consequence of the high Krafft point of the C16 saturated chains that imply rather rigid chains. However, unsaturated fatty acids result in more flexible tails. The frequent presence of, at least, one unsaturated chain in phospholipids makes it very likely a better mixing situation than in the case of more rigid chains. This swelling potential favors the formation of reverse hexagonal, cubic, and micellar phases. Both unsaturated fatty acid systems evolve by aging, with a reduction of the extension of reverse hexagonal phase and migration of the cubic phase to lower fatty acid and water contents. The kinetic stability of the systems seems to be controlled by the unsaturation of fatty acids. Copyright © 2015 Elsevier B.V. All rights reserved.

High-entropy alloys in hexagonal close-packed structure

DOE PAGES

Gao, Michael C.; Zhang, B.; Guo, S. M.; ...

2015-08-28

The microstructures and properties of high-entropy alloys (HEAs) based on the face-centered cubic and body-centered cubic structures have been studied extensively in the literature, but reports on HEAs in the hexagonal close-packed (HCP) structure are very limited. Using an efficient strategy in combining phase diagram inspection, CALPHAD modeling, and ab initio molecular dynamics simulations, a variety of new compositions are suggested that may hold great potentials in forming single-phase HCP HEAs that comprise rare earth elements and transition metals, respectively. Lastly, experimental verification was carried out on CoFeReRu and CoReRuV using X-ray diffraction, scanning electron microscopy, and energy dispersion spectroscopy.

Interface amorphization in hexagonal boron nitride films on sapphire substrate grown by metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Yang, Xu; Nitta, Shugo; Pristovsek, Markus; Liu, Yuhuai; Nagamatsu, Kentaro; Kushimoto, Maki; Honda, Yoshio; Amano, Hiroshi

2018-05-01

Hexagonal boron nitride (h-BN) films directly grown on c-plane sapphire substrates by pulsed-mode metalorganic vapor phase epitaxy exhibit an interlayer for growth temperatures above 1200 °C. Cross-sectional transmission electron microscopy shows that this interlayer is amorphous, while the crystalline h-BN layer above has a distinct orientational relationship with the sapphire substrate. Electron energy loss spectroscopy shows the energy-loss peaks of B and N in both the amorphous interlayer and the overlying crystalline h-BN layer, while Al and O signals are also seen in the amorphous interlayer. Thus, the interlayer forms during h-BN growth through the decomposition of the sapphire at elevated temperatures.

Fabrication of high-density In3Sb1Te2 phase change nanoarray on glass-fabric reinforced flexible substrate

NASA Astrophysics Data System (ADS)

Yoon, Jong Moon; Shin, Dong Ok; Yin, You; Seo, Hyeon Kook; Kim, Daewoon; In Kim, Yong; Jin, Jung Ho; Kim, Yong Tae; Bae, Byeong-Soo; Ouk Kim, Sang; Lee, Jeong Yong

2012-06-01

Mushroom-shaped phase change memory (PCM) consisting of a Cr/In3Sb1Te2 (IST)/TiN (bottom electrode) nanoarray was fabricated via block copolymer lithography and single-step dry etching with a gas mixture of Ar/Cl2. The process was performed on a high performance transparent glass-fabric reinforced composite film (GFR Hybrimer) suitable for use as a novel substrate for flexible devices. The use of GFR Hybrimer with low thermal expansion and flat surfaces enabled successful nanoscale patterning of functional phase change materials on flexible substrates. Block copolymer lithography employing asymmetrical block copolymer blends with hexagonal cylindrical self-assembled morphologies resulted in the creation of hexagonal nanoscale PCM cell arrays with an areal density of approximately 176 Gb/in2.

Achieving Continuous Anion Transport Domains Using Block Copolymers Containing Phosphonium Cations

DOE PAGES

Zhang, Wenxu; Liu, Ye; Jackson, Aaron C.; ...

