Photoluminescence and doping mechanism of theranostic Eu3+/Fe3+ dual-doped hydroxyapatite nanoparticles.

PubMed

Chen, Min-Hua; Yoshioka, Tomohiko; Ikoma, Toshiyuki; Hanagata, Nobutaka; Lin, Feng-Huei; Tanaka, Junzo

2014-10-01

Theranostic nanoparticles currently have been regarded as an emerging concept of 'personalized medicine' with diagnostic and therapeutic dual-functions. Eu 3+ doped hydroxyapatite (HAp) has been regarded as a promising fluorescent probe for in vivo imaging applications. Additionally, substitution of Ca 2+ with Fe 3+ in HAp crystal may endow the capability of producing heat upon exposure to a magnetic field. Here we report a preliminary study of doping mechanism and photoluminescence of Eu 3+ and Fe 3+ doped HAp nanoparticles (Eu/Fe:HAp). HAp with varied concentration of Eu 3+ and Fe 3+ doping are presented as Eu(10 mol%):HAp, Eu(7 mol%)-Fe(3 mol%):HAp, Eu(5 mol%)-Fe(5 mol%):HAp, Eu(3 mol%)-Fe(7 mol%):HAp, and Fe(10 mol%):HAp in the study. The results showed that the HAp particles, in nano-size with rod-like morphology, were successfully doped with Eu 3+ and Fe 3+ , and the particles can be well suspended in cell culture medium. Photoluminescence analysis revealed that particles have prominent emissions at 536 nm, 590 nm, 615 nm, 650 nm and 695 nm upon excitation at a wavelength of 397 nm. Moreover, these Eu/Fe:HAp nanoparticles belonged to B-type carbonated HAp, which has been considered an effective biodegradable and biocompatible drug/gene carrier in biological applications.

Photoluminescence and doping mechanism of theranostic Eu3+/Fe3+ dual-doped hydroxyapatite nanoparticles

NASA Astrophysics Data System (ADS)

Chen, Min-Hua; Yoshioka, Tomohiko; Ikoma, Toshiyuki; Hanagata, Nobutaka; Lin, Feng-Huei; Tanaka, Junzo

2014-10-01

Theranostic nanoparticles currently have been regarded as an emerging concept of ‘personalized medicine’ with diagnostic and therapeutic dual-functions. Eu3+ doped hydroxyapatite (HAp) has been regarded as a promising fluorescent probe for in vivo imaging applications. Additionally, substitution of Ca2+ with Fe3+ in HAp crystal may endow the capability of producing heat upon exposure to a magnetic field. Here we report a preliminary study of doping mechanism and photoluminescence of Eu3+ and Fe3+ doped HAp nanoparticles (Eu/Fe:HAp). HAp with varied concentration of Eu3+ and Fe3+ doping are presented as Eu(10 mol%):HAp, Eu(7 mol%)-Fe(3 mol%):HAp, Eu(5 mol%)-Fe(5 mol%):HAp, Eu(3 mol%)-Fe(7 mol%):HAp, and Fe(10 mol%):HAp in the study. The results showed that the HAp particles, in nano-size with rod-like morphology, were successfully doped with Eu3+ and Fe3+, and the particles can be well suspended in cell culture medium. Photoluminescence analysis revealed that particles have prominent emissions at 536 nm, 590 nm, 615 nm, 650 nm and 695 nm upon excitation at a wavelength of 397 nm. Moreover, these Eu/Fe:HAp nanoparticles belonged to B-type carbonated HAp, which has been considered an effective biodegradable and biocompatible drug/gene carrier in biological applications.

Fabrication of mesoporous iron (Fe) doped copper sulfide (CuS) nanocomposite in the presence of a cationic surfactant via mild hydrothermal method for supercapacitors

NASA Astrophysics Data System (ADS)

Brown, J. William; Ramesh, P. S.; Geetha, D.

2018-02-01

We report fabrication of mesoporous Fe doped CuS nanocomposites with uniform mesoporous spherical structures via a mild hydrothermal method employing copper nitrate trihydrate (Cu (NO3).3H2O), Thiourea (Tu,Sc(NH2)2 and Iron tri nitrate (Fe(No3)3) as initial materials with cationic surfactant cetyltrimethylamoniame bromide (CTAB) as stabilizer/size controller and Ethylene glycol as solvent at 130 °C temperature. The products were characterized by XRD, SEM/EDX, TEM, FTIR and UV analysis. X-ray diffraction (XRD) spectra confirmed the Fe doped CuS nanocomposites which are crystalline in nature. EDX and XRD pattern confirmed that the product is hexagonal CuS phase. Fe doped spherical structure of CuS with grain size of 21 nm was confirmed by XRD pattern. Fe doping was identified by energy dispersive spectrometry (EDS). The Fourier-transform infrared (FTIR) spectroscopy results revealed the occurrence of active functional groups required for the reduction of copper ions. Studies showed that after a definite time relining on the chosen copper source, the obtained Fe-CuS nanocomposite shows a tendency towards self-assembly and creating mesoporous like nano and submicro structures by TEM/SAED. The achievable mechanism of producing this nanocomposite was primarily discussed. The electrochemical study confirms the pseudocapacitive nature of the CuS and Fe-CuS electrodes. The CuS and Fe-CuS electrode shows a specific capacitance of about 328.26 and 516.39 Fg-1 at a scan rate of 5 mVs-1. As the electrode in a supercapacitor, the mesoporous nanostructured Fe-CuS shows excellent capacitance characteristics.

Room temperature ferromagnetism in Fe-doped CuO nanoparticles.

PubMed

Layek, Samar; Verma, H C

2013-03-01

The pure and Fe-doped CuO nanoparticles of the series Cu(1-x)Fe(x)O (x = 0.00, 0.02, 0.04, 0.06 and 0.08) were successfully prepared by a simple low temperature sol-gel method using metal nitrates and citric acid. Rietveld refinement of the X-ray diffraction data showed that all the samples were single phase crystallized in monoclinic structure of space group C2/c with average crystallite size of about 25 nm and unit cell volume decreases with increasing iron doping concentration. TEM micrograph showed nearly spherical shaped agglomerated particles of 4% Fe-doped CuO with average diameter 26 nm. Pure CuO showed weak ferromagnetic behavior at room temperature with coercive field of 67 Oe. The ferromagnetic properties were greatly enhanced with Fe-doping in the CuO matrix. All the doped samples showed ferromagnetism at room temperature with a noticeable coercive field. Saturation magnetization increases with increasing Fe-doping, becomes highest for 4% doping then decreases for further doping which confirms that the ferromagnetism in these nanoparticles are intrinsic and are not resulting from any impurity phases. The ZFC and FC branches of the temperature dependent magnetization (measured in the range of 10-350 K by SQUID magnetometer) look like typical ferromagnetic nanoparticles and indicates that the ferromagnetic Curie temperature is above 350 K.

Characterization of Bi and Fe co-doped PZT capacitors for FeRAM.

PubMed

Cross, Jeffrey S; Kim, Seung-Hyun; Wada, Satoshi; Chatterjee, Abhijit

2010-08-01

Ferroelectric random access memory (FeRAM) has been in mass production for over 15 years. Higher polarization ferroelectric materials are needed for future devices which can operate above about 100 °C. With this goal in mind, co-doping of thin Pb(Zr 40 ,Ti 60 )O 3 (PZT) films with 1 at.% Bi and 1 at.% Fe was examined in order to enhance the ferroelectric properties as well as characterize the doped material. The XRD patterns of PZT-5% BiFeO 3 (BF) and PZT 140-nm thick films showed (111) orientation on (111) platinized Si wafers and a 30 °C increase in the tetragonal to cubic phase transition temperature, often called the Curie temperature, from 350 to 380 °C with co-doping, indicating that Bi and Fe are substituting into the PZT lattice. Raman spectra revealed decreased band intensity with Bi and Fe co-doping of PZT compared to PZT. Polarization hysteresis loops show similar values of remanent polarization, but square-shaped voltage pulse-measured net polarization values of PZT-BF were higher and showed higher endurance to repeated cycling up to 10 10 cycles. It is proposed that Bi and Fe are both in the +3 oxidation state and substituting into the perovskite A and B sites, respectively. Substitution of Bi and Fe into the PZT lattice likely creates defect dipoles, which increase the net polarization when measured by the short voltage pulse positive-up-negative-down (PUND) method.

Characterization of Bi and Fe co-doped PZT capacitors for FeRAM

PubMed Central

Cross, Jeffrey S; Kim, Seung-Hyun; Wada, Satoshi; Chatterjee, Abhijit

2010-01-01

Ferroelectric random access memory (FeRAM) has been in mass production for over 15 years. Higher polarization ferroelectric materials are needed for future devices which can operate above about 100 °C. With this goal in mind, co-doping of thin Pb(Zr40,Ti60)O3 (PZT) films with 1 at.% Bi and 1 at.% Fe was examined in order to enhance the ferroelectric properties as well as characterize the doped material. The XRD patterns of PZT-5% BiFeO3 (BF) and PZT 140-nm thick films showed (111) orientation on (111) platinized Si wafers and a 30 °C increase in the tetragonal to cubic phase transition temperature, often called the Curie temperature, from 350 to 380 °C with co-doping, indicating that Bi and Fe are substituting into the PZT lattice. Raman spectra revealed decreased band intensity with Bi and Fe co-doping of PZT compared to PZT. Polarization hysteresis loops show similar values of remanent polarization, but square-shaped voltage pulse-measured net polarization values of PZT-BF were higher and showed higher endurance to repeated cycling up to 1010 cycles. It is proposed that Bi and Fe are both in the +3 oxidation state and substituting into the perovskite A and B sites, respectively. Substitution of Bi and Fe into the PZT lattice likely creates defect dipoles, which increase the net polarization when measured by the short voltage pulse positive-up-negative-down (PUND) method. PMID:27877349

Tuning Superconductivity in FeSe Thin Films via Magnesium Doping.

PubMed

Qiu, Wenbin; Ma, Zongqing; Liu, Yongchang; Shahriar Al Hossain, Mohammed; Wang, Xiaolin; Cai, Chuanbing; Dou, Shi Xue

2016-03-01

In contrast to its bulk crystal, the FeSe thin film or layer exhibits better superconductivity performance, which recently attracted much interest in its fundamental research as well as in potential applications around the world. In the present work, tuning superconductivity in FeSe thin films was achieved by magnesium-doping technique. Tc is significantly enhanced from 10.7 K in pure FeSe films to 13.4 K in optimized Mg-doped ones, which is approximately 1.5 times higher than that of bulk crystals. This is the first time achieving the enhancement of superconducting transition temperature in FeSe thin films with practical thickness (120 nm) via a simple Mg-doping process. Moreover, these Mg-doped FeSe films are quite stable in atmosphere with Hc2 up to 32.7 T and Tc(zero) up to 12 K, respectively, implying their outstanding potential for practical applications in high magnetic fields. It was found that Mg enters the matrix of FeSe lattice, and does not react with FeSe forming any other secondary phase. Actually, Mg first occupies Fe-vacancies, and then substitutes for some Fe in the FeSe crystal lattices when Fe-vacancies are fully filled. Simultaneously, external Mg-doping introduces sufficient electron doping and induces the variation of electron carrier concentration according to Hall coefficient measurements. This is responsible for the evolution of superconducting performance in FeSe thin films. Our results provide a new strategy to improve the superconductivity of 11 type Fe-based superconductors and will help us to understand the intrinsic mechanism of this unconventional superconducting system.

Copper solubility in a basaltic melt and sulfide liquid/silicate melt partition coefficients of Cu and Fe

NASA Astrophysics Data System (ADS)

Ripley, Edward M.; Brophy, James G.; Li, Chusi

2002-09-01

The solubility of copper in a sulfur-saturated basaltic melt has been determined at 1245°C as a function of fO 2 and fS 2. Copper solubilities at log fO 2 values between -8 and -11 fall into two distinct populations as a function of fS 2. At log fS 2 values < -1.65, sulfide liquid that coexists with the basaltic glass quenches to sulfur-poor bornite solid solution. At log fS 2 values in excess of -1.65, the sulfide liquid quenches to a complex intergrowth of sulfur-rich bornite and intermediate solid solution. Copper solubilities in the low-fS 2 population range from 594 to 1550 ppm, whereas those in the high-fS 2 population range from 80 to 768 ppm. Sulfide liquid/silicate liquid partition coefficients (D) for Cu and Fe range from 480 to 1303 and 0.7 to 13.6, respectively. Metal-sulfur complexing in the silicate liquid is shown to be insignificant relative to metal-oxide complexing for Fe but permissible for Cu at high fS 2 values. On log D Fe (sulfide-silicate) and log D Cu (sulfide-silicate) vs. 1/2 (log fS 2 - log fO 2) diagrams, both fS 2 populations show distinct but parallel trends. The observation of two D values for any fS 2/fO 2 ratio indicates nonideal mixing of species involved in the exchange reaction. The two distinct trends observed for both Cu and Fe are thought to be due to variations in activity coefficient ratios (e.g., γ FeO/γ FeS and γ CuO 0.5/γ CuS 0.5). Results of the experiments suggest that accurate assessments of fS 2/fO 2 ratios are required for the successful numerical modeling of processes such as the partial melting of sulfide-bearing mantle and the crystallization of sulfide-bearing magmas, as well as the interpretation of sulfide mineralogical zoning. In addition, the experiments provide evidence for oxide or oxy-sulfide complexing for Cu in silicate magmas and suggest that the introduction of externally derived sulfur to mafic magma may be an important process for the formation of Cu-rich disseminated magmatic sulfide ore

Sulfidation behavior of ZnFe2O4 roasted with pyrite: Sulfur inducing and sulfur-oxygen interface exchange mechanism

NASA Astrophysics Data System (ADS)

Min, Xiaobo; Zhou, Bosheng; Ke, Yong; Chai, Liyuan; Xue, Ke; Zhang, Chun; Zhao, Zongwen; Shen, Chen

2016-05-01

The sulfidation roasting behavior was analyzed in detail to reveal the reaction mechanism. Information about the sulfidation reaction, including phase transformation, ionic migration behavior and morphological change, were obtained by XRD, 57Fe Mossbauer spectroscopy, XPS and SEM analysis. The results showed that the sulfidation of zinc ferrite is a process of sulfur inducing and sulfur-oxygen interface exchange. This process can be divided into six stages: decomposition of FeS2, formation of the oxygen-deficient environment, migration of O2- induced by S2(g), formation of ZnFe2O4-δ, migration of Fe2+ accompanied by the precipitation of ZnO, and the sulfur-oxygen interface exchange reaction. The sulfidation products were zinc blende, wurtzite, magnetite and a fraction of zinc-bearing magnetite. These findings can provide theoretical support for controlling the process during which the recovery of Zn and Fe is achieved through the combined flotation-magnetic separation process.

Superparamagnetic behavior of Fe-doped SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

Hachisu, M.; Onuma, K.; Kondo, T.; Miike, K.; Miyasaka, T.; Mori, K.; Ichiyanagi, Y.

2014-02-01

SnO2 is an n-type semiconductor with a wide band gap of 3.62 eV, and SnO2 nanoparticles doped with magnetic ions are expected to realized new diluted magnetic semiconductors (DMSs). Realizing ferromagnetism at room temperature is important for spintronics device applications, and it is interesting that the magnetic properties of these DMS systems can be varied significantly by modifying the preparation methods or conditions. In this study, the magnetic properties of Fe-doped (3% and 5%) SnO2 nanoparticles, prepared using our novel chemical preparation method and encapsulated in amorphous SiO2, were investigated. The particle size (1.8-16.9 nm) and crystal phase were controlled by the annealing temperature. X-ray diffraction confirmed a rutile SnO2 single-phase structure for samples annealed at 1073-1373 K, and the composition was confirmed using X-ray fluorescence analysis. SQUID magnetometer measurements revealed superparamagnetic behavior of the 5%-Fe-doped sample at room temperature, although SnO2 is known to be diamagnetic. Magnetization curves at 5 K indicated that the 3%-Fe-doped has a larger magnetization than that of the 5%-Fe-doped sample. We conclude that the magnetization of the 5%-Fe-doped sample decreased at 5 K due to the superexchange interaction between the antiferromagnetic coupling in the nanoparticle system.

Sol-Gel Synthesis of Fe-Doped TiO2 Nanocrystals

NASA Astrophysics Data System (ADS)

Marami, Mohammad Bagher; Farahmandjou, Majid; Khoshnevisan, Bahram

2018-03-01

Fe-doped TiO2 powders were synthesized by the sol-gel method using titanium (IV) isopropoxide (TTIP) as the starting material, ethanol as solvent, and ethylene glycol (EG) as stabilizer. These prepared samples were characterized by x-ray diffractometer (XRD), field emission scanning electron microscope (FESEM), Fourier-transform infrared (FTIR) spectroscopy, diffuse reflection spectroscopy (DRS), energy-dispersive x-ray spectroscopy (EDX), and photoluminescence (PL) analyses to study their structure, morphology, and optical properties. The particle size of Fe-doped TiO2 was in the range of 18-39 nm and the minimum crystallite size was achieved for 4 mol.% of Fe. The XRD result of the samples that were doped with Fe showed a tetragonal structure. It also revealed the coexistence of the anatase and rutile phases, and showed that their ratio changed with various molar concentrations of Fe dopant. FTIR spectroscopy showed the presence of the Ti-O vibration band in the samples. PL analysis revealed the PL property in the UV region. Visible irradiation and the intensity of PL spectra were both reduced by doping TiO2 with 3 mol.% of Fe as compared to the pure variety. The spectra from the DRS showed a red shift and a reduction of 2.6 eV in the band gap energy for 4 mol.% Fe-doped TiO2. The optimum level of impurity (4 mol.%) for Fe-doped TiO2 nanoparticles (NPs), which improve the optical and electrical properties by using new precursors and can be used in solar cells and electronic devices, was determined. The novelty of this work consists of: the Fe/TiO2 NPs are synthesized by new precursors from sol-gel synthesis of iron and TTIP using acetic acid-catalyzed solvolysis (original idea) and the optical properties optimized with a mixture of phases (anatase/rutile) of Fe-doped TiO2 by this facile method.