2016-06-22

Triblock and diblock copolymers based on isoprene (Ip) and chloromethylstyrene (CMS) were synthesized in this paper by sequential polymerization using reversible addition–fragmentation chain transfer radical polymerization (RAFT). The block copolymers were quaternized with tris(2,4,6-trimethoxyphenyl)phosphine (Ar 3P) to prepare soluble ionomers. The ionomers were cast from chloroform to form anion exchange membranes (AEMs) with highly ordered morphologies. At low volume fractions of ionic blocks, the ionomers formed lamellar morphologies, while at moderate volume fractions (≥30% for triblock and ≥22% for diblock copolymers) hexagonal phases with an ionic matrix were observed. Ion conductivities were higher through the hexagonal phase matrix than inmore » the lamellar phases. Finally, promising chloride conductivities (20 mS/cm) were achieved at elevated temperatures and humidified conditions.« less

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

Optical nonlinearity of CdSe-PMMA hybrid nanocomposite investigated via Z-scan technique and semi-empirical relations

NASA Astrophysics Data System (ADS)

Kaur, Ramneek; Tripathi, S. K.

2016-04-01

CdSe-PMMA nanocomposite has been synthesized by ex-situ technique. The effect of different Ag doping concentrations on its structural and optical properties has been studied. X-ray diffraction reveals the hexagonal wurtzite structure of the polymer nanocomposites with preferential growth of the nanocrystals along (1 0 0) direction. Transmission electron micrograph shows the spherical CdSe nanoparticles embedded in polymer matrix. The nonlinear refractive index of the nanocomposites has been calculated using Tichy & Ticha semi-empirical relations and Z-scan technique. Z-scan results disclose the two photon absorption process in the hybrid nanocomposites with self focussing behaviour. With Ag doping, the nonlinearity is found to be increased up to 0.2% Ag doping concentration due to the confined effect of Surface Plasmon, Quantum confinement and thermal lensing. Above 0.2% Ag concentration, its value decreases due to the declined linear refractive index of the nanocomposites. Maximum two photon figure of merit is 76 for 0.2% Ag doped CdSe-PMMA hybrid nanocomposite. The present results accentuate the possibility of tuning the optical non-linearity of CdSe-PMMA hybrid nanocomposite by adjusting the doping concentration.

Highly transparent and lower resistivity of yttrium doped ZnO thin films grown on quartz glass by sol-gel method

NASA Astrophysics Data System (ADS)

Kaur, Narinder; Sharma, Sanjeev K.; Kim, Deuk Young; Singh, Narinder

2016-11-01

We prepared highly transparent yttrium-doped ZnO (YZO) thin films on quartz glass by a sol-gel method, and then annealed them at 600 °C in vacuum. All samples showed hexagonal wurtzite structure with a preferential orientation along the (002) direction. We observed the average grain size of Y: 2 at% thin film to be in the range of 15-20 nm. We observed blue shift in the optical bandgap (3.29 eV→3.32 eV) by increasing the Y concentration (0-2 at%), due to increasing the number of electrons, and replacing the di-valent (Zn2+) with tri-valent (Y3+) dopants. Replacing the higher ionic radii (Y3+) with smaller ionic radii (Zn2+) expanded the local volume of the lattice, which reduced the lattice defects, and increased the intensity ratio of NBE/DLE emission (INBE/IDLE). We also observed the lowest (172 meV) Urbach energy of Y: 2 at% thin film, and confirmed the high structural quality. Incorporation of the appropriate Y concentration (2 at%) improved the crystallinity of YZO thin films, which led to less carrier scattering and lower resistivity.

Preparation, characterization and electroluminescence studies of ZnO nanorods for optoelectronic device applications

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

Singh, Anju, E-mail: singh-nk24@yahoo.com; Vishwakarma, H. L., E-mail: horilal5@yahoo.com

2015-07-31

In this work, ZnO nanorods were achieved by a simple chemical precipitation method in the presence of capping agent Poly Vinyl Pyrrolidone (PVP) at room temperature. X-Ray Diffraction (XRD) result indicates that the synthesized undoped ZnO nanorods have wurtzite hexagonal structure without any impurities. It has been seen that the growth orientation of the prepared ZnO nanorods were (101). XRD analysis revealed that the nanorods having the crystallite size 49 nm. The Scanning Electron Microscopy (SEM) image confirmed the size and shape of these nanorods. The diameter of nanorods has been found that 1.52 µm to 1.61 µm and the lengthmore » of about 4.89 µm. It has also been found that at room temperature Ultra Violet Visible (UV-VIS) absorption band is around 355 nm (blue shifted as compared to bulk). Electroluminescence (EL) studies show that emission of light is possible at very small threshold voltage and increases rapidly with increasing applied voltage. It is seen that smaller ZnO nanoparticles give higher electroluminescence brightness starting at lower threshold voltage. The brightness is also affected by increasing the frequency of AC signal.« less