Sol-Gel Synthesis of Fe-Doped TiO2 Nanocrystals

NASA Astrophysics Data System (ADS)

Marami, Mohammad Bagher; Farahmandjou, Majid; Khoshnevisan, Bahram

2018-07-01

Fe-doped TiO2 powders were synthesized by the sol-gel method using titanium (IV) isopropoxide (TTIP) as the starting material, ethanol as solvent, and ethylene glycol (EG) as stabilizer. These prepared samples were characterized by x-ray diffractometer (XRD), field emission scanning electron microscope (FESEM), Fourier-transform infrared (FTIR) spectroscopy, diffuse reflection spectroscopy (DRS), energy-dispersive x-ray spectroscopy (EDX), and photoluminescence (PL) analyses to study their structure, morphology, and optical properties. The particle size of Fe-doped TiO2 was in the range of 18-39 nm and the minimum crystallite size was achieved for 4 mol.% of Fe. The XRD result of the samples that were doped with Fe showed a tetragonal structure. It also revealed the coexistence of the anatase and rutile phases, and showed that their ratio changed with various molar concentrations of Fe dopant. FTIR spectroscopy showed the presence of the Ti-O vibration band in the samples. PL analysis revealed the PL property in the UV region. Visible irradiation and the intensity of PL spectra were both reduced by doping TiO2 with 3 mol.% of Fe as compared to the pure variety. The spectra from the DRS showed a red shift and a reduction of 2.6 eV in the band gap energy for 4 mol.% Fe-doped TiO2. The optimum level of impurity (4 mol.%) for Fe-doped TiO2 nanoparticles (NPs), which improve the optical and electrical properties by using new precursors and can be used in solar cells and electronic devices, was determined. The novelty of this work consists of: the Fe/TiO2 NPs are synthesized by new precursors from sol-gel synthesis of iron and TTIP using acetic acid-catalyzed solvolysis (original idea) and the optical properties optimized with a mixture of phases (anatase /rutile) of Fe-doped TiO2 by this facile method.

FIB-TEM Investigations of Fe-NI-Sulfides in the CI Chondrites Alais and Orgueil

NASA Technical Reports Server (NTRS)

Berger, Eve L.; Lauretta, D. S.; Zega, T. J.; Keller, L. P.

2013-01-01

The CI chondrites are primitive meteorites with bulk compositions matching the solar photosphere for all but the lightest elements. They have been extensively aqueously altered, and are composed primarily of fine-grained phyllosilicate matrix material which is host to carbonates, sulfates, sulfides, and minor amounts of olivine and pyroxene. The alteration, while extensive, is heterogeneous. For example, CI-chondrite cubanite and carbonate grains differ on mm to sub-mm scales, demonstrating multiple aqueous episodes. CI-chondrite variability is also evidenced by degree of brecciation, abundance and size of coarse-grained phyllosilicates, olivine and pyroxene abundance, as well as Ni-content and size of sulfide grains. Our previous work revealed Orgueil sulfide grains with variable Ni-contents, metal:S ratios, crystal structures and textures. We continue to explore the variability of CI-chondrite pyrrhotite (Po, (FeNi)1-xS) and pentlandite (Pn, (Fe,Ni)9S8) grains. We investigate the microstructure of sulfides within and among CI-chondrite meteorites in order to place constraints on the conditions under which they formed.

Room temperature ferromagnetism in Fe-doped CeO2 nanoparticles.

PubMed

Maensiri, Santi; Phokha, Sumalin; Laokul, Paveena; Seraphin, Supapan

2009-11-01

RT ferromagnetism was observed in nanoparticles of Fe-doped CeO2 (i.e., Ce(0.97)Fe(0.03)O2) synthesized by a sol-gel method. The undoped and Fe-doped CeO2 were characterized by XRD, Raman spectroscopy, TEM, and VSM. The undoped samples and Ce(0.97)Fe(0.03)O2 precursor exhibit a diamagnetic behavior. The 673 K-calcined Ce(0.97)Fe(0.03)O2 sample is paramagnetic whereas 773 and 873 K-calcined Ce(0.97)Fe(0.03)O2 samples are ferromagnetism having the magnetizations of 4.65 x 10(-3) emu/g and 6.20 x 10(-3) emu/g at 10 kOe, respectively. Our results indicate that the ferromagnetic property is intrinsic to the Fe-doped CeO2 system and is not a result of any secondary magnetic phase or cluster formation.

S, N‐Co‐Doped Graphene‐Nickel Cobalt Sulfide Aerogel: Improved Energy Storage and Electrocatalytic Performance

PubMed Central

He, Guanjie; Qiao, Mo; Li, Wenyao; Lu, Yao; Zhao, Tingting; Zou, Rujia; Li, Bo; Darr, Jawwad A.; Hu, Junqing; Titirici, Maria‐Magdalena

2016-01-01

Metal sulfides are commonly used in energy storage and electrocatalysts due to their redox centers and active sites. Most literature reports show that their performance decreases significantly caused by oxidation in alkaline electrolyte during electrochemical testing. Herein, S and N co‐doped graphene‐based nickel cobalt sulfide aerogels are synthesized for use as rechargeable alkaline battery electrodes and oxygen reduction reaction (ORR) catalysts. Notably, this system shows improved cyclability due to the stabilization effect of the S and N co‐doped graphene aerogel (SNGA). This reduces the rate of oxidation and the decay of electronic conductivity of the metal sulfides materials in alkaline electrolyte, i.e., the capacity decrease of CoNi2S4/SNGA is 4.2% for 10 000 cycles in a three‐electrode test; the current retention of 88.6% for Co—S/SNGA after 12 000 s current–time chronoamperometric response in the ORR test is higher than corresponding Co—S nanoparticles and Co—S/non‐doped graphene aerogels. Importantly, the results here confirm that the Ni—Co—S ternary materials behave as an electrode for rechargeable alkaline batteries rather than supercapacitors electrodes in three‐electrode test as commonly described and accepted in the literature. Furthermore, formulas to evaluate the performance of hybrid battery devices are specified. PMID:28105397

Fe3C nanoparticle decorated Fe/N doped graphene for efficient oxygen reduction reaction electrocatalysis

NASA Astrophysics Data System (ADS)

Niu, Yanli; Huang, Xiaoqin; Hu, Weihua

2016-11-01

Oxygen reduction reaction (ORR) electrocatalysts with high activity, low cost and good durability are crucial to promote the large-scale practical application of fuel cells. Particularly, iron carbide (Fe3C) supported on nitrogen-doped carbon has recently demonstrated compelling promise for ORR electrocatalysis. In this paper, we report the facile synthesis of mesoporous Fe/N-doped graphene with encapsulated Fe3C nanoparticles (Fe3C@Fe/N-graphene) and its superior ORR catalytic activity. This hybrid material was synthesized by the spontaneous oxidative polymerization of dopamine on graphene oxide (GO) sheets in the presence of iron ion, followed by thermal annealing in Argon (Ar) atmosphere. As-prepared material shows high ORR catalytic activity with overwhelming four-electron reduction pathway, long-term durability and high methanol tolerance in alkaline media. This work reports a facile method to synthesize promising ORR electrocatalysis with multiple components and hierarchical architecture, and may offer valuable insight into the underlying mechanism of Fe3C-boosted ORR activity of Fe/N doped carbon.

Survival of the fittest: phosphorus burial in the sulfidic deep Black Sea

NASA Astrophysics Data System (ADS)

Kraal, Peter; Dijkstra, Nikki; Behrends, Thilo; Slomp, Caroline

2016-04-01

The Black Sea is characterized by permanently anoxic and sulfidic deep waters. Studies of the mechanisms of P burial in such a setting can be used to improve our understanding of P cycling in modern coastal systems undergoing eutrophication and ancient oceans during periods of anoxia in Earth's past. Here, we present phosphorus and iron (Fe) pools as determined in surface sediments along a transect from oxic shallow waters to sulfidic deep waters in the northwestern Black Sea, using a combination of bulk chemical analyses and micro-scale X-ray fluorescence (μXRF) and X-ray absorption spectroscopy (μXAS). We show that under oxic bottom water conditions, ferric iron oxides (Fe(III)ox) in surficial sediment efficiently scavenge dissolved phosphate from pore waters. Under these conditions, Fe(III)ox-bound P constitutes the main P pool at the sediment surface, but rapidly declines with depth in the sediment due to anoxic diagenesis. The transition from shallow (oxic) to deep (sulfidic) waters along the depth transect is reflected in a slight increase in the fraction of organic P. We also show evidence for authigenic calcium phosphate formation under sulfidic conditions at relatively low dissolved PO4 concentrations. Furthermore, we provide spectroscopic evidence for the presence of Fe(II)-Mn(II)-Mg-P minerals in sediments of the sulfidic deep basin. We hypothesize that these minerals are formed as a result of input of Fe(III)ox-P from shallower waters and subsequent transformation in either the water column or sediment. This finding suggests an unexpected strength of Fe-P shuttling from the shelf to the deep basin. While the presence of Fe-P species in such a highly sulfidic environment is remarkable, further analysis suggests that this P pool may not be quantitatively significant. In fact, our results indicate that some of the P that is interpreted as Fe-bound P based on chemical extraction may in fact be Ca-associated PO4 consisting of a combination of fish debris

Stabilities of thiomolybdate complexes of iron; implications for retention of essential trace elements (Fe, Cu, Mo) in sulfidic waters.

PubMed

Helz, George R; Erickson, Britt E; Vorlicek, Trent P

2014-06-01

In aquatic ecosystems, availabilities of Fe, Mo and Cu potentially limit rates of critical biological processes, including nitrogen fixation, nitrate assimilation and N2O decomposition. During long periods in Earth's history when large parts of the ocean were sulfidic, what prevented these elements' quantitative loss from marine habitats as insoluble sulfide phases? They must have been retained by formation of soluble complexes. Identities of the key ligands are poorly known but probably include thioanions. Here, the first determinations of stability constants for Fe(2+)-[MoS4](2-) complexes in aqueous solution are reported based on measurements of pyrrhotite (hexagonal FeS) solubility under mildly alkaline conditions. Two linear complexes, [FeO(OH)MoS4](3-) and [(Fe2S2)(MoS4)2](4-), best explain the observed solubility variations. Complexes that would be consistent with cuboid cluster structures were less successful, implying that such clusters probably are minor or absent in aqueous solution under the conditions studied. The new data, together with prior data on stabilities of Cu(+)-[MoS4](2-) complexes, are used to explore computationally how competition of Fe(2+) and Cu(+) for [MoS4](2-), as well as competition of [MoS4](2-) and HS(-) for both metals would be resolved in solutions representative of sulfidic natural waters. Thiomolybdate complexes will be most important at sulfide concentrations near the [MoO4](2-)-[MoS4](2-) equivalence point. At lower sulfide concentrations, thiomolybdates are insufficiently stable to be competitive ligands in natural waters and at higher sulfide concentrations HS(-) ligands out-compete thiomolybdates.

Ferromagnetic and photocatalytic behaviors observed in Ca-doped BiFeO3 nanofibres

NASA Astrophysics Data System (ADS)

Feng, Yan-Nan; Wang, Huan-Chun; Luo, Yi-Dong; Shen, Yang; Lin, Yuan-Hua

2013-04-01

Ca-doped BiFeO3 nanofibres have been fabricated by electrospinning method. Our results indicate that phase transition from space group R3c to C222 can be observed by the Ca doping. These BiFeO3 nanofibres show obvious room temperature ferromagnetic behaviors, and saturation magnetization can be enhanced with the Ca-doping concentration increasing, which could be correlated with the variation of the ratio of Fe2+/Fe3+ valence state. The BiFeO3 nanofibres show obvious photocatalytic performance and can be improved by the Ca-doping.

Enhanced magnetic moment in ultrathin Fe-doped CoFe2O4 films

NASA Astrophysics Data System (ADS)

Moyer, J. A.; Vaz, C. A. F.; Kumah, D. P.; Arena, D. A.; Henrich, V. E.

2012-11-01

The effect of film thickness on the magnetic properties of ultrathin Fe-doped cobalt ferrite (Co1-xFe2+xO4) grown on MgO (001) substrates is investigated by superconducting quantum interference device magnetometry and x-ray magnetic linear dichroism, while the distribution of the Co2+ cations between the octahedral and tetrahedral lattice sites is studied with x-ray absorption spectroscopy. For films thinner than 10 nm, there is a large enhancement of the magnetic moment; conversely, the remanent magnetization and coercive fields both decrease, while the magnetic spin axes of all the cations become less aligned with the [001] crystal direction. In particular, at 300 K the coercive fields of the thinnest films vanish. The spectroscopy data show that no changes occur in the cation distribution as a function of film thickness, ruling this out as the origin of the enhanced magnetic moment. However, the magnetic measurements all support the possibility that these ultrathin Fe-doped CoFe2O4 films are transitioning into a superparamagnetic state, as has been seen in ultrathin Fe3O4. A weakening of the magnetic interactions at the antiphase boundaries, leading to magnetically independent domains within the film, could explain the enhanced magnetic moment in ultrathin Fe-doped CoFe2O4 and the onset of superparamagnetism at room temperature.

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.

Co-settling of Chromite and Sulfide Melt Droplets and Trace Element Partitioning between Sulfide and Silicate Melts

NASA Astrophysics Data System (ADS)

Manoochehri, S.; Schmidt, M. W.; Guenther, D.

2013-12-01

Gravitational settling of immiscible, dense sulfide melt droplets together with other cumulate phases such as chromite, combined with downward percolation of these droplets through a cumulate pile, is thought to be one of the possible processes leading to the formation of PGE rich sulfide deposits in layered mafic intrusions. Furthermore some chromitite seams in the Merensky Reef (Bushveld Complex) are considered to be acting as a filter or barrier for further downward percolation of sulfide melts into footwall layers. To investigate the feasibility of such mechanical processes and to study the partitioning behavior of 50 elements including transition metals and REEs (but not PGEs) between a silicate and a sulfide melt, two separate series of high temperature (1250-1380 °C) centrifuge-assisted experiments at 1000 g, 0.4-0.6 GPa were conducted. A synthetic silicate glass with a composition representative of the parental magma of the Bushveld Complex (~ 55 wt% SiO2) was mixed with pure FeS powder. For the first series of experiments, 15 or 25 wt% natural chromite with average grain sizes of ~ 5 or 31 μm were added to a mixture of silicate glass and FeS (10 wt%) adding 1 wt% water. For the second series, a mixture of the same glass and FeS was doped with 50 trace elements. These mixtures were first statically equilibrated and then centrifuged. In the first experimental series, sulfide melt droplets settled together with, but did not segregate from chromite grains even after centrifugation at 1000 g for 12 hours. A change in initial chromite grain size and proportions didn't have any effect on segregation. Without chromite, the starting mixture resulted in the formation of large sulfide melt pools together with finer droplets still disseminated through the silicate glass and both at the bottom of the capsule. The incomplete segregation of sulfide melt is interpreted as being due to high interfacial energies between sulfide and silicate melts/crystals which hinder

Highly improved sensibility and selectivity ethanol sensor of mesoporous Fe-doped NiO nanowires

NASA Astrophysics Data System (ADS)

Li, X. Q.; Wei, J. Q.; Xu, J. C.; Jin, H. X.; Jin, D. F.; Peng, X. L.; Hong, B.; Li, J.; Yang, Y. T.; Ge, H. L.; Wang, Xinqing

2017-12-01

In this paper, nickel oxides (NiO) and iron (Fe)-doped NiO nanowires (NWs) with the various doping content (from 1 to 9 at%) were synthesized by using SBA-15 templates with the nanocasting method. All samples were synthesized in the same conditions and exhibited the same mesoporous-structures, uniform diameter, and defects. Mesoporous-structures with high surface area created more active sites for the adsorption of oxygen on the surface of all samples, resulting in the smaller surface resistance in air. The impurity energy levels from the donor Fe-doping provided electrons to neutralize the holes of p-type Fe-doped NiO NWs, which greatly enhanced the total resistance. The comparative gas-sensing study between NiO NWs and Fe-doped NiO NWs indicated that the high-valence donor Fe-doping obviously improved the ethanol sensitivity and selectivity for Fe-doped NiO NWs. And Ni0.94Fe0.06O1.03 NWs sensor presented the highest sensitivity of 14.30 toward ethanol gas at 320 °C for the high-valence metal-doping.

Magnetic moment evolution and spin freezing in doped BaFe2As2

DOE PAGES

Pelliciari, Jonathan; Huang, Yaobo; Ishii, Kenji; ...

2017-08-14

Fe-K β X-ray emission spectroscopy measurements reveal an asymmetric doping dependence of the magnetic moments μ bare in electron- and hole-doped BaFe 2As 2. At low temperature, μ bare is nearly constant in hole-doped samples, whereas it decreases upon electron doping. Increasing temperature substantially enhances μ bare in the hole-doped region, which is naturally explained by the theoretically predicted crossover into a spin-frozen state. Our measurements demonstrate the importance of Hund’s-coupling and electronic correlations, especially for hole-doped BaFe 2As 2, as well as the inadequacy of a fully localized or fully itinerant description of the 122 family of Fe pnictides.

Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

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

Kaur, Maninder; Qiang, You, E-mail: youqiang@uidaho.edu; Dai, Qilin

2013-11-11

Cr-doped core-shell Fe/Fe-oxide nanoclusters (NCs) were synthesized at varied atomic percentages of Cr from 0 at. % to 8 at. %. The low concentrations of Cr (<10 at. %) were selected in order to inhibit the complete conversion of the Fe-oxide shell to Cr{sub 2}O{sub 3} and the Fe core to FeCr alloy. The magnetic interaction in Fe/Fe-oxide NCs (∼25 nm) can be controlled by antiferromagnetic Cr-dopant. We report the origin of σ-FeCr phase at very low Cr concentration (2 at. %) unlike in previous studies, and the interaction reversal from dipolar to exchange interaction in watermelon-like Cr-doped core-shell NCs.

Phosphorus burial in sediments of the sulfidic deep Black Sea: Key roles for adsorption by calcium carbonate and apatite authigenesis

NASA Astrophysics Data System (ADS)

Kraal, Peter; Dijkstra, Nikki; Behrends, Thilo; Slomp, Caroline P.

2017-05-01

Sedimentary burial of the essential nutrient phosphorus (P) under anoxic and sulfidic conditions is incompletely understood. Here, we use chemical and micro-scale spectroscopic methods to characterize sedimentary P burial along a water column redox transect (six stations, 78-2107 m water depth) in the Black Sea from the shelf with its oxygenated waters to the anoxic and sulfidic deep basin. Organic P is an important P pool under all redox regimes, accounting for up to 60% of P burial. We find a general down-core increase in the relative importance of organic P, especially on the shelf where P bound to iron (Fe) and manganese (Mn) (oxyhydr)oxides is abundant in the uppermost sediment but rapidly declines in concentration with sediment depth. Our chemical and spectroscopic data indicate that the carbonate-rich sediments (Unit I, ∼3000 years, ∼0-30 cm depth) of the sulfidic deep Black Sea contain three major P pools: calcium phosphate (apatite), organic P and P that is strongly associated with CaCO3 and possibly clay surfaces. Apatite concentrations increase from 5% to 25% of total P in the uppermost centimeters of the deep basin sediments, highlighting the importance of apatite formation for long-term P burial. Iron(II)-associated P (ludlamite) was detected with X-ray absorption spectroscopy but was shown to be a minor P pool (∼5%), indicating that lateral Fe-P transport from the shelf ("shuttling") likely occurs but does not impact the P burial budget of the deep Black Sea. The CaCO3-P pool was relatively constant throughout the Unit I sediment interval and accounted for up to 55% of total P. Our results highlight that carbonate-bound P can be an important sink for P in CaCO3-rich sediments of anoxic, sulfidic basins and should also be considered as a potential P sink (and P source in case of CaCO3 dissolution) when reconstructing past ocean P dynamics from geological records.

Photocatalytic activity of Fe-doped CaTiO₃ under UV-visible light.

PubMed

Yang, He; Han, Chong; Xue, Xiangxin

2014-07-01

The photocatalytic degradation of methylene blue (MB) over Fe-doped CaTiO₃ under UV-visible light was investigated. The as-prepared samples were characterized using X-ray diffraction (XRD), scanning electron microscope (SEM) equipped with an energy dispersive spectrometer (EDS) system, Fourier transform infrared spectra (FT-IR), and UV-visible diffuse reflectance spectroscopy (DRS). The results show that the doping with Fe significantly promoted the light absorption ability of CaTiO₃ in the visible light region. The Fe-doped CaTiO₃ exhibited higher photocatalytic activity than CaTiO₃ for the degradation of MB. However, the photocatalytic activity of the Fe-doped CaTiO₃ was greatly influenced by the calcination temperature during the preparation process. The Fe-doped CaTiO₃ prepared at 500°C exhibited the best photocatalytic activity, with degradation of almost 100% MB (10ppm) under UV-visible light for 180 min. Copyright © 2014. Published by Elsevier B.V.

Improving the selective cancer killing ability of ZnO nanoparticles using Fe doping.

PubMed

Thurber, Aaron; Wingett, Denise G; Rasmussen, John W; Layne, Janet; Johnson, Lydia; Tenne, Dmitri A; Zhang, Jianhui; Hanna, Charles B; Punnoose, Alex

2012-06-01

This work reports a new method to improve our recent demonstration of zinc oxide (ZnO) nanoparticles (NPs) selectively killing certain human cancer cells, achieved by incorporating Fe ions into the NPs. Thoroughly characterized cationic ZnO NPs (∼6 nm) doped with Fe ions (Zn(1-x )Fe (x) O, x = 0-0.15) were used in this work, applied at a concentration of 24 μg/ml. Cytotoxicity studies using flow cytometry on Jurkat leukemic cancer cells show cell viability drops from about 43% for undoped ZnO NPs to 15% for ZnO NPs doped with 7.5% Fe. However, the trend reverses and cell viability increases with higher Fe concentrations. The non-immortalized human T cells are markedly more resistant to Fe-doped ZnO NPs than cancerous T cells, confirming that Fe-doped samples still maintain selective toxicity to cancer cells. Pure iron oxide samples displayed no appreciable toxicity. Reactive oxygen species generated with NP introduction to cells increased with increasing Fe up to 7.5% and decreased for >7.5% doping.

Structural, Optical, and Electronic Characterization of Fe-Doped Alumina Nanoparticles

NASA Astrophysics Data System (ADS)

Heiba, Zein K.; Mohamed, Mohamed Bakr; Wahba, Adel Maher; Imam, N. G.

2018-01-01

The effects of iron doping on the structural, optical, and electronic properties of doped alumina have been studied. Single-phase iron-doped alumina Al2- x Fe x O3 ( x = 0.00 to 0.30) nanoparticles were synthesized via citrate-precursor method. Formation of single-phase hexagonal corundum structure with no other separate phases was demonstrated by x-ray diffraction (XRD) analysis and Fourier-transform infrared spectroscopy. The effects of iron doping on the α-Al2O3 structural parameters, viz. atomic coordinates, lattice parameters, crystallite size, and microstrain, were estimated from XRD data by applying the Rietveld profile fitting method. Transmission electron microscopy further confirmed the nanosize nature of the prepared samples with size ranging from 12 nm to 83 nm. The electronic band structure was investigated using density functional theory calculations to explain the decrease in the energy gap of Al2- x Fe x O3 as the amount of Fe was increased. The colored emission peaks in the visible region (blue, red, violet) of the electromagnetic spectrum obtained for the Fe-doped α-Al2O3 nanoparticles suggest their potential application as ceramic nanopigments.

Molecular adsorption of hydrogen peroxide on N- and Fe-doped titania nanoclusters

NASA Astrophysics Data System (ADS)

Mohajeri, Afshan; Dashti, Nasimeh Lari

2017-06-01

Titanium dioxide (titania) nanoparticles have been extensively investigated for photocatalytic applications such as the decomposition and adsorption of pollutant and undesirable compound in air and waste water. In this context, the present article reports the molecular adsorption of hydrogen peroxide on the surface of doped titania clusters. Density functional theory calculations were performed to investigate the structures and electronic properties of two nanoscale (TiO2)n clusters (n = 5,6) modified by nitrogen and iron dopants. The relative stability of all possible N-doped and Fe-doped isomers has been compared with each other and with the parent cluster. It was found that the Fe-doped clusters are in general more stable than the N-doped counterparts. Moreover, after N/Fe doping an enhanced in the magnetization of the clusters is observed. In the second part, we have investigated different modes of H2O2 adsorption on the lowest-energy isomers of doped clusters. In almost all the cases, the adsorptions on the doped clusters are found to be less exothermic than on the corresponding undoped parent cluster. Our results highlight the essential role of charge transfer into the interaction between H2O2 and doped (TiO2)n clusters, especially for Fe-doped clusters.

Ab initio study of phonon dispersion and thermodynamic properties of pure and doped pyrites

NASA Astrophysics Data System (ADS)

Musari, Abolore A.; Joubert, Daniel P.; Olowofela, Joseph A.; Akinwale, Adio T.; Adebayo, Gboyega A.

2017-12-01

Pyrites (FeS2) are solid minerals that are found abundantly in Nigeria and are easy to prepare in laboratories. In this work, FeS2 is studied extensively in its pure state as well as when iron is substitutionally doped with zinc and calcium at concentrations of 0, 0.25, 0.5, 0.75 and 1. Using density functional theory, the eectronic, dynamic and thermodynamic properties were calculated. The results revealed that the lattice parameters and bulk modulus increases with increasing concentration and the obtained values are in agreement with available experimental and theoretical values. Though pyrite, when doped with zinc, obeys Vegard's law, doping with calcium revealed pronounced deviation from this law. The calculated band structures showed that FeS2 has an indirect band gap whose size decreases after introducing zinc while doping with calcium increases the band gap. The phonon dispersion of the end members FeS2 and ZnS2 indicate that the systems are dynamically stable while CaS2 is dynamically unstate. Also, the thermodynamic properties of the pure and doped pyrites were calculated and the ranges of temperature at which the lattice and electronic degrees of freedom contribute to the specific heat capacity are presented.

MIL-100-Fe derived N-doped Fe/Fe3C@C electrocatalysts for efficient oxygen reduction reaction

NASA Astrophysics Data System (ADS)

Guo, Dakai; Han, Sancan; Wang, Jiacheng; Zhu, Yufang

2018-03-01

N-doped porous Fe/Fe3C@C electrocatalysts were prepared by the pyrolysis of the hexamethylenetetramine (HMT)-incorporated MIL-100-Fe at different temperatures (700-1000 °C) under N2 atmosphere. Rotary evaporation of MIL-100-Fe and HMT solution could make more N-enriched HMT molecules enter into the pores of MIL-100-Fe, thus improving nitrogen contents of the final pyrolyzed samples. All pyrolyzed samples show porous textures with middle specific surface areas. The X-ray photoelectron spectroscopy (XPS) results demonstrate the successful introduction of N atoms into carbon framework. Sample Fe-N2-800 prepared by annealing the precursors with the HMT/MIL-100-Fe weight ratio of 2 at 800 °C exhibits the best electrocatalytic activity towards the oxygen reduction reaction (ORR) in terms of onset potential and current density because of high graphitic N and pyridinic N content. The enwrapped Fe/Fe3C nanoparticles and Fe-Nx active sites in these samples could also boost the ORR activity synergistically. Moreover, sample Fe-N2-800 demonstrates a dominant four electron reduction process, as well as excellent long-term operation stability and methanol crossover resistance. Thus, the N-doped Fe/Fe3C@C composites derived from the HMT-incorporated MIL-100-Fe are promising electrocatalysts to replace Pt/C for ORR in practical applications.

Transition-metal doped sulfide, selenide, and telluride laser crystal and lasers

DOEpatents

Krupke, W.F.; Page, R.H.; DeLoach, L.D.; Payne, S.A.

1996-07-30

A new class of solid state laser crystals and lasers are formed of transition metal doped sulfide, selenide, and telluride host crystals which have four fold coordinated substitutional sites. The host crystals include II-VI compounds. The host crystal is doped with a transition metal laser ion, e.g., chromium, cobalt or iron. In particular, Cr{sup 2+}-doped ZnS and ZnSe generate laser action near 2.3 {micro}m. Oxide, chloride, fluoride, bromide and iodide crystals with similar structures can also be used. Important aspects of these laser materials are the tetrahedral site symmetry of the host crystal, low excited state absorption losses and high luminescence efficiency, and the d{sup 4} and d{sup 6} electronic configurations of the transition metal ions. The same materials are also useful as saturable absorbers for passive Q-switching applications. The laser materials can be used as gain media in amplifiers and oscillators; these gain media can be incorporated into waveguides and semiconductor lasers. 18 figs.

Transition-metal doped sulfide, selenide, and telluride laser crystal and lasers

DOEpatents

Krupke, William F.; Page, Ralph H.; DeLoach, Laura D.; Payne, Stephen A.

1996-01-01

A new class of solid state laser crystals and lasers are formed of transition metal doped sulfide, selenide, and telluride host crystals which have four fold coordinated substitutional sites. The host crystals include II-VI compounds. The host crystal is doped with a transition metal laser ion, e.g., chromium, cobalt or iron. In particular, Cr.sup.2+ -doped ZnS and ZnSe generate laser action near 2.3 .mu.m. Oxide, chloride, fluoride, bromide and iodide crystals with similar structures can also be used. Important aspects of these laser materials are the tetrahedral site symmetry of the host crystal, low excited state absorption losses and high luminescence efficiency, and the d.sup.4 and d.sup.6 electronic configurations of the transition metal ions. The same materials are also useful as saturable absorbers for passive Q-switching applications. The laser materials can be used as gain media in amplifiers and oscillators; these gain media can be incorporated into waveguides and semiconductor lasers.

Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals

NASA Astrophysics Data System (ADS)

Muhammad, Zahir; Lv, Haifeng; Wu, Chuanqiang; Habib, Muhammad; Rehman, Zia ur; Khan, Rashid; Chen, Shuangming; Wu, Xiaojun; Song, Li

2018-04-01

Two dimensional (2D) layered magnetic materials have obtained much attention due to their intriguing properties with a potential application in the field of spintronics. Herein, room-temperature ferromagnetism with 0.2 emu g‑1 magnetic moment is realized in Fe-doped ZrS2 single crystals of millimeter size, in comparison with diamagnetic behaviour in ZrS2. The electron paramagnetic resonance spectroscopy reveals that 5.2wt% Fe-doping ZrS2 crystal exhibit high spin value of g-factor about 3.57 at room temperature also confirmed this evidence, due to the unpaired electrons created by doped Fe atoms. First principle static electronic and magnetic calculations further confirm the increased stability of long range ferromagnetic ordering and enhanced magnetic moment in Fe-doped ZrS2, originating from the Fe spin polarized electron near the Fermi level.

Controlling ferromagnetism of (In,Fe)As semiconductors by electron doping

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

Dang Vu, Nguyen; Fukushima, Tetsuya; Katayama-Yoshida, Hiroshi

2014-02-21

Based on experimental results, using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method and Monte Carlo simulation, we study the mechanism of ferromagnetic behavior of (In,Fe)As. We show that with doped Be atoms occupying in interstitial sites, chemical pair interactions between atoms and magnetic exchange interactions between Fe atoms change due to electron concentration. Therefore, by controlling the doping process, magnetic behavior of (In,Fe)As is controlled and ferromagnetism is observed in this semiconductor.

Oxidation sulfidation resistance of Fe-Cr-Ni alloys

DOEpatents

Natesan, Ken; Baxter, David J.

1984-01-01

High temperature resistance of Fe-Cr-Ni alloy compositions to oxidative and/or sulfidative conditions is provided by the incorporation of about 1-8 wt. % of Zr or Nb and results in a two-phase composition having an alloy matrix as the first phase and a fine grained intermetallic composition as the second phase. The presence and location of the intermetallic composition between grains of the matrix provides mechanical strength, enhanced surface scale adhesion, and resistance to corrosive attack between grains of the alloy matrix at temperatures of 500.degree.-1000.degree. C.

Infrared Optical Absorption in Low-spin Fe2+-doped SrTiO3

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

Comes, Ryan B.; Kaspar, Tiffany C.; Heald, Steve M.

2016-01-06

Band gap engineering in SrTiO3 and related titanate perovskites has long been explored due to the intriguing properties of the materials for photocatalysis and photovoltaic applications. A popular approach in the materials chemistry community is to substitutionally dope aliovalent transition metal ions onto the B site in the lattice to alter the valence band. However, in such a scheme there is limited control over the dopant valence, and compensating defects often form. Here we demonstrate a novel technique to controllably synthesize Fe2+- and Fe3+-doped SrTiO3 thin films without formation of compensating defects by co-doping with La3+ ions on the Amore » site. We stabilize Fe2+-doped films by doping with two La ions for every Fe dopant, and find that the Fe ions exhibit a low-spin electronic configuration, producing optical transitions in the near infrared regime and degenerate doping. The novel electronic states observed here offer a new avenue for band gap engineering in perovskites for photocatalytic and photovoltaic applications.« less

Photoluminescence studies on holmium (III) and praseodymium (III) doped calcium borophosphate (CBP) phosphors

NASA Astrophysics Data System (ADS)

Reddy Prasad, V.; Damodaraiah, S.; Devara, S. N.; Ratnakaram, Y. C.

2018-05-01

Using solid state reaction method, Ho3+ and Pr3+ doped calcium borophosphate (CBP) phosphors were prepared. These phosphors were characterized using XRD, SEM, FT-IR, 31P solid state NMR, photoluminescence (PL) and decay profiles. Structural details were discussed from XRD and FT-IR spectra. From 31P NMR spectra of these phosphors, mono-phosphate complexes Q0-(PO43-) were observed. Photoluminescence spectra were measured for both Ho3+ and Pr3+ doped calcium borophosphate phosphors and the spectra were studied for different concentrations. Decay curves were obtained for the excited level, 5F4+5S2 of Ho3+ and 1D2 level of Pr3+ in these calcium borophosphate phosphors and lifetimes were measured. CIE color chromaticity diagrams are drawn for these two rare earth ions in calcium borophosphate phosphors. Results show that Ho3+ and Pr3+ doped CBP phosphors might be served as green and red luminescence materials.

The Search for Interstellar Sulfide Grains

NASA Technical Reports Server (NTRS)

Keller, Lindsay P.; Messenger, Scott

2010-01-01

The lifecycle of sulfur in the galaxy is poorly understood. Fe-sulfide grains are abundant in early solar system materials (e.g. meteorites and comets) and S is highly depleted from the gas phase in cold, dense molecular cloud environments. In stark contrast, sulfur is essentially undepleted from the gas phase in the diffuse interstellar medium, indicating that little sulfur is incorporated into solid grains in this environment. It is widely believed that sulfur is not a component of interstellar dust grains. This is a rather puzzling observation unless Fe-sulfides are not produced in significant quantities in stellar outflows, or their lifetime in the ISM is very short due to rapid destruction. Fe sulfide grains are ubiquitous in cometary samples where they are the dominant host of sulfur. The Fe-sulfides (primarily pyrrhotite; Fe(1-x)S) are common, both as discrete 0.5-10 micron-sized grains and as fine (5-10 nm) nanophase inclusions within amorphous silicate grains. Cometary dust particles contain high abundances of well-preserved presolar silicates and organic matter and we have suggested that they should contain presolar sulfides as well. This hypothesis is supported by the observation of abundant Fe-sulfides grains in dust around pre- and post-main sequence stars inferred from astronomical spectra showing a broad 23 micron IR feature due to FeS. Fe-sulfide grains also occur as inclusions in bona fide circumstellar amorphous silicate grains and as inclusions within deuterium-rich organic matter in cometary dust samples. Our irradiation experiments show that FeS is far more resistant to radiation damage than silicates. Consequently, we expect that Fe sulfide stardust should be as abundant as silicate stardust in solar system materials.

Size Dependence of Doping by a Vacancy Formation Reaction in Copper Sulfide Nanocrystals

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

Elimelech, Orian; Liu, Jing; Plonka, Anna M.