Aging effects of the precursor solutions on the properties of spin coated Ga-doped ZnO thin films

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

Serrao, Felcy Jyothi, E-mail: jyothiserrao@gmail.com; Dharmaprakash, S. M.

2015-06-24

In this study, gallium doped zinc oxide thin films (GZO) were grown on a glass substrate by a simple sol-gel process and spin coating technique using zinc acetate and gallium nitrate (3at%) as precursors for Zn and Ga ions respectively. The effects of aging time of the precursor solution on the structural and optical properties of the GZO films were investigated. The surface morphology, grain size, film thickness and optical properties of the GZO films were found to depend directly on the sol aging time. XRD studies reveal that the films are polycrystalline with a hexagonal wurtzite structure and showmore » the c-axis grain orientation. Optical transmittance spectra of all the films exhibited transmittance higher than about 82% within the visible wavelength region. A sharp fundamental absorption edge with a slight blue shifting was observed with an increase in sol aging time which can be explained by Burstein-Moss effect. The result indicates that an appropriate aging time of the sol is important for the improvement of the structural and optical properties of GZO thin films derived from sol-gel method.« less

Oriented Attachment Is a Major Control Mechanism To Form Nail-like Mn-Doped ZnO Nanocrystals.

PubMed

Patterson, Samuel; Arora, Priyanka; Price, Paige; Dittmar, Jasper W; Das, Vijay Kumar; Pink, Maren; Stein, Barry; Morgan, David Gene; Losovyj, Yaroslav; Koczkur, Kallum M; Skrabalak, Sara E; Bronstein, Lyudmila M

2017-12-26

Here, we present a controlled synthesis of Mn-doped ZnO nanoparticles (NPs) with predominantly nail-like shapes, whose formation occurs via tip-to-base-oriented attachment of initially formed nanopyramids, followed by leveling of sharp edges that lead to smooth single-crystalline "nails". This shape is prevalent in noncoordinating solvents such as octadecene and octadecane. Yet, the double bond in the former promotes oriented attachment. By contrast, Mn-doped ZnO NP synthesis in a weakly coordinating solvent, benzyl ether, results in dendritic structures because of random attachment of initial NPs. Mn-doped ZnO NPs possess a hexagonal wurtzite structure, and in the majority of cases, the NP surface is enriched with Mn, indicating a migration of Mn 2+ ions to the NP surface during the NP formation. When the NP formation is carried out without the addition of octadecyl alcohol, which serves as a surfactant and a reaction initiator, large, concave pyramid dimers are formed whose attachment takes place via basal planes. UV-vis and photoluminescence spectra of these NPs confirm the utility of controlling the NP shape to tune electro-optical properties.

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.

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.

Citrus maxima (Pomelo) juice mediated eco-friendly synthesis of ZnO nanoparticles: Applications to photocatalytic, electrochemical sensor and antibacterial activities

NASA Astrophysics Data System (ADS)

Pavithra, N. S.; Lingaraju, K.; Raghu, G. K.; Nagaraju, G.

2017-10-01

In the present work, Zinc oxide nanoparticles (ZnO Nps) have been successfully prepared through a simple, effective and low cost solution combustion method using Zn (NO3)2·6H2O as an oxidizer, chakkota (Common name = Pomelo) fruit juice as novel fuel. X-ray diffraction pattern indicates the hexagonal wurtzite structure with average crystallite size of 22 nm. ZnO Nps were characterized with the aid of different spectroscopic techniques such as Raman spectroscopy, Fourier Transform Infrared spectroscopy, Photoluminescence and UV-Visible spectroscopy. FTIR shows characteristic ZnO vibrational mode at 393 cm- 1. SEM images show that the particles are agglomerated. TEM image shows the size of the particles are about 10-20 nm. Further, in order to establish practical applicability of the synthesized ZnO Nps, photocatalytic degradation of methylene blue (MB) dye as a model system was studied in presence of UV (665 nm) light. In addition to this, the antibacterial activity was screen against 3 bacterial strains and electrochemical sensor performance towards the quantification of dopamine at nano molar concentrations was also explored.