Doping of nanocrystals (NCs) is a key, yet underexplored, approach for tuning of the electronic properties of semiconductors. An important route for doping of NCs is by vacancy formation. The size and concentration dependence of doping was studied in copper(I) sulfide (Cu2S) NCs through a redox reaction with iodine molecules (I2), which formed vacancies accompanied by a localized surface plasmon response. X-ray spectroscopy and diffraction reveal transformation from Cu2S to Cu-depleted phases, along with CuI formation. Greater reaction efficiency was observed for larger NCs. This behavior is attributed to interplay of the vacancy formation energy, which decreases for smaller sizedmore » NCs, and the growth of CuI on the NC surface, which is favored on well-defined facets of larger NCs. This doping process allows tuning of the plasmonic properties of a semiconductor across a wide range of plasmonic frequencies by varying the size of NCs and the concentration of iodine. Controlled vacancy doping of NCs may be used to tune and tailor semiconductors for use in optoelectronic applications.« less

Synthesis and Photoluminescence of Single-Crystalline Fe(III)-Doped CdS Nanobelts.

PubMed

Kamran, Muhammad Arshad; Zou, Bingsuo; Majid, A; Alharbil, Thamer; Saeed, M A; Abdullah, Ali; Javed, Qurat-ul-ain

2016-04-01

In this paper, we report the synthesis and optical properties of Fe(III) doped CdS nanobelts (NBs) via simple Chemical Vapor Deposition (CVD) technique to explore their potential in nano-optics. The energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD) analysis manifested the presence of Fe(III) ions in the NBs subsequently confirmed by the peak shifting to lower phonon energies as recorded by Raman spectra and shorter lifetime in ns. Photoluminescence (PL) spectrum investigations of the single Fe(III)-doped CdS NBs depicted an additional PL peak centered at 573 nm (orange emission) in addition to the bandedge(BE) emission. The redshift and decrease in the BE intensity of the PL peaks, as compared to the bulk CdS, confirmed the quenching of spectra upon Fe doping. The synthesis and orange emission for Fe-doped CdS NBs have been observed for the first time and point out their potential in nanoscale devices.

Towards understanding the electronic structure of Fe-doped CeO2 nanoparticles with X-ray spectroscopy.

PubMed

Wang, Wei-Cheng; Chen, Shih-Yun; Glans, Per-Anders; Guo, Jinghua; Chen, Ren-Jie; Fong, Kang-Wei; Chen, Chi-Liang; Gloter, Alexandre; Chang, Ching-Lin; Chan, Ting-Shan; Chen, Jin-Ming; Lee, Jyh-Fu; Dong, Chung-Li

2013-09-21

This study reports on the electronic structure of Fe-doped CeO2 nanoparticles (NPs), determined by coupled X-ray absorption spectroscopy and X-ray emission spectroscopy. A comparison of the local electronic structure around the Ce site with that around the Fe site indicates that the Fe substitutes for the Ce. The oxygen K-edge spectra that originated from the hybridization between cerium 4f and oxygen 2p states are sensitive to the oxidation state and depend strongly on the concentration of Fe doping. The Ce M(4,5)-edges and the Fe L(2,3)-edges reveal the variations of the charge states of Ce and Fe upon doping, respectively. The band gap is further obtained from the combined absorption-emission spectrum and decreased upon Fe doping, implying Fe doping introduces vacancies. The oxygen vacancies are induced by Fe doping and the spectrum reveals the charge transfer between Fe and Ce. Fe(3+) doping has two major effects on the formation of ferromagnetism in CeO2 nanoparticles. The first, at an Fe content of below 5%, is that the formation of Fe(3+)-Vo-Ce(3+) introduces oxygen deficiencies favoring ferromagnetism. The other, at an Fe content of over 5%, is the formation of Fe(3+)-Vo-Fe(3+), which favors antiferromagnetism, reducing the Ms. The defect structures Fe(3+)-Vo-Ce(3+) and Fe(3+)-Vo-Fe(3+) are crucial to the magnetism in these NPs and the change in Ms can be described as the effect of competitive interactions of magnetic polarons and paired ions.

Uranium accumulation in modern and ancient Fe-oxide sediments: Examples from the Ashadze-2 hydrothermal sulfide field (Mid-Atlantic Ridge) and Yubileynoe massive sulfide deposit (South Urals, Russia)

NASA Astrophysics Data System (ADS)

Ayupova, N. R.; Melekestseva, I. Yu.; Maslennikov, V. V.; Tseluyko, A. S.; Blinov, I. A.; Beltenev, V. E.

2018-05-01

Fe-oxyhydroxide sediments (gossans) from the Ashadze-2 hydrothermal sulfide field (Mid-Atlantic Ridge) and hematite-carbonate-quartz rocks (gossanites) from the Yubileynoe Cu-Zn VHMS deposit (South Urals) are characterized by anomalously high U contents (up to 352 ppm and 73 ppm, respectively). In gossans from the Ashadze-2 hydrothermal sulfide field, rare isometric anhedral uraninite grains (up to 2 μm) with outer P- and Ca-rich rims, and numerous smaller (<1 μm) grains, occur in Fe-oxyhydroxides and sepiolite, associated with pyrite, isocubanite, chalcopyrite, galena, atacamite and halite. In gossanites from the Yubileynoe deposit, numerous uraninite particles (<3 μm) are associated with apatite, V-rich Mg-chlorite, micro-nodules of pyrite, Se-bearing galena, hessite and acanthite in a hematite-carbonate-quartz matrix. Small (1-3 μm) round grains of uraninite, which locally coalesce to large grains up to 10 μm in size, are associated with authigenic chalcopyrite. The similar diagenetic processes of U accumulation in modern and ancient Fe-oxyhydroxide sediments were the result of U fixation from seawater during the oxidation of sulfide minerals. Uraninite in gossanites was mainly deposited from diagenetic pore fluids, which circulated in the sulfide-hyaloclast-carbonate sediments.

Origin and fate of sulfide liquids in hotspot volcanism (La Réunion): Pb isotope constraints from residual Fe-Cu oxides

NASA Astrophysics Data System (ADS)

Vlastélic, I.; Gannoun, A.; Di Muro, A.; Gurioli, L.; Bachèlery, P.; Henot, J. M.

2016-12-01

Immiscible sulfide liquids in basaltic magmas play an important role in trace metal transport and the sulfur budget of volcanic eruptions. However, sulfides are transient phases, whose origin and fate are poorly constrained. We address these issues by analyzing sulfide destabilization products preserved in lavas from La Réunion Island. Iron oxide globules and coatings, typically 20-80 μm in size, were found to occur in vesicles of differentiated lavas from Piton des Neiges, and recent pumice samples from Piton de la Fournaise. Field and mineralogical evidence indicates that the iron oxides are syn-eruptive phases not resulting from hydrothermal processes. Samples were first studied by Scanning Electron Microscopy. The globules were separated, whereas the smaller spherules and coatings were concentrated by magnetic sorting and acid leaching, and samples were processed through wet chemistry. The Fe oxide phases comprise 49-74 wt.% Fe, 26-40 wt.% O, and up to 6 wt.% Cu, 811 ppm Ni, 140 ppm Bi, and 8.5 ppm Pb. Compared to the host lava, Cu, Ni, and Bi are enriched by a factor of 101-103. Systematic Pb isotope disequilibrium (between 500 ppm and 2.9% for 206Pb/204Pb) exists between Fe oxides and host rocks, with Fe oxides generally displaying less radiogenic ratios. Unradiogenic Pb is a typical signature of sulfide, which tends to concentrate Pb, but not its parent elements U and Th. Thus, both the chemical and isotopic compositions of the vesicle-hosted Fe oxides suggest that they are more or less direct products of the destabilization of immiscible sulfide liquids. Although Pb dominantly partitions into the gas phase during sulfide breakdown, the original Pb isotope signature of sulfide is preserved in the residual oxide. The composition estimated for the parent sulfides (206Pb/204Pb = 18.20-18.77, 207Pb/204Pb = 15.575, and 208Pb/204Pb = 38.2-38.8) precludes a genetic link with the La Réunion plume, and suggests a lithospheric or crustal origin. It is estimated

Evolution of Spin fluctuations in CaFe2As2 with Co-doping.

NASA Astrophysics Data System (ADS)

Sapkota, A.; Das, P.; Böhmer, A. E.; Abernathy, D. L.; Canfield, P. C.; Kreyssig, A.; McQueeney, R. J.; Goldman, A. I.

Spin fluctuations are an essential ingredient for superconductivity in Fe-based supercondcutors. In Co-doped BaFe2As2, the system goes from the antiferromagnetic (AFM) state to the superconducting (SC) state with Co doping, and the spin fluctuations also evolve from well-defined spin waves with spin gap in the AFM regime to gapless overdamped or diffused fluctuations in the SC regime. CaFe2As2 has a stronger magneto-elastic coupling than BaFe2As2 and no co-existence of SC and AFM region as observed in BaFe2As2 with Co doping. Here, we will discuss the evolution of spin fluctuations in CaFe2As2 with Co doping. Work at the Ames Laboratory was supported by US DOE, Basic Energy Sciences, Division of Material Sciences and Engineering, under contract No. DE-AC02-07CH11358. This research used resources of SNS, a DOE office of science user facility operated by ORNL.

Magnetism mediated by a majority of [Fe³⁺ + VO²⁻] complexes in Fe-doped CeO₂ nanoparticles.

PubMed

Paidi, V K; Ferreira, N S; Goltz, D; van Lierop, J

2015-08-26

We examine the role of Fe(3+) and vacancies (V(O)) on the magnetism of Fe-doped CeO2 nanoparticles. Magnetic nanoparticles of Ce(100-x)Fe(x)O2 (x  =  0, 0.26, 1.82, 2.64, 5.26, 6.91, and 7.22) were prepared by a co-precipitation method, and their structural, compositional and magnetic properties were investigated. The CeO2 nanoparticles had a mixed valance of Ce(4+) and Ce(3+) ions, and doping introduced Fe(3+) ions. The decrease in Ce(3+) and increase in Fe(3+) concentrations indicated the presence of more [Fe(3+) + V(O)(2-)] complexes with Fe loading in the particles. Charge neutralization, Fe(3+) + V(O)(2-) + 2Ce(4+) ↔ 2Ce(3+) + Fe(3+), identified the impact of V(O) on the magnetism, where our results suggest that the Fe-doped CeO2 nanoparticle magnetism is mediated by a majority of [Fe(3+) + V(O)(2-)]-Ce(3+) -[Fe(3+) + V(O)(2-)] complexes.

Magnetic anomalies in Fe-doped NiO nanoparticle

NASA Astrophysics Data System (ADS)

Pradeep, R.; Gandhi, A. C.; Tejabhiram, Y.; Mathar Sahib, I. K. Md; Shimura, Y.; Karmakar, L.; Das, D.; Wu, Sheng Yun; Hayakawa, Y.

2017-09-01

Undoped and iron-doped NiO nanoparticle were synthesized by standard hydrothermal method. A detailed study is carried out on the effect of dopant concentration on morphology, structural, resonance and magnetic properties of NiO nanoparticle by varying the Fe concentration from 0.01 to 0.10 M. The synchrotron-x-ray diffraction confirmed that no secondary phase was observed other than NiO. The x-ray photoelectron spectroscopy studies revealed that, Fe was primarily in the trivalent state, replacing the Ni2+ ion inside the octahedral crystal site of NiO. The Electron paramagnetic studies revealed the ferromagnetic cluster formation at high doping concentration (5 and 10%). The ZFC-FC curves displayed an average blocking temperature around 180 K due to particle size distribution. The anomalous behaviour of spontaneous exchange bias (H SEB) and magnetic remanence (M r) for all Fe-doped samples observed at 5 K showed an increase (0.1316-0.1384 emu g-1) in the moment of frozen spin (M p) as the dopant concentration increased. The role of frozen spin moment in spontaneous exchange bias behaviour was discussed.

Magnetic and dielectric study of Fe-doped CdSe nanoparticles

NASA Astrophysics Data System (ADS)

Das, Sayantani; Banerjee, Sourish; Bandyopadhyay, Sudipta; Sinha, Tripurari Prasad

2018-01-01

Nanoparticles of cadmium selenide (CdSe) and Fe (5% and 10%) doped CdSe have been synthesized by soft chemical route and found to have cubic structure. The magnetic field dependent magnetization measurement of the doped samples indicates the presence of anti-ferromagnetic order. The temperature dependent magnetization (M-T) measurement under zero field cooled and field cooled conditions has also ruled out the presence of ferromagnetic component in the samples at room temperature as well as low temperature. In order to estimate the anti-ferromagnetic coupling among the doped Fe atoms, an M-T measurement at 500 Oe has been carried out, and the Curie-Weiss temperature θ of the samples has been estimated from the inverse of susceptibility versus temperature plots. The dielectric relaxation peaks are observed in the spectra of imaginary part of dielectric constant. The temperature dependent relaxation time is found to obey the Arrhenius law having activation energy 0.4 eV for Fe doped samples. The frequency dependent conductivity spectra are found to obey the power law. [Figure not available: see fulltext.

Structural properties of Fe-doped lanthanum gallate

NASA Astrophysics Data System (ADS)

Mori, Kazuhiro; Fukunaga, Toshiharu; Shibata, Koji; Iwase, Kenji; Harjo, Stefanus; Hoshikawa, Akinori; Itoh, Keiji; Kamiyama, Takashi; Ishigaki, Toru

2004-10-01

Structural characteristics of Fe-doped LaGaO3-δ were studied by differential scanning calorimeter, neutron and high-temperature X-ray powder diffraction measurements. It was found that a phase transition temperature increases in proportion to an amount of Fe. The crystal structure could be described as a low-temperature orthorhombic phase (Pnma) and a high-temperature rhombohedral one (R 3 bar c), respectively. Lattice parameters and bond lengths between M (=Ga/Fe) and O are monotonically expand with increasing Fe-content on both orthorhombic and rhombohedral phases. This means that a substitution of Ga3+ with Fe3+ leads to an electronic configuration of t2g3eg2 (high-spin state, HS).

Improved oxidation sulfidation resistance of Fe-Cr-Ni alloys

DOEpatents

Natesan, K.; Baxter, D.J.

1983-07-26

High temperature resistance of Fe-Cr-Ni alloy compositions to oxidative and/or sulfidative conditions is provided by the incorporation of about 1 to 8 wt % of Zr or Nb and results in a two-phase composition having an alloy matrix as the first phase and a fine grained intermetallic composition as the second phase. The presence and location of the intermetallic composition between grains of the matrix provides mechanical strength, enhanced surface scale adhesion, and resistance to corrosive attack between grains of the alloy matrix at temperatures of 500 to 1000/sup 0/C.

Fabrication and magnetic properties of Fe and Co co-doped ZrO2

NASA Astrophysics Data System (ADS)

Okabayashi, J.; Kono, S.; Yamada, Y.; Nomura, K.

2011-12-01

We investigate the effects of Fe and Co co-doping on the magnetic and electronic properties of ZrO2 ceramics prepared by a sol-gel method, and study their dependence on the annealing temperature. Dilute Fe and Co co-doping into ZrO2 exhibits ferromagnetic behavior at room temperature for annealing temperatures above 900 °C, accompanying the phase transition from tetragonal to monoclinic structure in ZrO2. The electronic structures are studied by x-ray absorption spectroscopy and Mössbauer spectroscopy, which suggest that the Fe3+ and Co2+/Co3+ mixing states are dominant in Fe and Co co-doped ZrO2.

Tunable magnetism of 3d transition metal doped BiFeO3

NASA Astrophysics Data System (ADS)

Lu, S.; Li, C.; Zhao, Y. F.; Gong, Y. Y.; Niu, L. Y.; Liu, X. J.; Wang, T.

2017-10-01

Electronic polarization or bond relaxation can effectively alter the electronic and magnetic behavior of materials by doping impurity atom. For this aim, the thermodynamic, electronic and magnetic performances of cubic BiFeO3 have been modulated by the 3d transition metal (TM) dopants (Sc, Ti, V, Cr, Mn, Co, Ni, Cu and Zn) based on the density functional theory. Results show that the doped specimen with low impurity concentration is more stable than that with high impurity concentration. The Mulliken charge values and spin magnetic moments of TM element are making major changes, while those of all host atoms are making any major changes. Especially, it is the linear relation between the spin magnetic moments of TM dopants and the total magnetic moment of doped specimens; thus, the variations of total magnetic moment of doped specimens are decided by the spin magnetic moments of TM dopants, thought the total magnetic moments of doped specimens mainly come from Fe atom and TM dopants. Besides, as double TM atoms substitution the Fe atoms, the Sc-, Ti-, Mn-, Co- and Zn-doped specimens show AFM state, while the V-, Cr-, Ni- and Cu-doped specimens show FM state.

Metal Doping Effect of the M-Co2P/Nitrogen-Doped Carbon Nanotubes (M = Fe, Ni, Cu) Hydrogen Evolution Hybrid Catalysts.

PubMed

Pan, Yuan; Liu, Yunqi; Lin, Yan; Liu, Chenguang

2016-06-08

The enhancement of catalytic performance of cobalt phosphide-based catalysts for the hydrogen evolution reaction (HER) is still challenging. In this work, the doping effect of some transition metal (M = Fe, Ni, Cu) on the electrocatalytic performance of the M-Co2P/NCNTs (NCNTs, nitrogen-doped carbon nanotubes) hybrid catalysts for the HER was studied systematically. The M-Co2P/NCNTs hybrid catalysts were synthesized via a simple in situ thermal decomposition process. A series of techniques, including X-ray diffraction, X-ray photoelectron spectroscopy, inductively coupled plasma-optical emission spectrometry, transmission electron microscopy, and N2 sorption were used to characterize the as-synthesized M-Co2P/NCNTs hybrid catalysts. Electrochemical measurements showed the catalytic performance according to the following order of Fe-Co2P/NCNTs > Ni-Co2P/NCNTs > Cu-Co2P/NCNTs, which can be ascribed to the difference of structure, morphology, and electronic property after doping. The doping of Fe atoms promote the growth of the [111] crystal plane, resulting in a large specific area and exposing more catalytic active sites. Meanwhile, the Fe(δ+) has the highest positive charge among all the M-Co2P/NCNTs hybrid catalysts after doping. All these changes can be used to contribute the highest electrocatalytic activity of the Fe-Co2P/NCNTs hybrid catalyst for HER. Furthermore, an optimal HER electrocatalytic activity was obtained by adjusting the doping ratio of Fe atoms. Our current research indicates that the doping of metal is also an important strategy to improve the electrocatalytic activity for the HER.