Biosynthesised ZnO : Dy3+ nanoparticles: Biodiesel properties and reusable catalyst for N-formylation of aromatic amines with formic acid

NASA Astrophysics Data System (ADS)

Reddy Yadav, L. S.; Raghavendra, M.; Sudheer Kumar, K. H.; Dhananjaya, N.; Nagaraju, G.

2018-04-01

ZnO nanoparticles doped with trivalent dysprosium ions (Dy3+) were prepared through the green combustion technique using E. tirucalli plant latex as a fuel. The fundamental and optical properties of the samples are examined via the X-ray diffraction, FTIR, UV-visible analytical methods and morphology by scanning electron microscope and transmission electron microscope. Rietveld refinement results show that the ZnO : Dy3+ were crystallized in the wurtzite hexagonal structure with space group P63mc (No. 186). The average particle size of ZnO : Dy3+ prepared with the different concentration of latex was found to be in the range 30-38nm, which is also confirmed by TEM analysis. A rapid and convenient method for the one-pot preparation of N-formamide derivatives aromatic amines and amino acid esters has been developed using Dy3+ doped ZnO as a catalytic agent. This method provides an efficient and much improved modification over reported protocols regarding yield, clean and work-up procedure milder reaction conditions. In this work, Pongamiapinnata oil was recycled for the preparation of biodiesel via Dy3+ doped ZnO as a catalytic agent.

Crystallographic alignment of high-density gallium nitride nanowire arrays.

PubMed

Kuykendall, Tevye; Pauzauskie, Peter J; Zhang, Yanfeng; Goldberger, Joshua; Sirbuly, Donald; Denlinger, Jonathan; Yang, Peidong

2004-08-01

Single-crystalline, one-dimensional semiconductor nanostructures are considered to be one of the critical building blocks for nanoscale optoelectronics. Elucidation of the vapour-liquid-solid growth mechanism has already enabled precise control over nanowire position and size, yet to date, no reports have demonstrated the ability to choose from different crystallographic growth directions of a nanowire array. Control over the nanowire growth direction is extremely desirable, in that anisotropic parameters such as thermal and electrical conductivity, index of refraction, piezoelectric polarization, and bandgap may be used to tune the physical properties of nanowires made from a given material. Here we demonstrate the use of metal-organic chemical vapour deposition (MOCVD) and appropriate substrate selection to control the crystallographic growth directions of high-density arrays of gallium nitride nanowires with distinct geometric and physical properties. Epitaxial growth of wurtzite gallium nitride on (100) gamma-LiAlO(2) and (111) MgO single-crystal substrates resulted in the selective growth of nanowires in the orthogonal [1\\[Evec]0] and [001] directions, exhibiting triangular and hexagonal cross-sections and drastically different optical emission. The MOCVD process is entirely compatible with the current GaN thin-film technology, which would lead to easy scale-up and device integration.

Room temperature photoluminescence properties of ZnO nanorods grown by hydrothermal reaction

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

Iwan, S., E-mail: iwan-sugihartono@unj.ac.id; Prodi Ilmu Material, Departemen Fisika, FMIPA, Universitas Indonesia, Kampus UI Depok; Fauzia, Vivi

Zinc oxide (ZnO) nanorods were fabricated by a hydrothermal reaction on silicon (Si) substrate at 95 °C for 6 hours. The ZnO seed layer was fabricated by depositing ZnO thin films on Si substrates by ultrasonic spray pyrolisis (USP). The annealing effects on crystal structure and optical properties of ZnO nanorods were investigated. The post-annealing treatment was performed at 800 °C with different environments. The annealed of ZnO nanorods were characterized by X-ray diffraction (XRD) and photoluminescence (PL) in order to analyze crystal structure and optical properties, respectively. The results show the orientations of [002], [101], [102], and [103] diffractionmore » peaks were observed and hexagonal wurtzite structure of ZnO nanorods were vertically grown on Si substrates. The room temperature PL spectra show ultra-violet (UV) and visible emissions. The annealed of ZnO nanorods in vacuum condition (3.8 × 10{sup −3} Torr) has dominant UV emission. Meanwhile, non-annealed of ZnO nanorods has dominant visible emission. It was expected that the annealed of ZnO in vacuum condition suppresses the existence of native defects in ZnO nanorods.« less

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.