Fe(III):S(-II) concentration ratio controls the pathway and the kinetics of pyrite formation during sulfidation of ferric hydroxides

NASA Astrophysics Data System (ADS)

Wan, Moli; Schröder, Christian; Peiffer, Stefan

2017-11-01

The formation of pyrite has been extensively studied because of its abundance in many anoxic environments. Yet, there is no consensus on the underlying pathways and kinetics of its formation. We studied the formation of pyrite during the reaction between reactive ferric hydroxides (goethite and lepidocrocite) and aqueous sulfide in an anoxic glove box at neutral pH. The formation of pyrite was monitored with Mössbauer spectroscopy using 57Fe isotope-enriched ferric (hydr)oxides. The initial molar ratios of Fe(III):S(-II) were adjusted to be 'high' with Fe(III) concentrations in excess of sulfide (HR) and 'low' (LR) with excess of sulfide. Approximately the same surface area was applied in all HR runs in order to compare the mineral reactivity of ferric hydroxides. Electron transfer between aqueous sulfide and ferric hydroxides in the first 2 h led to the formation of ferrous iron and methanol-extractable oxidized sulfur (MES). Metastable FeSx formed in all of the experiments. Pyrite formed at a different rate in HR and LR runs although the MES and ferrous iron concentrations were rather similar. In all HR runs, pyrite formation started after 48 h and achieved a maximum concentration after 1 week. In contrast, pyrite started to form only after 2 months in LR runs (Fe(III):S(-II) ∼ 0.2) with goethite and no pyrite formation was observed in LR with lepidocrocite after 6 months. Rates in LR runs were at least 2-3 orders of magnitude slower than in HR runs. Sulfide oxidation rates were higher with lepidocrocite than with goethite, but no influence of the mineral type on pyrite formation rates in HR runs could be observed. Pyrite formation rates in HR runs could not be predicted by the classical model of Rickard (1975). We therefore propose a novel ferric-hydroxide-surface (FHS) pathway for rapid pyrite formation that is based on the formation of a precursor species >FeIIS2-. Its formation is competitive to FeSx precipitation at high aqueous sulfide concentrations and

Anomalous correlation effects and unique phase diagram of electron-doped FeSe revealed by photoemission spectroscopy

PubMed Central

Wen, C. H. P.; Xu, H. C.; Chen, C.; Huang, Z. C.; Lou, X.; Pu, Y. J.; Song, Q.; Xie, B. P.; Abdel-Hafiez, Mahmoud; Chareev, D. A.; Vasiliev, A. N.; Peng, R.; Feng, D. L.

2016-01-01

FeSe layer-based superconductors exhibit exotic and distinctive properties. The undoped FeSe shows nematicity and superconductivity, while the heavily electron-doped KxFe2−ySe2 and single-layer FeSe/SrTiO3 possess high superconducting transition temperatures that pose theoretical challenges. However, a comprehensive study on the doping dependence of an FeSe layer-based superconductor is still lacking due to the lack of a clean means of doping control. Through angle-resolved photoemission spectroscopy studies on K-dosed thick FeSe films and FeSe0.93S0.07 bulk crystals, here we reveal the internal connections between these two types of FeSe-based superconductors, and obtain superconductivity below ∼46 K in an FeSe layer under electron doping without interfacial effects. Moreover, we discover an exotic phase diagram of FeSe with electron doping, including a nematic phase, a superconducting dome, a correlation-driven insulating phase and a metallic phase. Such an anomalous phase diagram unveils the remarkable complexity, and highlights the importance of correlations in FeSe layer-based superconductors. PMID:26952215

Cu, Fe, and Zn Isotope Variations Within a High-Temperature Mid-Ocean Ridge Sulfide Structure

NASA Astrophysics Data System (ADS)

Ewing, S. M.; Nelson, B. K.; Kelley, D. S.; Nielsen, D. C.

2006-12-01

Hydrothermal processes at mid-ocean ridges play an important role in controlling the transition metal budget of seawater and the crust through which it circulates. Preliminary work has shown stable metal isotope variations accompany these processes. We report Cu, Zn, and Fe isotope analyses of transects through a high temperature sulfide structure ("Fin") collected during the 1998 Edifice Rex Sulfide Recovery Project. We analyzed two horizontal transects through the sulfide edifice, from inner conduit to outer surface. Transects A and F are 9 and 6 cm in length, respectively. Each displays radially zoned mineralogy progressing from a chalcopyrite (ccp) zone through zones of zinc sulfide, pyrite-anhydrite (pyr-anh) matrix, zinc sulfide-anhydrite (zns-anh) matrix, to an outer well-cemented silica (Si) zone. Additional ccp and pyr-anh zones appear in transect A resulting from a smaller breakout conduit. In transect A, Cu displays the most isotopic variation, with little variation in Fe and Zn isotopes. From the inner ccp zone outward, the Cu isotope profile shows a 0.4‰ (±0.05‰ 2σ) increase in the first pyr-anh zone over the coarse-grained ccp zone. The δ65Cu drops by 0.6‰ in the secondary ccp zone and recovers to values of the innermost wall in the following zone where it is constant until the outermost portion of the Si rich zone, which shows a 1.3‰ increase over inner zone values. The Zn isotope profile has a total variation of 0.27‰ (±0.05‰ 2σ), with a 0.2‰ increase in the first pyr- anh zone followed by a .27‰ decrease in the adjacent zone, and recovering to its heaviest values in the second pyr-anh zone. The Zn profile lacks any significant increase of the δ^{64}Zn in the outermost zones. The Fe isotope profile shows very little variation across the chimney wall, but does have a sharp 0.7‰ (±0.1‰ 2σ) increase in the δ56Fe in the well-cemented Si rich zone. In transect F, the Cu isotope profile again shows the most variation, but

Weathering of PGE sulfides and Pt-Fe alloys in the Freetown Layered Complex, Sierra Leone

NASA Astrophysics Data System (ADS)

Bowles, John F. W.; Suárez, Saioa; Prichard, Hazel M.; Fisher, Peter C.

2017-12-01

Fresh and weathered rocks and saprolite from Horizon B of the Freetown Layered Complex contain platinum-group minerals (PGM). The PGM in the fresh rocks are 1-7 μm across, including cooperite (PtS), isoferroplatinum (Pt3Fe), minor tetraferroplatinum (PtFe), tulameenite (Pt2FeCu), Os-bearing laurite (RuS2), and other base metal-sulfide (BMS)-bearing PGM. The weathered rocks contain fewer of those PGM but a high proportion of disordered Cu-(±Pd)-bearing Pt-Fe alloys. The saprolite hosts scarce, smaller (1-3 μm) ordered PtFe and disordered PtFe3. The Pt-Fe alloys became increasingly Fe rich as weathering proceeded. Pt-Fe oxides appeared during weathering. Copper sulfides associated with the primary PGM and cooperite (with <3% Pd) were destroyed to provide the minor Cu and Pd found in some of the disordered Pt-Fe alloys. Platinum- and Pd-bearing saprolites have retained the original rock fabric and, to a depth of about 2 m, surround residual rocks that show progressive weathering (corestones). Ground water passing through the saprolite has transported Pt and Pd (and probably Au) in solution down slope into saprolite over unmineralized rocks. Transport is marked by changes in the Pt/Pd ratio indicating that the metals have moved independently. Palladium is present in marginally higher concentrations in the deeper saprolite than in the corestones suggesting some retention of Pd in the deeper saprolite. Platinum and Pd are less concentrated in the upper saprolite than the deeper saprolite indicating surface leaching. Alteration occurred over a long period in an organic and microbial rich environment that may have contributed to the leaching and transport of PGE.

Electron doping evolution of the magnetic excitations in NaFe 1-xCo xAs

DOE PAGES

Carr, Scott V.; Zhang, Chenglin; Song, Yu; ...

2016-06-13

We use time-of-flight (TOF) inelastic neutron scattering (INS) spectroscopy to investigate the doping dependence of magnetic excitations across the phase diagram of NaFe 1-xCo xAs with x = 0, 0.0175, 0.0215, 0.05, and 0.11. The effect of electron-doping by partially substituting Fe by Co is to form resonances that couple with superconductivity, broaden and suppress low energy (E 80 meV) spin excitations compared with spin waves in undoped NaFeAs. However, high energy (E > 80 meV) spin excitations are weakly Co-doping dependent. Integration of the local spin dynamic susceptibility "(!) of NaFe 1-xCo xAs reveals a total fluctuating moment ofmore » 3.6 μ2 B/Fe and a small but systematic reduction with electron doping. The presence of a large spin gap in the Cooverdoped nonsuperconducting NaFe0.89Co0.11As suggests that Fermi surface nesting is responsible for low-energy spin excitations. These results parallel Ni-doping evolution of spin excitations in BaFe 2-xNi xAs 2, confirming the notion that low-energy spin excitations coupling with itinerant electrons are important for superconductivity, while weakly doping dependent high-energy spin excitations result from localized moments.« less

Calcium cation enhanced cathode/electrolyte interface property of Li2FeSiO4/C cathode for lithium-ion batteries with long-cycling life

NASA Astrophysics Data System (ADS)

Qu, Long; Li, Mingtao; Tian, Xiaolu; Liu, Pei; Yi, Yikun; Yang, Bolun

2018-03-01

Currently, the cycle performance at low rate is one of the most critical factor for realizing practical applications of Li2FeSiO4/C as a cathode of the lithium-ion batteries. To meet this challenge, calcium (Ca)-doped Li2FeSiO4/C is prepared by using the sol-gel method with soluble Li, Fe, Si and Ca sources. X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy and X-ray photoelectron spectroscopy measurements are carried out to determine the crystal structures, morphologies, particle sizes and chemical valence states of the resulting products. Rietveld refinement confirms that Ca-doped Li2FeSiO4 has a monoclinic P21/n structure and that a Ca cation occupies the Fe site in the Li2FeSiO4 lattice. The grain size of Ca-doped Li2FeSiO4 is approximately 20 nm and the nanoparticles are interconnected tightly with amorphous carbon layer. As a cathode material for the lithium-ion batteries, Li2Fe0.97Ca0.03SiO4/C delivers a high discharge capacity of 186 mAh g-1 at a 0.5 C rate. Its capacity retention after the 100th cycle reaches 87%, which increases by 25 percentage points compared with Li2FeSiO4/C. The Li2Fe0.97Ca0.03SiO4/C cathode exhibits good rate performance, with corresponding discharge capacities of 170, 157, 144 and 117 mAh g-1 at 1 C, 2 C, 5 C and 10 C rates, respectively. In summary, the improvement of the electrochemical performance can be attributed to a coefficient of the strengthened crystal structure stability during Li+ deintercalation-intercalation and restrained side reactions between electrode and electrolyte.

Magnetic and electron spin resonance studies of W doped CoFe2O4 polycrystalline materials

NASA Astrophysics Data System (ADS)

Singamaneni, S. R.; Martinez, L. M.; Swadipta, R.; Ramana, C. V.

2018-05-01

We report the magnetic and electron spin resonance (ESR) properties of W doped CoFe2O4 polycrystalline materials, prepared by standard solid-state reaction method. W was doped (0-15%) in CFO lattice on Fe site. Isothermal magnetization measurements reveal that the coercive field (Hc) (1300-2200 Oe) and saturation magnetization MS (35-82 emu/g) vary strongly as a function of W doping at all the temperatures (4-300 K) measured. We believe that a strong decrease in magnetic anisotropy in CFO after doping with W could cause a decrease in Hc. Up on doping CFO with W in place of Fe, the process transforms part of Fe3+ into Fe2+ due to the creation of more oxygen vacancies. This hinders the super-exchange interaction between Fe3+ and Fe2+, which causes a decrease in MS. Zero-field cooled (ZFC) and field cooled (FC, 1000 Oe) magnetization responses measured at 4 K on 1% W doped CFO show no indication of exchange bias, inferring that there are no other microscopic secondary magnetic phases (no segregation). This observation is corroborated by ESR (9.398 GHz) measurements collected as a function of temperature (10-150 K) and W doping (0-15%). We find that ESR spectra did not change after doping with W above 0.5%. However, ESR spectra collected from 0.5% W doped CFO sample showed a strong temperature dependence. We observed several ESR signals from 0.5% W doped CFO sample that could be due to phase separation.

Physical properties of FePt nanocomposite doped with Ag atoms: First-principles study

NASA Astrophysics Data System (ADS)

Jia, Yong-Fei; Shu, Xiao-Lin; Xie, Yong; Chen, Zi-Yu

2014-07-01

L10 FePt nanocomposite with high magnetocrystalline anisotropy energy has been extensively investigated in the fields of ultra-high density magnetic recording media. However, the order—disorder transition temperature of the nanocomposite is higher than 600 °C, which is a disadvantage for the use of the material due to the sustained growth of FePt grain under the temperature. To address the problem, addition of Ag atoms has been proposed, but the magnetic properties of the doped system are still unclear so far. Here in this paper, we use first-principles method to study the lattice parameters, formation energy, electronic structure, atomic magnetic moment and order—disorder transition temperature of L10 FePt with Ag atom doping. The results show that the formation energy of a Ag atom substituting for a Pt site is 1.309 eV, which is lower than that of substituting for an Fe site 1.346 eV. The formation energy of substituting for the two nearest Pt sites is 2.560 eV lower than that of substituting for the further sites 2.621 eV, which indicates that Ag dopants tend to segregate L10 FePt. The special quasirandom structures (SQSs) for the pure FePt and the FePt doped with two Ag atoms at the stable Pt sites show that the order—disorder transition temperatures are 1377 °C and 600 °C, respectively, suggesting that the transition temperature can be reduced with Ag atom, and therefore the FePt grain growth is suppressed. The saturation magnetizations of the pure FePt and the two Ag atoms doped FePt are 1083 emu/cc and 1062 emu/cc, respectively, indicating that the magnetic property of the doped system is almost unchanged.

Fe/Co doped molybdenum diselenide: a promising two-dimensional intermediate-band photovoltaic material.

PubMed

Zhang, Jiajia; He, Haiyan; Pan, Bicai

2015-05-15

An intermediate-band (IB) photovoltaic material is an important candidate in developing the new-generation solar cell. In this paper, we propose that the Fe-doped or the Co-doped MoSe2 just meets the required features in IB photovoltaic materials. Our calculations demonstrate that when the concentration of the doped element reaches 11.11%, the doped MoSe2 shows a high absorptivity for both infrared and visible light, where the photovoltaic efficiency of the doped MoSe2 is as high as 56%, approaching the upper limit of photovoltaic efficiency of IB materials. So, the Fe- or Co-doped MoSe2 is a promising two-dimensional photovoltaic material.

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

A sulfide-saturated lunar mantle?

NASA Astrophysics Data System (ADS)

Brenan, James M.; Mungall, James E.

2017-04-01

Although much work has been done to understand the controls on the sulfur content at sulfide saturation (SCSS) for terrestrial melt compositions, little information exists to evaluate the SCSS for the high FeO compositions typical of lunar magmas, and at the reduced conditions of the Moon's interior. Experiments were done to measure the SCSS for a model low Ti mare basalt with 20 wt% FeO at 1400oC as a function of fO2 and pressure. Synthetic lunar basalt was encapsulated along with stoichiometric FeS in capsules made from Fe-Ir alloy. The fO2 of the experiment can be estimated by the heterogeneous equilibrium: Femetal + 1 /2 O2 = FeOsilicate Variation in the metal composition, by addition of Ir, serves to change the fO2 of the experiment. Capsule compositions spanning the range Fe25Ir75 to Fe96Ir4 (at%) were synthesized by sintering of pressed powders under reducing conditions. Fe100 capsules were fabricated from pure Fe rod. For a melt with 20 wt% FeO, this range in capsule composition spans the fO2 interval of ˜IW-1 (Fe100, Fe96Ir4) to IW+2.2 (Fe25Ir75). Experiments were done over the pressure interval of 0.1 MPa to 2 GPa. Results for experiments involving Fe100capsules indicate that the SCSS decreases from ˜2000 ppm (0.1 MPa) to 700 ppm (2 GPa). Experiments done thus far at 1 GPa, involving the range of capsule compositions indicated, show a marked decrease in SCSS as the Fe content of the capsule increases (fO2 decreases). Complementary to the decrease in SCSS is a drop in the sulfur content of the coexisting sulfide melt, from ˜50 at% at ΔIW = +2.2 to ˜20 at% at ΔIW-1. In fact, both the composition of the sulfide melt and the SCSS are essentially indistinguishable for Fe96Ir4 and Fe100 compositions. Results thus far indicate that at reduced conditions and high pressure, the SCSS for high FeO lunar compositions is low, and overlaps with Apollo 11 melt inclusion data. Importantly, such low SCSS does not require Fe metal saturation, and suggests that some

Highly tunable magnetism in silicene doped with Cr and Fe atoms under isotropic and uniaxial tensile strain

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

Zheng, Rui; Ni, Jun, E-mail: junni@mail.tsinghua.edu.cn; Collaborative Innovative Center of Quantum Matter, Beijing 100084

2015-12-28

We have investigated the magnetic properties of silicene doped with Cr and Fe atoms under isotropic and uniaxial tensile strain by the first-principles calculations. We find that Cr and Fe doped silicenes show strain-tunable magnetism. (1) The magnetism of Cr and Fe doped silicenes exhibits sharp transitions from low spin states to high spin states by a small isotropic tensile strain. Specially for Fe doped silicene, a nearly nonmagnetic state changes to a high magnetic state by a small isotropic tensile strain. (2) The magnetic moments of Fe doped silicene also show a sharp jump to ∼2 μ{sub B} at amore » small threshold of the uniaxial strain, and the magnetic moments of Cr doped silicene increase gradually to ∼4 μ{sub B} with the increase of uniaxial strain. (3) The electronic and magnetic properties of Cr and Fe doped silicenes are sensitive to the magnitude and direction of the external strain. The highly tunable magnetism may be applied in the spintronic devices.« less

Doping-dependent anisotropic superconducting gap in Na1-δ(Fe1-xCox)As from London penetration depth

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

Cho, Kyuil; Tanatar, Makariy A.; Spyrison, Nicholas

2012-07-30

The London penetration depth was measured in single crystals of self-doped Na1-δFeAs (from under doping to optimal doping, Tc from 14 to 27 K) and electron-doped Na(Fe1-xCox)As with x ranging from undoped, x=0, to overdoped, x=0.1. In all samples, the low-temperature variation of the penetration depth exhibits a power-law dependence, Δλ(T)=ATn, with the exponent that varies in a domelike fashion from n˜1.1 in the underdoped, reaching a maximum of n˜1.9 in the optimally doped, and decreasing again to n˜1.3 on the overdoped side. While the anisotropy of the gap structure follows a universal domelike evolution, the exponent at optimal doping,more » n˜1.9, is lower than in other charge-doped Fe-based superconductors (FeSCs). The full-temperature range superfluid density, ρs(T)=λ(0)/λ(T)2, at optimal doping is also distinctly different from other charge-doped FeSCs but is similar to isovalently substituted BaFe2(As1-xPx)2, believed to be a nodal pnictide at optimal doping. These results suggest that the superconducting gap in Na(Fe1-xCox)As is highly anisotropic even at optimal doping.« less

Modifications of the structure and magnetic properties of ceramic YCrO3 with Fe/Ni doping

NASA Astrophysics Data System (ADS)

Mall, Ashish Kumar; Garg, Ashish; Gupta, Rajeev

2017-07-01

In this manuscript, we have investigated the effect of Fe and Ni doping on the structure and magnetic properties of YCr1-x M x O3 ceramics (M  =  Fe, Ni and x  =  0, 0.1). X-ray diffraction analysis of the samples accompanied with, Rietveld refinement suggested no change in the structure upon doping, with structure of the samples being orthorhombic (space group: Pnma). Raman spectroscopic analysis of the samples revealed that doping induced disorder leads to broadening of the certain Raman modes of the system. While, both B 3g(5) and B 1g(3) modes are broadened in Ni and Fe doped samples, in addition Fe doped samples also show broadening of B 1g(4) mode. In doped samples a new mode, A 1g(3) appears due to the induced lattice disorder. Temperature dependent magnetic measurements suggested a negative value of Curie-Weiss temperature (θ cw) indicating that all the samples are antiferromagnetic. However, the Neel temperature (T N) increased for Fe doping and decreased with Ni doping. These changes in the Neel temperature upon doping can be correlated to the changes in the nearest neighbor and next nearest neighbor exchange interactions.