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.

Effect of solvents on sol-gel spin-coated nanostructured Al-doped ZnO thin films: a film for key optoelectronic applications

NASA Astrophysics Data System (ADS)

Kumar, K. Deva Arun; Valanarasu, S.; Kathalingam, A.; Ganesh, V.; Shkir, Mohd.; AlFaify, S.

2017-12-01

Aluminum-doped zinc oxide (AZO) thin films were deposited by sol-gel spin coating technique onto the glass substrates using different solvents such as 2-methoxyethanol, methanol, ethanol and isopropanol. Prepared films were characterized by XRD, Raman spectrum, SEM, UV-visible spectrophotometer, photoluminescence (PL) and electrical studies. XRD studies showed that all the prepared films are hexagonal wurtzite structure with polycrystalline nature oriented along (002) direction. SEM images showed uniform particles of size around 60 nm distributed regularly on to the entire glass substrate. EDX analysis confirmed the composition of grown AZO film consisting of Al, Zn and O elements. The prepared films showed highest optical transmittance 94% in the visible range and band gap 3.30 eV. PL spectra for all AZO films showed a strong UV emission peak at 387 nm. The AZO films prepared using isopropanol solvent showed high carrier concentration and low resistivity values as 1.72 × 1020 cm-3 and 2.90 × 10-3 Ω cm, respectively, with high figure of merit ( ϕ) value 8.42 × 10-3 (Ω/sq)-1.

Flexible and wearable electronic silk fabrics for human physiological monitoring

NASA Astrophysics Data System (ADS)

Mao, Cuiping; Zhang, Huihui; Lu, Zhisong

2017-09-01

The development of textile-based devices for human physiological monitoring has attracted tremendous interest in recent years. However, flexible physiological sensing elements based on silk fabrics have not been realized. In this paper, ZnO nanorod arrays are grown in situ on reduced graphene oxide-coated silk fabrics via a facile electro-deposition method for the fabrication of silk-fabric-based mechanical sensing devices. The data show that well-aligned ZnO nanorods with hexagonal wurtzite crystalline structures are synthesized on the conductive silk fabric surface. After magnetron sputtering of gold electrodes, silk-fabric-based devices are produced and applied to detect periodic bending and twisting. Based on the electric signals, the deformation and release processes can be easily differentiated. Human arterial pulse and respiration can also be real-time monitored to calculate the pulse rate and respiration frequency, respectively. Throat vibrations during coughing and singing are detected to demonstrate the voice recognition capability. This work may not only help develop silk-fabric-based mechanical sensing elements for potential applications in clinical diagnosis, daily healthcare monitoring and voice recognition, but also provide a versatile method for fabricating textile-based flexible electronic devices.

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.

Fabrication of superhydrophobic surfaces based on ZnO-PDMS nanocomposite coatings and study of its wetting behaviour

NASA Astrophysics Data System (ADS)

Chakradhar, R. P. S.; Kumar, V. Dinesh; Rao, J. L.; Basu, Bharathibai J.

2011-08-01

Superhydrophobic surfaces based on ZnO-PDMS nanocomposite coatings are demonstrated by a simple, facile, time-saving, wet chemical route. ZnO nanopowders with average particle size of 14 nm were synthesized by a low temperature solution combustion method. Powder X-ray diffraction results confirm that the nanopowders exhibit hexagonal wurtzite structure and belong to space group P63 mc. Field emission scanning electron micrographs reveal that the nanoparticles are connected to each other to make large network systems consisting of hierarchical structure. The as formed ZnO coating exhibits wetting behaviour with Water Contact Angle (WCA) of ˜108°, however on modification with polydimethylsiloxane (PDMS), it transforms to superhydrophobic surface with measured contact and sliding angles for water at 155° and less than 5° respectively. The surface properties such as surface free energy ( γp), interfacial free energy ( γpw), and the adhesive work ( Wpw) were evaluated. Electron paramagnetic resonance (EPR) studies on superhydrophobic coatings revealed that the surface defects play a major role on the wetting behaviour. Advantages of the present method include the cheap and fluorine-free raw materials, environmentally benign solvents, and feasibility for applying on large area of different substrates.

Geometrical aspects of the frustration in the cubic phases of lyotropic liquid crystals.

PubMed Central

Anderson, D M; Gruner, S M; Leibler, S

1988-01-01

Bicontinuous cubic phases, composed of bilayers arranged in the geometries of periodic minimal surfaces, are found in a variety of different lipid/water systems. It has been suggested recently that these cubic structures arrive as the result of competition between two free-energy terms: the curvature energy of each monolayer and the stretching energy of the lipid chains. This scenario, closely analogous to the one that explains the origin of the hexagonal phases, is investigated here by means of simple geometrical calculations. It is first assumed that the lipid bilayer is of constant thickness and the distribution of the (local) mean curvature of the phospholipid-water interfaces is calculated. Then, assuming the mean curvature of these interfaces is constant, the distribution of the bilayer's thickness is calculated. Both calculations quantify the fact that the two energy terms are frustrated and cannot be satisfied simultaneously. However, the amount of the frustration can be smaller for the cubic phase than for the lamellar and hexagonal structures. Therefore, this phase can appear in the phase diagram between the other two, as observed in many recent experiments. PMID:3399497

Investigation of ZrO x /ZrC-ZrN/Zr thin-film structural evolution and their degradation using X-ray diffraction and Raman spectrometry

NASA Astrophysics Data System (ADS)

Usmani, B.; Vijay, V.; Chhibber, R.; Dixit, A.

2016-11-01

The thin-film structures of DC/FR magnetron-sputtered ZrO x /ZrC-ZrN/Zr tandem solar-selective coatings are investigated using X-ray diffraction and room-temperature Raman spectroscopic measurements. These studies suggest that the major contribution is coming from h-ZrN0.28, c-ZrC, h-Zr3C2 crystallographic phases in ZrN-ZrC absorber layer, in conjunction with mixed ZrO x crystallographic phases. The change in structure for thermally annealed samples has been examined and observed that cubic and hexagonal ZrO x phase converted partially into tetragonal and monoclinic ZrO x phases, whereas hexagonal and cubic ZrN phases, from absorber layer, have not been observed for these thermally treated samples in air. These studies suggest that thermal treatment may lead to the loss of ZrN phase in absorber, degrading the thermal response for the desired wavelength range in open ambient conditions in contrast to vacuum conditions.

Enhanced room temperature multiferroic characteristics in hexagonal LuFe1-xNixO3 (x = 0 - 0.3) nanoparticles

NASA Astrophysics Data System (ADS)

Suresh, Pittala; Vijaya Laxmi, K.; Anil Kumar, P. S.

2018-02-01

Single phase polycrystalline LuFe1-xNixO3 (x = 0 - 0.3) (LFNO) nanoparticles are synthesized using the sol-gel method. X-ray diffraction measurements revealed that the crystal structure of Ni-doped samples is isomorphic to hexagonal LuFeO3 (LFO). The phase pure hexagonal P63cm symmetry exists for 0 ≤ x ≤ 0.3, and the secondary phases appear for x ≥ 0.4. Raman spectra show a shift in the mode frequency corresponding to the changes in Lu-O and Fe-O bond lengths with Ni doping. An enhancement in the magnetization is observed for LFNO throughout the temperature range (400-5 K) compared to LFO. The antiferromagnetic state of LFO becomes ferrimagnetic at low temperatures, and a net magnetization is observed at room temperature with Ni doping. As Ni concentration increases, a systematic increment in the ferroelectric polarization is observed. This enhancement in polarization is believed to be due to the distortion in FeO5 cage, while the improvement in magnetic properties is due to the induced magnetic interactions, caused by the Fe-Ni interactions on the triangular lattice with Ni doping in LuFeO3.