Experimental simulations of sulfide formation in the solar nebula.

PubMed

Lauretta, D S; Lodders, K; Fegley, B

1997-07-18

Sulfurization of meteoritic metal in H2S-H2 gas produced three different sulfides: monosulfide solid solution [(Fe,Ni)1-xS], pentlandite [(Fe,Ni)9-xS8], and a phosphorus-rich sulfide. The composition of the remnant metal was unchanged. These results are contrary to theoretical predictions that sulfide formation in the solar nebula produced troilite (FeS) and enriched the remaining metal in nickel. The experimental sulfides are chemically and morphologically similar to sulfide grains in the matrix of the Alais (class CI) carbonaceous chondrite, suggesting that these meteoritic sulfides may be condensates from the solar nebula.

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

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

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

Kaur, Maninder; Dai, Qilin; Bowden, Mark

2013-01-01

Cr-doped core-shell Fe/Fe-oxide nanoclusters (NCs) were synthesized at varied atomic percentages of Cr from 0 at. % to 8 at. %. The low concentrations of Cr (<10 at. %) were selected in order to inhibit the complete conversion of the Fe-oxide shell to Cr2O3 and the Fe core to FeCr alloy. The magnetic interaction in Fe/Fe-oxide NCs (rv25 nm) can be controlled by antiferromagnetic Cr-dopant. We report the origin of r-FeCr phase at very low Cr concentration (2 at. %) unlike in previous studies, and the interaction reversal from dipolar to exchange interaction in watermelon-like Cr-doped core-shell NCs. The giantmore » magnetoresistance (GMR) effect,1,2 where an antiferromagnetic (AFM) exchange coupling exists between two ferromagnetic (FM) layers separated by a certain type of magnetic or non-magnetic spacer,3 has significant potential for application in the magnetic recording industry. Soon after the discovery of the GMR, the magnetic properties of multilayer systems (FeCr) became a subject of intensive study. The application of bulk iron-chromium (Fe-Cr) alloys has been of great interest, as these alloys exhibit favorable prop- erties including corrosion resistance, high strength, hardness, low oxidation rate, and strength retention at elevated temper- ature. However, the structural and magnetic properties of Cr-doped Fe nanoclusters (NCs) have not been investigated in-depth. Of all NCs, Fe-based clusters have unique magnetic properties as well as favorable catalytic characteristics in reactivity, selectivity, and durability.4 The incorporation of dopant of varied type and concentration in Fe can modify its chemical ordering, thereby optimizing its electrical, optical, and magnetic properties and opening up many new applications. The substitution of an Fe atom (1.24 A°) by a Cr atom (1.25 A° ) can easily modify the magnetic properties, since (i) the curie temperature (Tc ) of Fe is 1043 K, while Cr is an itinerant AFM with a bulk Neel temperature TN =311 K, and

Synthesis and spectral characterizations of trivalent ions (Cr3+, Fe3+) doped CdO nanopowders

NASA Astrophysics Data System (ADS)

Aswani, T.; Babu, B.; Pushpa Manjari, V.; Joyce Stella, R.; Thirumala Rao, G.; Rama Krishna, Ch.; Ravikumar, R. V. S. S. N.

2014-03-01

Trivalent transition metal ions (Cr3+, Fe3+) doped CdO nanopowders via sonication in the presence of Sodium lauryl sulfate as stabilizing agent were synthesized and characterized. Powder XRD studies indicate that the obtained CdO has a cubic phase and concluded that the trivalent ions doping induced the lattice constants to change some extent. Optical absorption spectra exhibited the characteristic bands of Cr3+ and Fe3+ ions in octahedral site symmetry. Crystal field (Dq) and inter-electronic repulsion (B and C) parameters are evaluated for Cr3+ doped CdO nanopowders as Dq = 1540, B = 619 and C = 3327 cm-1 and for Fe3+ doped CdO nanopowders Dq = 920, B = 690, C = 2750 cm-1. EPR spectra of the Cr3+ and Fe3+ doped CdO nanopowders exhibited resonances at g = 1.973 and g = 2 respectively which indicate distorted octahedral site for both ions with the host. Photoluminescence spectra shows the emission bands in violet and bluish green regions for Cr3+ doped CdO, ultraviolet and blue emissions for Fe3+ doped CdO nanopowders. The CIE chromaticity coordinates were also evaluated from the emission spectrum. FT-IR spectra indicate the presence of various functional groups of host lattice.

Photocatalytic degradation of Rhodamine B dye using Fe doped TiO2 nanocomposites

NASA Astrophysics Data System (ADS)

Barkhade, Tejal; Banerjee, Indrani

2018-05-01

The unique properties of titanium dioxide (TiO2) such as high photo catalytic activity, high chemical stability and low toxicity have made it a suitable photocatalyst in recent decades. The effect of modification of TiO2 with doping of iron on its characteristics and photo catalytic efficiency was studied. The change in band gap energy of TiO2 nanoparticles after doping with Fe has been studied. Significant enhancement in photo catalytic property of TiO2 after Fe doping under light exposure conditions has been investigated. Acute exposure to non-biodegradable Rhodamine B resulted in many health problems like burning of eyes, skin irritation, nasal burning, and chest pain etc. Therefore, degradation of this dye is needed to save environment and animals. Considering the similar radius of Fe3+ and Ti4+ ions (respectively 0.64 Å and 0.68 Å), titanium position in the lattice of TiO2 can be replaced by iron cations easily. The undoped and Fe doped TiO2 nano composites were synthesized by sol-gel method, in which 1.0M% of Fe was doped with TiO2 and then the samples were characterized by using FE-SEM, UV-Visible diffuse spectroscopy, Raman Spectroscopy, and FTIR. Photo catalytic degradation of Rhodamine B dye experiment was carried out in visible light range. After 90 min time duration pink colour of dye turned colourless, indicating significant degradation rate with time.

Flux pinning and inhomogeneity in magnetic nanoparticle doped MgB2/Fe wires

NASA Astrophysics Data System (ADS)

Novosel, Nikolina; Pajić, Damir; Mustapić, Mislav; Babić, Emil; Shcherbakov, Andrey; Horvat, Joseph; Skoko, Željko; Zadro, Krešo

2010-06-01

The effects of magnetic nanoparticle doping on superconductivity of MgB2/Fe wires have been investigated. Fe2B and SiO2-coated Fe2B particles with average diameters 80 and 150 nm, respectively, were used as dopands. MgB2 wires with different nanoparticle contents (0, 3, 7.5, 12 wt.%) were sintered at temperature 750°C. The magnetoresistivity and critical current density Jc of wires were measured in the temperature range 2-40 K in magnetic field B <= 16 T. Both transport and magnetic Jc were determined. Superconducting transition temperature Tc of doped wires decreases quite rapidly with doping level (~ 0.5 K per wt.%). This results in the reduction of the irreversibility fields Birr(T) and critical current densities Jc(B,T) in doped samples (both at low (5 K) and high temperatures (20 K)). Common scaling of Jc(B,T) curves for doped and undoped wires indicates that the main mechanism of flux pinning is the same in both types of samples. Rather curved Kramer's plots for Jc of doped wires imply considerable inhomogeneity.

Enhanced ferromagnetic properties in Nd and Gd co-doped BiFeO3 ceramics

NASA Astrophysics Data System (ADS)

Jena, A. K.; Chelvane, J. Arout; Mohanty, J.

2018-05-01

Structural, optical and magnetic properties of Nd3+ and Gd3+ doped BiFeO3 were studied. X-ray diffraction studies confirmed that all the co-doped Bi1-x-yNdxGdyFeO3 samples are polycrystalline in nature crystallizing in rhombohedral type structure (Space group: R3c). In addition to this presence of residual phases like Bi2Fe4O9, Bi25FeO40 were also observed. Raman spectra confirms the structural distortion in co-doped ceramics. Band gap of samples decrease from 2.08eV to 1.95eV with increase in Gd concentration. Room temperature magnetization measurement indicated enhancement of magnetic properties with increase in Gd concentration.

Effect of Fe doping on the electrochemical capacitor behavior of MnO2 nanocrystals

NASA Astrophysics Data System (ADS)

Poonguzhali, R.; Shanmugam, N.; Gobi, R.; Senthilkumar, A.; Viruthagiri, G.; Kannadasan, N.

2015-10-01

In this work, the influence of Fe doping on the capacitance behavior of MnO2 nanoparticles synthesized by chemical precipitation was investigated. During the doping process the concentration of Fe was increased from 0.025 M to 0.125 M in steps of 0.025 M. The products obtained were characterized by X-ray diffraction, Fourier infrared spectroscopy, scanning electron microscopy and N2 adsorption-desorption isotherms. To demonstrate the suitability of Fe-doped MnO2 for capacitor applications, cyclic voltammetry, galvanostatic charge-discharge and electrochemical impedance were recorded. Among the different levels of doping, the specific capacitance of 912 F/g was delivered by 0.075 M of Fe-doped MnO2 at a scan rate of 10 mV/s, which is almost more than fourfold that of the bare MnO2 electrode (210 F/g). Moreover, for the same concentration the charge, discharge studies revealed the highest specific capacitance of 1084 F/g at a current density of 10 A/g.

Sulfide Oxidation by O2: Synthesis, Structure and Reactivity of Novel Sulfide-Incorporated Fe(II) Bis(imino)pyridine Complexes

PubMed Central

Widger, Leland R.; Siegler, Maxime A.

2013-01-01

The unsymmetrical iron(II) bis(imino)pyridine complexes [FeII(LN3SMe)(H2O)3](OTf)2 (1), and [FeII(LN3SMe)Cl2] (2) were synthesized and their reactivity with O2 was examined. Complexes 1 and 2 were characterized by single crystal X-ray crystallography, LDI-MS, 1H-NMR and elemental analysis. The LN3SMe ligand was designed to incorporate a single sulfide donor and relies on the bis(imino)pyridine scaffold. This scaffold was selected for its ease of synthesis and its well-precedented ability to stabilize Fe(II) ions. Complexes 1 and 2 ware prepared via a metal-assisted template reaction from the unsymmetrical pyridyl ketone precursor 2-(O=CMe)-6-(2,6-(iPr2-C6H3N=CMe)-C5H3N. Reaction of 1 with O2 was shown to afford the S-oxygenated sulfoxide complex [Fe(LN3S(O)Me)(OTf)]2+(3), whereas compound 2, under the same reaction conditions, afforded the corresponding sulfone complex [Fe(LN3S(O2)Me)Cl]2+ (4). PMID:23878411

Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe 2As 2

DOE PAGES

Sefat, Athena S.; Li, Li; Cao, Huibo B.; ...

2016-02-12

Within the BaFe 2As 2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba 1-xTl xFe 2As 2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Néel temperature rises with small x, and then falls with additional x. Specifically, we find that Néel and structural transitions in BaFe 2As 2 (T N = T s = 133 K) increase for x = 0.05 (T N = 138 K, T s = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidencemore » from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x = 0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (T N = T s = 131 K), and this is due to charge doping. Lastly, we illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism.« less

Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2

PubMed Central

Sefat, Athena S.; Li, Li; Cao, Huibo B.; McGuire, Michael A.; Sales, Brian; Custelcean, Radu; Parker, David S.

2016-01-01

Within the BaFe2As2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba1-xTlxFe2As2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Néel temperature rises with small x, and then falls with additional x. Specifically, we find that Néel and structural transitions in BaFe2As2 (TN = Ts = 133 K) increase for x = 0.05 (TN = 138 K, Ts = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x = 0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (TN = Ts = 131 K), and this is due to charge doping. We illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism. PMID:26867821

Mechanistic insights of Li+ diffusion within doped LiFePO4 from Muon Spectroscopy.

PubMed

Johnson, Ian D; Ashton, Thomas E; Blagovidova, Ekaterina; Smales, Glen J; Lübke, Mechthild; Baker, Peter J; Corr, Serena A; Darr, Jawwad A

2018-03-07

The Li + ion diffusion characteristics of V- and Nb-doped LiFePO 4 were examined with respect to undoped LiFePO 4 using muon spectroscopy (µSR) as a local probe. As little difference in diffusion coefficient between the pure and doped samples was observed, offering D Li values in the range 1.8-2.3 × 10 -10  cm 2 s -1 , this implied the improvement in electrochemical performance observed within doped LiFePO 4 was not a result of increased local Li + diffusion. This unexpected observation was made possible with the µSR technique, which can measure Li + self-diffusion within LiFePO 4 , and therefore negated the effect of the LiFePO 4 two-phase delithiation mechanism, which has previously prevented accurate Li + diffusion comparison between the doped and undoped materials. Therefore, the authors suggest that µSR is an excellent technique for analysing materials on a local scale to elucidate the effects of dopants on solid-state diffusion behaviour.

Sulfur and sulfides in chondrules

NASA Astrophysics Data System (ADS)

Marrocchi, Yves; Libourel, Guy

2013-10-01

The nature and distribution of sulfides within type I PO, POP and PP chondrules of the carbonaceous chondrite Vigarano (CV3) have been studied by secondary electron microscopy and electron microprobe. They occur predominantly as spheroidal blebs composed entirely of low-Ni iron sulfide (troilite, FeS) or troilite + magnetite but in less abundance in association with metallic Fe-Ni beads in opaque assemblages. Troilites are mainly located within the low-Ca pyroxene outer zone and their amounts increase with the abundance of low-Ca pyroxene within chondrules, suggesting co-crystallization of troilite and low-Ca pyroxene during high-temperature events. We show that sulfur concentration and sulfide occurrence in chondrules obey high temperature sulfur solubility and saturation laws. Depending on the fS2 and fO2 of the surrounding gas and on the melt composition, mainly the FeO content, sulfur dissolved in chondrule melts may eventually reach a concentration limit, the sulfur content at sulfide saturation (SCSS), at which an immiscible iron sulfide liquid separates from the silicate melt. The occurrence of both a silicate melt and an immiscible iron sulfide liquid is further supported by the non-wetting behavior of sulfides on silicate phases in chondrules due to the high interfacial tension between their precursor iron-sulfide liquid droplets and the surrounding silicate melt during the high temperature chondrule-forming event. The evolution of chondrule melts from PO to PP towards more silicic compositions, very likely due to high PSiO(g) of the surrounding nebular gas, induces saturation of FeS at much lower S content in PP than in PO chondrules, leading to the co-crystallization of iron sulfides and low-Ca pyroxenes. Conditions of co-saturation of low-Ca pyroxene and FeS are only achieved in non canonical environments characterized by high partial pressures of sulfur and SiO and redox conditions more oxidizing than IW-3. Fe and S mass balance calculations also

Effect of Fe doping concentration on photocatalytic activity of ZnO nanosheets under natural sunlight

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

Khokhra, Richa; Kumar, Rajesh, E-mail: rajesh.kumar@juit.ac.in

2015-05-15

A facile room temperature, aqueous solution-based chemical method has been adopted for large-scale synthesis of Fe doped ZnO nanosheets. The XRD and SEM results reveal the as-synthesized products well crystalline and accumulated by large amount of interweave nanosheets, respectively. Energy dispersive spectroscopy data confirmed Fe doping of the ZnO nanosheets with a varying Fe concentration. The photoluminescence spectrum reveals a continuous suppression of defect related emissions intensity by increasing the concentration of the Fe ion. A photocatalytic activity using these samples under sunlight irradiation in the mineralization of methylene blue dye was investigated. The photocatalytic activity of Fe doped ZnOmore » nanosheets depends upon the presence of surface oxygen vacancies.« less

Ferromagnetism in Fe-doped transition metal nitrides

NASA Astrophysics Data System (ADS)

Sharma, Ramesh; Sharma, Yamini

2018-04-01

Early transition metal mononitrides ScN and YN are refractory compounds with high hardness and melting points as well semiconducting properties. The presence of nitrogen vacancies in ScN/YN introduces asymmetric peaks in the density of states close to Fermi level, the same effects can be achieved by doping by Mn or Fe-atoms. Due to the substitution of TM atoms at Sc/Y sites, it was found that the p-d hybridization induces small magnetic moments at both Sc/Y and N sites giving rise to magnetic semiconductors (MS). From the calculated temperature dependent transport properties, the power factor and ZT is found to be lowered for doped ScN whereas it increases for doped YN. It is proposed that these materials have promising applications as spintronics and thermoelectric materials.