Electrochemical synthesis of one-dimensional ZnO nanostructures on ZnO seed layer for DSSC applications

NASA Astrophysics Data System (ADS)

Marimuthu, T.; Anandhan, N.; Thangamuthu, R.

2018-01-01

Electrochemical deposition of vertically aligned zinc oxide (ZnO) nanorods were prepared on ZnO seeded fluorine doped tin oxide (FTO) substrate in the solutions consisting of different concentrations of hexamethylenetetramine (HMTA). The electrochemical, structural, morphological, vibrational and optical properties were characterized by cyclic voltammetry (CV), X-ray diffraction (XRD), scanning electron microscope (SEM), Raman spectroscopy and photoluminescence (PL) spectroscopy, respectively. CV curves confirm that metallic zinc phase is not deposited as the HMTA concentration is about 9 mM in a deposition solution. XRD patterns of the as-prepared films show that the increasing HMTA concentrations from 0 mM to 9 mM not only increase the formation of zinc hydrate chloride (Zn5(OH)8Cl2·H2O) but also decrease and finally disappear the metallic Zn deposition. After the as-prepared films annealed at 450 ° C, the crystalline phases of Zn and Zn5(OH)8Cl2·H2O are completely converted to ZnO hexagonal wurtzite phase with high intense growth (002) plane orientation. SEM images support that the vertical growth of ZnO nanostructures (nanorods and petals) with a few flowers is found to be in the cordillera structure as the films are deposited in the solutions consisting of 3 mM, 6 mM and 9 mM HMTA respectively. Raman and PL spectra confirm that the ZnO film deposited in the solution consisting of 9 mM HMTA has a higher crystalline nature with lesser atomic defects and is also higher c-axis growth than that of other films deposited in the solutions consisting of 0 mM, 3 mM and 6 mM, respectively. UV-vis absorbance spectra corroborate that the ZnO film deposited in the solution consisting of 9 mM HMTA shows a high dye absorbance as compared with other films. The efficiency of DSSCs based on ZnO photoanodes deposited in the solutions consisting of 0 mM and 9 mM HMTA was 1.79 and 3.75%, respectively. Electrochemical impedance spectra revealed that DSSC based on ZnO photoanode deposited in the solution consisting of 9 mM HMTA has a higher charge recombination resistance (Rrec) than that of another DSSC.

Structures, phase transitions, and magnetic properties of C o3Si from first-principles calculations

NASA Astrophysics Data System (ADS)

Zhao, Xin; Yu, Shu; Wu, Shunqing; Nguyen, Manh Cuong; Wang, Cai-Zhuang; Ho, Kai-Ming

2017-07-01

C o3Si was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [B. Balasubramanian et al., Appl. Phys. Lett. 108, 152406 (2016)], 10.1063/1.4945987, yet better understanding of this material should be promoted. Here we report a study on the crystal structures of C o3Si using an adaptive genetic algorithm and discuss its electronic and magnetic properties from first-principles calculations. Several competing phases of C o3Si have been revealed from our calculations. We show that the hexagonal C o3Si structure reported in experiments has lower energy in the nonmagnetic state than in the ferromagnetic state at zero temperature. The ferromagnetic state of the hexagonal structure is dynamically unstable with imaginary phonon modes and transforms into a new orthorhombic structure, which is confirmed by our structure searches to have the lowest energy for both C o3Si and C o3Ge . Magnetic properties of the experimental hexagonal structure and the lowest-energy structures obtained from our structure searches are investigated in detail.

Ultrathin Uniform Platinum Nanowires via a Facile Route Using an Inverse Hexagonal Surfactant Phase Template.