Polymersomes containing iron sulfide (FeS) as primordial cell model : for the investigation of energy providing redox reactions.

PubMed

Alpermann, Theodor; Rüdel, Kristin; Rüger, Ronny; Steiniger, Frank; Nietzsche, Sandor; Filiz, Volkan; Förster, Stephan; Fahr, Alfred; Weigand, Wolfgang

2011-04-01

According to Wächtershäuser's "Iron-Sulfur-World" one major requirement for the development of life on the prebiotic Earth is compartmentalization. Vesicles spontaneously formed from amphiphilic components containing a specific set of molecules including sulfide minerals may have lead to the first autotrophic prebiotic units. The iron sulfide minerals may have been formed by geological conversions in the environment of deep-sea volcanos (black smokers), which can be observed even today. Wächtershäuser postulated the evolution of chemical pathways as fundamentals of the origin of life on earth. In contrast to the classical Miller-Urey experiment, depending on external energy sources, the "Iron-Sulfur-World" is based on the catalytic and energy reproducing redox system FeS+H2S-->FeS2+H2. The energy release out of this redox reaction (∆RG°=-38 kJ/mol, pH 0) could be the cause for the subsequent synthesis of complex organic molecules and the precondition for the development of more complex units similar to cells known today. Here we show the possibility for precipitating iron sulfide inside vesicles composed of amphiphilic block-copolymers as a model system for a first prebiotic unit. Our findings could be an indication for a chemoautotrophic FeS based origin of life.

Study the Polyol Process of Preparing the ru Doped FePt Nanoparticles

NASA Astrophysics Data System (ADS)

Lee, Chih-Hao; Hsu, Jen-Ho; Su, Hui-Chia; Huang, Tzu Wen

The structure of Ru doped FePt nanoparticles using polyol process was studied. The particle size grown is around 5 nm, and a shell structure might be formed. By selecting the time and temperature of adding the Ru precursors into solution, three different processes to synthesize the FePtRu particles were studied resulting in different growing mechanics. The possible models during the reaction process are also discussed. The phase transition temperature for the as-grown FCC FePt nanoparticle to transform into L10 FePt nanoparticle is about 823 K which is about the same as the one without doping Ru atoms. From the XAS study of each element, the possible scenario is that: although Ru atoms with the size close to the Pt, they do not totally replace the Pt sites in the FePt alloy. Instead, most of Ru formed a shell outside the FePt nanoparticles and Fe atoms are replaced.

High-temperature ferromagnetism in new n-type Fe-doped ferromagnetic semiconductor (In,Fe)Sb

NASA Astrophysics Data System (ADS)

Thanh Tu, Nguyen; Hai, Pham Nam; Anh, Le Duc; Tanaka, Masaaki

2018-06-01

Over the past two decades, intensive studies on various ferromagnetic semiconductor (FMS) materials have failed to realize reliable FMSs that have a high Curie temperature (T C > 300 K), good compatibility with semiconductor electronics, and characteristics superior to those of their nonmagnetic host semiconductors. Here, we demonstrate a new n-type Fe-doped narrow-gap III–V FMS, (In1‑ x ,Fe x )Sb. Its T C is unexpectedly high, reaching ∼335 K at a modest Fe concentration (x) of 16%. The anomalous Hall effect and magnetic circular dichroism (MCD) spectroscopy indicate that the high-temperature ferromagnetism in (In,Fe)Sb thin films is intrinsic and originates from the zinc-blende (In,Fe)Sb alloy semiconductor.

Effect of Te doping on FeSe superconductor synthesized by powder-in-tube

NASA Astrophysics Data System (ADS)

Imaduddin, A.; Nisa, K.; Yudanto, S. D.; Nugraha, H.; Siswayanti, B.

2017-04-01

FeSe is a superconducting material, which has the simplest crystal structure among the Fe-based superconductors. It has no arsenic element, which is very harmful to the human body. In this study, we analyzed the effects of milling time and Te doping on FeSe superconductors. The synthesis of the samples were carried out using powder-in-tube method in a SS304 stainless steel tube. After the pressing process, followed by the sintering process at 500° C for 20 hours, the samples were removed from the tubes. Later, we analyzed its crystal structures, surfaces morphology and the superconductivity properties. Δ-FeSe phase (hexagonal, non-superconductor) and β-FeSe (tetragonal, superconductor) were formed in the samples, including minor phases of Fe and Fe3Se4. Te doping changed the crystal structure from β-FeSe and Δ-FeSe into FeSe0.5Te0.5. In addition, the onset critical temperature (TC, onset) shifted to higher temperature.

Fe-Doping Effect on Thermoelectric Properties of p-Type Bi0.48Sb1.52Te₃.

PubMed

Mun, Hyeona; Lee, Kyu Hyoung; Kim, Suk Jun; Kim, Jong-Young; Lee, Jeong Hoon; Lim, Jae-Hong; Park, Hee Jung; Roh, Jong Wook; Kim, Sung Wng

2015-03-05

The substitutional doping approach has been shown to be an effective strategy to improve ZT of Bi₂Te₃-based thermoelectric raw materials. We herein report the Fe-doping effects on electronic and thermal transport properties of polycrystalline bulks of p -type Bi 0.48 Sb 1.52 Te₃. After a small amount of Fe-doping on Bi/Sb-sites, the power factor could be enhanced due to the optimization of carrier concentration. Additionally, lattice thermal conductivity was reduced by the intensified point-defect phonon scattering originating from the mass difference between the host atoms (Bi/Sb) and dopants (Fe). An enhanced ZT of 1.09 at 300 K was obtained in 1.0 at% Fe-doped Bi 0.48 Sb 1.52 Te₃ by these synergetic effects.

Properties of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions through photoelectron spectroscopy and density functional theory calculations.

PubMed

Yin, Shi; Bernstein, Elliot R

2016-10-21

A new magnetic-bottle time-of-flight photoelectron spectroscopy (PES) apparatus is constructed in our laboratory. The PES spectra of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide [FeS m (SH) n - ; m, n = 0-3, 0 < (m + n) ≤ 3] cluster anions, obtained at 2.331 eV (532 nm) and 3.492 eV (355 nm) photon energies, are reported. The electronic structure and bonding properties of these clusters are additionally investigated at different levels of density functional theory. The most probable structures and ground state spin multiplicity for these cluster anions are tentatively assigned by comparing their theoretical first vertical detachment energies (VDEs) with their respective experiment values. The behavior of S and (SH) as ligands in these iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions is investigated and compared. The experimental first VDEs for Fe(SH) 1-3 - cluster anions are lower than those found for their respective FeS 1-3 - cluster anions. The experimental first VDEs for FeS 1-3 - clusters are observed to increase for the first two S atoms bound to Fe - ; however, due to the formation of an S-S bond for the FeS 3 - cluster, its first VDE is found to be ∼0.41 eV lower than the first VDE for the FeS 2 - cluster. The first VDEs of Fe(SH) 1-3 - cluster anions are observed to increase with the increasing numbers of SH groups. The calculated partial charges of the Fe atom for ground state FeS 1-3 - and Fe(SH) 1-3 - clusters are apparently related to and correlated with their determined first VDEs. The higher first VDE is correlated with a higher, more positive partial charge for the Fe atom of these cluster anions. Iron sulfide/hydrosulfide mixed cluster anions are also explored in this work: the first VDE for FeS(SH) - is lower than that for FeS 2 - , but higher than that for Fe(SH) 2 - ; the first VDEs for FeS 2 (SH) - and FeS(SH) 2 - are close to that for FeS 3 - , but higher than that for Fe(SH) 3 - . The first VDEs of

Properties of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions through photoelectron spectroscopy and density functional theory calculations

NASA Astrophysics Data System (ADS)

Yin, Shi; Bernstein, Elliot R.

2016-10-01

A new magnetic-bottle time-of-flight photoelectron spectroscopy (PES) apparatus is constructed in our laboratory. The PES spectra of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide [FeSm(SH)n-; m, n = 0-3, 0 < (m + n) ≤ 3] cluster anions, obtained at 2.331 eV (532 nm) and 3.492 eV (355 nm) photon energies, are reported. The electronic structure and bonding properties of these clusters are additionally investigated at different levels of density functional theory. The most probable structures and ground state spin multiplicity for these cluster anions are tentatively assigned by comparing their theoretical first vertical detachment energies (VDEs) with their respective experiment values. The behavior of S and (SH) as ligands in these iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions is investigated and compared. The experimental first VDEs for Fe(SH)1-3- cluster anions are lower than those found for their respective FeS1-3- cluster anions. The experimental first VDEs for FeS1-3- clusters are observed to increase for the first two S atoms bound to Fe-; however, due to the formation of an S-S bond for the FeS3- cluster, its first VDE is found to be ˜0.41 eV lower than the first VDE for the FeS2- cluster. The first VDEs of Fe(SH)1-3- cluster anions are observed to increase with the increasing numbers of SH groups. The calculated partial charges of the Fe atom for ground state FeS1-3- and Fe(SH)1-3- clusters are apparently related to and correlated with their determined first VDEs. The higher first VDE is correlated with a higher, more positive partial charge for the Fe atom of these cluster anions. Iron sulfide/hydrosulfide mixed cluster anions are also explored in this work: the first VDE for FeS(SH)- is lower than that for FeS2-, but higher than that for Fe(SH)2-; the first VDEs for FeS2(SH)- and FeS(SH)2- are close to that for FeS3-, but higher than that for Fe(SH)3-. The first VDEs of general iron sulfide, hydrosulfide, and

Controlling the Photocorrosion of Zinc Sulfide Nanoparticles in Water by Doping with Chloride and Cobalt Ions.

PubMed

Weide, Philipp; Schulz, Katharina; Kaluza, Stefan; Rohe, Markus; Beranek, Radim; Muhler, Martin

2016-12-06

Photodegradation under UV light irradiation is a major drawback in photocatalytic applications of sulfide semiconductors. ZnS nanoparticles were doped with very low amounts of chloride or cobalt ions in the ppm range and codoped with chloride and cobalt ions during their synthesis by precipitation in aqueous solution followed by calcination. The high-temperature wurtzite phase annealed at 800 °C had a high susceptibility to UV irradiation in water, while the low-temperature zincblende phase annealed at 400 °C was found to be stable. Chlorine doping increased the rate of photocorrosion in water, whereas cobalt doping led to a stabilization of the ZnS nanoparticles. Based on photochemical and spectroscopic investigations applying UV/vis, X-ray photoelectron, and photoluminescence spectroscopy, the increased susceptibility of Cl-doped ZnS is ascribed to a higher number of surface point defects, whereas the stabilization by Co 2+ is caused by additional recombination pathways for the charge carriers in the bulk, thus avoiding photocorrosion processes at the surface. Additional doping of Cl-doped ZnS with cobalt ions was found to counteract the detrimental effect of the chloride ions efficiently.

A strategy to improve the energy conversion efficiency and stability of quantum dot-sensitized solar cells using manganese-doped cadmium sulfide quantum dots.

PubMed

Gopi, Chandu V V M; Venkata-Haritha, M; Kim, Soo-Kyoung; Kim, Hee-Je

2015-01-14

This article describes the effect of manganese (Mn) doping in CdS to improve the photovoltaic performance of quantum dot sensitized solar cells (QDSSCs). The performances of the QDSSCs are examined in detail using a polysulfide electrolyte with a copper sulfide (CuS) counter electrode. Under the illumination of one sun (AM 1.5 G, 100 mW cm(-2)), 10 molar% Mn-doped CdS QDSSCs exhibit a power conversion efficiency (η) of 2.85%, which is higher than the value of 2.11% obtained with bare CdS. The improved photovoltaic performance is due to the impurities from Mn(2+) doping of CdS, which have an impact on the structure of the host material and decrease the surface roughness. The surface roughness and morphology of Mn-doped CdS nanoparticles can be characterised from atomic force microscopy images. Furthermore, the cell device based on the Mn-CdS electrode shows superior stability in the sulfide/polysulfide electrolyte in a working state for over 10 h, resulting in a highly reproducible performance, which is a serious challenge for the Mn-doped solar cell. Our finding provides an effective method for the fabrication of Mn-doped CdS QDs, which can pave the way to further improve the efficiency of future QDSSCs.

Magnetization reversal process and evaluation of thermal stability factor in Cu doped granular L10 FePt films

NASA Astrophysics Data System (ADS)

Jain, S.; Papusoi, C.; Admana, R.; Yuan, H.; Acharya, R.

2018-05-01

Curie temperature TC distributions and magnetization reversal mechanism in Cu doped L10 FePt granular films is investigated as a function of film thickness in the range of ˜5-12 nm with Cu mol. % varying in the range of 0%-6%. It is shown that Cu doping increases the FePt tetragonality and chemical ordering. For Cu doped FePt-X films, coercivity (HC) exhibits a non-monotonic behavior with increasing film thickness, i.e., HC increases initially up to tcr ˜ 7 nm, and decreases thereafter. We attribute this behavior to the change in magnetization reversal mechanism from coherent to an incoherent (domain-wall driven) mode. While in un-doped films, the domain-walls nucleate at the grain boundaries, in doped films the Cu atoms may act as domain-wall nucleation and pinning sites, isolating magnetic spin clusters of reduced dimensionality with respect to the physical grain size. This is experimentally supported by a much poorer dependence of the AC susceptibility (both, real and imaginary components) on the film thickness above 7 nm than in the case of un-doped films. The formation of magnetic spin clusters inside the grains as a consequence of the reduced coupling between Fe-Fe and Fe-Pt-Fe atoms with increasing Cu doping can explain the experimentally evidenced reduction of both, the film Curie temperature, TC, and intrinsic anisotropy energy density, KC, with increasing Cu doping.

Investigation of the physical, optical, and photocatalytic properties of CeO2/Fe-doped InVO4 composite

NASA Astrophysics Data System (ADS)

Chaison, Jindaporn; Wetchakun, Khatcharin; Wetchakun, Natda

2017-12-01

The CeO2/Fe-doped InVO4 composites with various Fe concentrations (0.5, 1.0, 2.0, 5.0 and 6.0 mol%) was synthesized by homogeneous precipitation and hydrothermal methods. The as-synthesized samples were characterized by powder X-ray diffraction (XRD), Brunauer Emmett and Teller (BET)-specific surface area, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and UV-visible diffuse reflectance spectroscopy (DRS). Fe-doping into InVO4 crystal induces the distortion of the crystalline structure, the transformation of InVO4 morphology, and the new energy subband level generation of Fe between the CB and VB edge of InVO4. The electron excitation from the VB to Fe orbitals results in the decreased band gap and the extended absorption of visible-light, and thus enhances its photocatalytic performance. Visible-light-driven photocatalytic degradation of Rhodamine B (RhB) dye in water was used to evaluate the photocatalytic performance of CeO2/Fe-doped InVO4 composites. The results revealed that there is an optimum Fe (5.0 mol %) doping level. The composite with the optimum doping level obtains high photocatalytic activity of CeO2/Fe-doped InVO4 composite compared to pure CeO2 and pure InVO4 host. The increase of photocatalytic activity of CeO2/Fe-doped InVO4 composite was ascribed to the surface area, crystal defect, and band gap energy. Moreover, the photocatalytic enhancement is also because iron ions act as a trapping site, which results in the higher separation efficiency of photogenerated electrons and holes pairs in the CeO2/InVO4 composite. The evaluation of radical scavengers confirmed that hydroxyl radical was the main active species during the photodegradation of RhB. These synergistic effects are responsible for the enhanced photocatalytic activity of CeO2/Fe-doped InVO4 composite. Furthermore, the possible enhanced photocatalytic mechanism

Structural and optical properties of cobalt doped multiferroics BiFeO3 nanostructure thin films

NASA Astrophysics Data System (ADS)

Prasannakumara, R.; Naik, K. Gopalakrishna

2018-05-01

Bismuth ferrite (BiFeO3) and Cobalt doped BiFeO3 (BiFe1-XCoXO3) nanostructure thin films were deposited on glass substrates by the sol-gel spin coating method. The X-ray diffraction patterns (XRD) of the grown BiFeO3 and BiFe1-XCoXO3 nanostructure thin films showed distorted rhombohedral structure. The shifting of peaks to higher angles was observed in cobalt doped BiFeO3. The surface morphology of the BiFeO3 and BiFe1-XCoXO3 nanostructure thin films were studied using FESEM, an increase in grain size was observed as Co concentration increases. The thickness of the nanostructure thin films was examined using FESEM cross-section. The EDX studies confirmed the elemental composition of the grown BiFeO3 and BiFe1-XCoXO3 nanostructure thin films. The optical characterizations of the grown nanostructure thin films were carried out using FTIR, it confirms the existence of Fe-O and Bi-O bands and UV-Visible spectroscopy shows the increase in optical band gap of the BiFeO3 nanostructure thin films with Co doping by ploting Tauc plot.

Transparent nanostructured Fe-doped TiO2 thin films prepared by ultrasonic assisted spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Rasoulnezhad, Hossein; Hosseinzadeh, Ghader; Ghasemian, Naser; Hosseinzadeh, Reza; Homayoun Keihan, Amir

2018-05-01

Nanostructured TiO2 and Fe-doped TiO2 thin films with high transparency were deposited on glass substrate through ultrasonic-assisted spray pyrolysis technique and were used in the visible light photocatalytic degradation of MB dye. The resulting thin films were characterized by scanning electron microscopy (SEM), Raman spectroscopy, photoluminescence spectroscopy, x-ray diffraction (XRD), and UV-visible absorption spectroscopy techniques. Based on Raman spectroscopy results, both of the TiO2 and Fe-doped TiO2 films have anatase crystal structure, however, because of the insertion of Fe in the structure of TiO2 some point defects and oxygen vacancies are formed in the Fe-doped TiO2 thin film. Presence of Fe in the structure of TiO2 decreases the band gap energy of TiO2 and also reduces the electron–hole recombination rate. Decreasing of the electron–hole recombination rate and band gap energy result in the enhancement of the visible light photocatalytic activity of the Fe-doped TiO2 thin film.