PubMed

Akbar, Samina; Boswell, Jacob; Worsley, Carys; Elliott, Joanne M; Squires, Adam M

2018-06-19

We present an attractive method for the fabrication of long, straight, highly crystalline, ultrathin platinum nanowires. The fabrication is simply achieved using an inverse hexagonal (H II ) lyotropic liquid crystal phase of the commercial surfactant phytantriol as a template. A platinum precursor dissolved within the cylindrical aqueous channels of the liquid crystal phase is chemically reduced by galvanic displacement using stainless steel. We demonstrate the production of nanowires using the H II phase in the phytantriol/water system which we obtain either by heating to 55 °C or at room temperature by the addition of a hydrophobic liquid, 9- cis-tricosene, to relieve packing frustration. The two sets of conditions produced high aspect nanowires with diameters of 2.5 and 1.7 nm, respectively, at least hundreds of nanometers in length, matching the size of the aqueous channels in which they grow. This versatile approach can be extended to produce highly uniform nanowires from a range of metals.

The phases and magnetic properties of (Ti, Co), and Cr doped Zn 2Y-type hexagonal ferrite

NASA Astrophysics Data System (ADS)

Chang, Y. H.; Wang, C. C.; Chin, T. S.; Yen, F. S.

1988-04-01

The phases and magnetic properties of Y-type hexagonal ferrite, Ba 2Zn 2 (Ti, Co) yFe 12-2 yO 22 doped with two sets of ions, (Ti, Co) and Cr were studied. In (Ti, Co) - doped ferrites the second phase appears at y ⩾ 0.6, which is a spinel type with the formula of (Zn 1-ηCo η)(Fe 2-δCo δ)O 4. Two resonant peaks are observed in ESR studies at the fields of 1020 and 2430 Oe, respectively, at a frequency of 9.684 GHz. The linewidth increases with the addition of the dopants. In chromium doped ferrite, two phases are identified as the amount of chromium is up to 0.2: spinel type of Zn(Fe 2-ɛCr ɛ)O 4 and orthorhombic BaCr 2O 4. Although the amount of Cr used does not influence the resonant field of the unique peak of the derivative curves from ESR, it eventually enlarges the linewidth.

Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures

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

Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.

Magnetic ordering temperatures in heavy rare earth metal Dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to extreme conditions of pressure to 69 GPa and temperature to 10 K. Previous studies using magnetic susceptibility measurements at high pressures were only able to track magnetic ordering temperature till 7 GPa in the hexagonal close packed ( hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80 K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17 GPa. Thismore » is followed by a rapid increase in the magnetic ordering temperatures in the double hexagonal close packed phase and finally leveling off in the distorted face centered cubic phase of Dy. Lastly, our studies reaffirm that 4f-shell remain localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69 GPa.« less

M2+ Doping Induced Simultaneous Phase/Size Control and Remarkable Enhanced Upconversion Luminescence of NaLnF4 Probes for Optical-Guided Tiny Tumor Diagnosis.

PubMed

Li, Youbin; Li, Xiaolong; Xue, Zhenluan; Jiang, Mingyang; Zeng, Songjun; Hao, Jianhua

2017-05-01

Doping has played a vital role in constructing desirable hybrid materials with tunable functions and properties via incorporating atoms into host matrix. Herein, a simple strategy for simultaneously modifying the phase, size, and upconversion luminescence (UCL) properties of the NaLnF 4 (Ln = Y, Yb) nanocrystals by high-temperature coprecipitation through nonequivalent M 2+ doping (M = Mg 2+ , Co 2+ ) has been demonstrated. The phase transformation from cubic to hexagonal is readily achieved by doping M 2+ . Compared with Mg-free sample, a remarkable enhancement of overall UCL (≈27.5 times) is obtained by doping Mg 2+ . Interestingly, owing to the efficient UCL, red UCL-guided tiny tumor (down to 3 mm) diagnosis is demonstrated for the first time. The results open up a new way of designing high efficient UCL probe with combination of hexagonal phase and small size for tiny tumor detection. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures

DOE PAGES

Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.; ...

2014-04-03

Magnetic ordering temperatures in heavy rare earth metal Dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to extreme conditions of pressure to 69 GPa and temperature to 10 K. Previous studies using magnetic susceptibility measurements at high pressures were only able to track magnetic ordering temperature till 7 GPa in the hexagonal close packed ( hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80 K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17 GPa. Thismore » is followed by a rapid increase in the magnetic ordering temperatures in the double hexagonal close packed phase and finally leveling off in the distorted face centered cubic phase of Dy. Lastly, our studies reaffirm that 4f-shell remain localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69 GPa.« less