XRD analysis of undoped and Fe doped TiO{sub 2} nanoparticles by Williamson Hall method

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

Bharti, Bandna; Barman, P. B.; Kumar, Rajesh, E-mail: rajesh.kumar@juit.ac.in

2015-08-28

Undoped and Fe doped titanium dioxide (TiO{sub 2}) nanoparticles were synthesized by sol-gel method at room temperature. The synthesized samples were annealed at 500°C. For structural analysis, the prepared samples were characterized by X-ray diffraction (XRD). The crystallite size of TiO{sub 2} and Fe doped TiO{sub 2} nanoparticles were calculated by Scherer’s formula, and was found to be 15 nm and 11 nm, respectively. Reduction in crystallite size of TiO{sub 2} with Fe doping was observed. The anatase phase of Fe-doped TiO{sub 2} nanoparticles was also confirmed by X-ray diffraction. By using Williamson-Hall method, lattice strain and crystallite size weremore » also calculated. Williamson–Hall plot indicates the presence of compressive strain for TiO{sub 2} and tensile strain for Fe-TiO{sub 2} nanoparticles annealed at 500°C.« less

Magnetism mediated by a majority of [Fe3+ + \\mathbf{V}_{\\mathbf{O}}^{\\mathbf{2-}} ] complexes in Fe-doped CeO2 nanoparticles

NASA Astrophysics Data System (ADS)

Paidi, V. K.; Ferreira, N. S.; Goltz, D.; van Lierop, J.

2015-08-01

We examine the role of Fe3+ and vacancies ({{V}\\text{O}} ) on the magnetism of Fe-doped CeO2 nanoparticles. Magnetic nanoparticles of Ce100-xFexO2 (x  =  0, 0.26, 1.82, 2.64, 5.26, 6.91, and 7.22) were prepared by a co-precipitation method, and their structural, compositional and magnetic properties were investigated. The CeO2 nanoparticles had a mixed valance of Ce4+ and Ce3+ ions, and doping introduced Fe3+ ions. The decrease in Ce3+ and increase in Fe3+ concentrations indicated the presence of more [Fe3+ +V\\text{O}2- ] complexes with Fe loading in the particles. Charge neutralization, Fe3+ + V\\text{O}2- + 2Ce4+ ≤ftrightarrow 2Ce3+ + Fe3+, identified the impact of {{V}\\text{O}} on the magnetism, where our results suggest that the Fe-doped CeO2 nanoparticle magnetism is mediated by a majority of [Fe3+ +V\\text{O}2- ]—Ce3+ —[Fe3+ +V\\text{O}2- ] complexes.

Dielectric and domain studies on Fe doped KNbO3 single crystal

NASA Astrophysics Data System (ADS)

Shamkuwar, Sanjaykumar H.; Patil, Naresh M.; Korde, Vivek B.; Pradnyakar, Namrata V.

2018-05-01

Synthesis of Fe doped KNbO3 single crystals by flux method is reported here. The effect of Fe-doping on phase transition temperatures of KNbO3 single crystals was investigated using dielectric studies. The phase transition temperatures were found to be 225°C and 425°C which almost same as reported by others. The domain studies were carried out using metallurgical microscope and it shows the presence of 60° and 90° domains in the grown crystals.

A facile method to synthesize boron-doped Ni/Fe alloy nano-chains as electrocatalyst for water oxidation

NASA Astrophysics Data System (ADS)

Yang, Yisu; Zhuang, Linzhou; Lin, Rijia; Li, Mengran; Xu, Xiaoyong; Rufford, Thomas E.; Zhu, Zhonghua

2017-05-01

We report a novel magnetic field assisted chemical reduction method for the synthesis of boron-doped Ni/Fe nano-chains as promising catalysts for the oxygen evolution reaction (OER). The boron-doped Ni/Fe nano-chains were synthesised in a one step process at room temperature using NaBH4 as a reducing agent. The addition of boron reduced the magnetic moment of the intermediate synthesis products and produced nano-chains with a high specific surface area of 73.4 m2 g-1. The boron-doped Ni/Fe nano-chains exhibited catalytic performance superior to state-of-the-art Ba0.5Sr0.5Co0.8Fe0.2O3-δ perovskite and RuO2 noble metal oxide catalysts. The mass normalized activity of the boron-doped Ni/Fe nano-chains measured at an overpotential of 0.35 V was 64.0 A g-1, with a Tafel slope of only 40 mV dec-1. The excellent performance of the boron-doped Ni/Fe nano-chains can be attributed to the uniform elemental distribution and highly amorphous structure of the B-doped nano-chains. These results provide new insights into the effect of doping transition-metal based OER catalysts with non-metallic elements. The study demonstrates a facile approach to prepare transition metal nano-chains using magnetic field assisted chemical reduction method as cheap and highly active catalysts for electrochemical water oxidation.

RGO modified Ni doped FeOOH for enhanced electrochemical and photoelectrochemical water oxidation

NASA Astrophysics Data System (ADS)

Zhang, Xiaofan; Zhang, Bingyan; Liu, Shuangshuang; Kang, Hongwei; Kong, Weiqian; Zhang, Shouren; Shen, Yan; Yang, Baocheng

2018-04-01

Ni,Fe-based (oxy)hydroxides have been one of the most active catalysts for the oxygen evolution reaction. In this article, reduced graphene oxide supported Ni doped FeOOH (RGO/Ni:FeOOH) was prepared for electrochemical and photoelectrochemical (PEC) water oxidation. The RGO/Ni:FeOOH exhibited a lower over-potential (260 mV at 10 mA cm-2) and smaller Tafel slope (32.3 mV dec-1) than that of the FeOOH and Ni:FeOOH. Such significant enhancement is attributed to Ni doping and RGO, which reduce the over-potential, improve the conductivity and enlarge surface areas. Besides, RGO/Ni:FeOOH decorated the TiO2 nanorods (NRs) was also fabricated for photoelectrochemical (PEC) water oxidation, which exhibited a higher photocurrent density and lower onset potential than that of TiO2 NRs the bare under illumination due to the synergistic effect of RGO and Ni:FeOOH. These results demonstrate the RGO/Ni:FeOOH has great promising as a co-catalyst to improve the PEC performance.

Intralayer doping effects on the high-energy magnetic correlations in NaFeAs

DOE PAGES

Pelliciari, Jonathan; Huang, Yaobo; Das, Tanmoy; ...

2016-04-26

We used resonant inelastic x-ray scattering (RIXS) and dynamical susceptibility calculations to study the magnetic excitations in NaFe 1$-$xCo xAs ( x=0 , 0.03, and 0.08). Despite a relatively low ordered magnetic moment, collective magnetic modes are observed in parent compounds (x=0) and persist in optimally (x= 0.03) and overdoped (x = 0.08) samples. Their magnetic bandwidths are unaffected by doping within the range investigated. High-energy magnetic excitations in iron pnictides are robust against doping and present irrespectively of the ordered magnetic moment. Nonetheless, Co doping slightly reduces the overall magnetic spectral weight, differently from previous studies on hole-doped BaFemore » 2As 2 , where it was observed constant. Finally, we demonstrate that the doping evolution of magnetic modes is different for the dopants being inside or outside the Fe-As layer.« less

Investigation of Co, Ni and Fe Doped II-VI Chalcogenides

DTIC Science & Technology

2013-01-04

dopants to the Fe ions. Figure 4. Cobalt doped ZnSe (7×3.1×50 mm3) samples after annealing for 7 days at 950C. A B 8 Approved for public...distribution unlimited. 4.2 Cobalt doped samples ........................................................................................................77...curve for the deposition monitor used for cobalt deposition during magnetron spattering at 1000 nm; B) percentage transmission of a cobalt thin film

Mg-doped Li2FeSiO4/C as high-performance cathode material for lithium-ion battery

NASA Astrophysics Data System (ADS)

Qu, Long; Luo, Dong; Fang, Shaohua; Liu, Yi; Yang, Li; Hirano, Shin-ichi; Yang, Chun-Chen

2016-03-01

Mg-doped Li2FeSiO4/C is synthesized by using Fe2O3 nanoparticle as iron source. Through Rietveld refinement of X-ray diffraction data, it is confirmed that Mg-doped Li2FeSiO4 owns monoclinic P21/n structure and Mg occupies in Fe site in the lattice. Through energy dispersive X-ray measurement, it is detected that Mg element is distributed homogenously in the resulting product. The results of transmission electron microscopy measurement reveal that the effect of Mg-doping on Li2FeSiO4 crystallite size is not obvious. As a cathode material for lithium-ion battery, this Mg-doped Li2FeSiO4/C delivers high discharge capacity of 190 mAh g-1 (the capacity was with respect to the mass of Li2FeSiO4) at 0.1C and its capacity retention of 100 charge-discharge cycles reaches 96% at 0.1C. By the analysis of electrochemical impedance spectroscopy, it is concluded that Mg-doping can help to decrease the charge-transfer resistance and increase the Li+ diffusion capability.

Crystal Structure, Magnetic and Optical Properties of Mn-Doped BiFeO₃ by Hydrothermal Synthesis.

PubMed

Zhang, Ning; Wei, Qinhua; Qin, Laishun; Chen, Da; Chen, Zhi; Niu, Feng; Wang, Jiangying; Huanag, Yuexiang

2017-01-01

In this paper, Mn doped BiFeO₃ were firstly synthesized by hydrothermal process. The influence of Mn doping on structural, optical and magnetic properties of BiFeO₃ was studied. The different amounts of Mn doping in BiFeO₃ were characterized by X-ray diffraction, Scanning Electron Microscope, Energy Dispersive X-ray Spectroscope, UV-Vis diffuse reflectance spectroscopy and magnetic measurements. The X-ray diffraction (XRD) patterns confirmed the formation of pure phase rhombohedral structure in BiFe(1−x) Mn (x) O₃ (x = 0.01, 0.03, 0.05, 0.07) samples. The morphologies and chemical compositions of as-prepared samples could be observed by Scanning Electron Microscope (SEM) and Energy Dispersive X-ray Spectroscope (EDS). A relative large saturated magnetization (Ms) of 0.53 emu/g for x = 0.07 sample was obtained at room temperature, which is considered to be Mn ions doping. UV-Vis diffuse reflectance spectroscopy showed strong absorption of light in the range of 200–1000 nm, indicating the optical band gap in the visible region for these samples. This implied that BiFe(1−x) Mn(x)O₃ may be a potential photocatalyst for utilizing solar energy.

Structural analysis and ferroelectric properties of Fe doped BaTiO{sub 3}

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

Mishra, Ashutosh, E-mail: a.mansuri14@gmail.com, E-mail: amishra1960@yahoo.co.in; Mansuri, Amantulla, E-mail: a.mansuri14@gmail.com, E-mail: amishra1960@yahoo.co.in; Dwivedi, J. P.

2016-05-23

The polycrystalline samples of Fe doped BaTiO{sub 3} (BTO) with compositional formula BaTi{sub 1-x}Fe{sub x}O{sub 3} (x = 0, 0.03, 0.04 and 0.05) were prepared by solid-state reaction route. The influence of the Fe content on the structural, vibrational and electric properties of BaTiO{sub 3} was investigated using X-ray powder diffraction (XRD), Raman spectroscopy and Polarization techniques. XRD analysis indicates the formation of single-phase tetragonal structure for all the prepared samples. Tetragonal cubic structure with space group P4mm of all samples is further approved by Rietveld refinement. Room temperature Raman spectra of pure BaTiO{sub 3} show four active modes ofmore » vibration whose intensity decreases with increasing Fe doping. Small shift in Raman modes and increment in the line width has been observed with the doping ions. The hysteresis loop is very well performed with regular sharp characteristic of ferroelectric materials.« less

Fe-Doping Effect on Thermoelectric Properties of p-Type Bi0.48Sb1.52Te3

PubMed Central

Mun, Hyeona; Lee, Kyu Hyoung; Kim, Suk Jun; Kim, Jong-Young; Lee, Jeong Hoon; Lim, Jae-Hong; Park, Hee Jung; Roh, Jong Wook; Kim, Sung Wng

2015-01-01

The substitutional doping approach has been shown to be an effective strategy to improve ZT of Bi2Te3-based thermoelectric raw materials. We herein report the Fe-doping effects on electronic and thermal transport properties of polycrystalline bulks of p-type Bi0.48Sb1.52Te3. After a small amount of Fe-doping on Bi/Sb-sites, the power factor could be enhanced due to the optimization of carrier concentration. Additionally, lattice thermal conductivity was reduced by the intensified point-defect phonon scattering originating from the mass difference between the host atoms (Bi/Sb) and dopants (Fe). An enhanced ZT of 1.09 at 300 K was obtained in 1.0 at% Fe-doped Bi0.48Sb1.52Te3 by these synergetic effects. PMID:28787981

When Al-Doped Cobalt Sulfide Nanosheets Meet Nickel Nanotube Arrays: A Highly Efficient and Stable Cathode for Asymmetric Supercapacitors.

PubMed

Huang, Jun; Wei, Junchao; Xiao, Yingbo; Xu, Yazhou; Xiao, Yujuan; Wang, Ying; Tan, Licheng; Yuan, Kai; Chen, Yiwang

2018-03-27

Although cobalt sulfide is a promising electrode material for supercapacitors, its wide application is limited by relative poor electrochemical performance, low electrical conductivity, and inefficient nanostructure. Here, we demonstrated that the electrochemical activity of cobalt sulfide could be significantly improved by Al doping. We designed and fabricated hierarchical core-branch Al-doped cobalt sulfide nanosheets anchored on Ni nanotube arrays combined with carbon cloth (denoted as CC/H-Ni@Al-Co-S) as an excellent self-standing cathode for asymmetric supercapacitors (ASCs). The combination of structural and compositional advantages endows the CC/H-Ni@Al-Co-S electrode with superior electrochemical performance with high specific capacitance (1830 F g -1 /2434 F g -1 at 5 mV s -1 /1 A g -1 ) and excellent rate capability (57.2%/72.3% retention at 1000 mV s -1 /100 A g -1 ). The corresponding all-solid-state ASCs with CC/H-Ni@Al-Co-S and multilayer graphene/CNT film as cathode and anode, respectively, achieve a high energy density up to 65.7 W h kg -1 as well as superb cycling stability (90.6% retention after 10 000 cycles). Moreover, the ASCs also exhibit good flexibility and stability under different bending conditions. This work provides a general, effective route to prepare high-performance electrode materials for flexible all-solid-state energy storage devices.

The effect of CO2 gas adsorption on the electrical properties of Fe doped TiO2 films

NASA Astrophysics Data System (ADS)

Mardare, Diana; Adomnitei, Catalin; Florea, Daniel; Luca, Dumitru; Yildiz, Abdullah

2017-11-01

CO2 has to be monitored for indoor air quality, being also an important greenhouse gas. The electrical and sensing gas properties of the undoped and Fe doped TiO2 thin films, obtained by RF sputtering, have been investigated in different CO2 atmospheres. It was observed that the response to CO2 increases by Fe doping for the lowest doped film, and then decreases, as the dopant concentration increases. An explanation was given based on multiphonon-assisted hopping model. By studying the films electrical conductivity in front of a certain CO2 atmosphere, we have qualitatively evidenced the semiconducting n-type nature of the films under study, except for the highest Fe doped film which has a p-type behavior. An important finding is that Fe doping determines the decrease of the optimum operating temperature, approaching the room temperature.

Morin transition temperature in (0001)-oriented α-Fe{sub 2}O{sub 3} thin film and effect of Ir doping

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

Shimomura, Naoki, E-mail: shimomura@ecei.tohoku.ac.jp; Pati, Satya Prakash; Sato, Yuji

2015-05-07

The structural properties and Morin transition in c-plane-oriented α-Fe{sub 2}O{sub 3} and Ir-doped α-Fe{sub 2}O{sub 3} thin films have been investigated. The enhancement of the Morin transition temperature (T{sub M}) in α-Fe{sub 2}O{sub 3} film by Ir doping has been demonstrated. The T{sub M} in the c-plane-oriented α-Fe{sub 2}O{sub 3} thin film was determined from the temperature-dependent in-plane magnetization and change of coercivity (H{sub c}); this T{sub M} value was found close to that of bulk α-Fe{sub 2}O{sub 3}. The spin directions of non-doped and Ir-doped α-Fe{sub 2}O{sub 3} at room temperature were also estimated from conversion electron Mössbauer spectroscopymore » measurements. We confirmed that Ir doping dramatically enhances the T{sub M} of α-Fe{sub 2}O{sub 3} thin film.« less

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V xAs

DOE PAGES

Xing, L. Y.; Shi, X.; Richard, P.; ...

2016-09-28

Here we synthesized a series of V-doped LiFe 1₋xV xAs single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that themore » temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz/dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋xV xAs suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.« less

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V xAs

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

Xing, L. Y.; Shi, X.; Richard, P.

Here we synthesized a series of V-doped LiFe 1₋xV xAs single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that themore » temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz/dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋xV xAs suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.« less

Investigation on structural and electrical properties of Fe doped ZnO nanoparticles synthesized by solution combustion method

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

Ram, Mast, E-mail: mastram1999@yahoo.com; Bala, Kanchan; Sharma, Hakikat

In the present study, nanoparticles of Fe doped zinc oxide (ZnO) [Zn{sub 1-x}Fe{sub x}O where x=0.0, 0.01, 0.02, 0.03 and 0.05] were prepared by cost effective solution combustion method. The powder X-ray diffractometry confirms the formation of single phase wurtzite structure. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to investigate the micrsostructure of Fe-doped ZnO nanoparticles. The DC electrical conductivity was found to increase with temperature and measurement was carried out in the temperature range of 300-473K. DC electrical conductivity increases with temperature and decreases with Fe doping concentration.

Universal doping evolution of the superconducting gap anisotropy in single crystals of electron-doped Ba(Fe1‑x Rh x )2As2 from London penetration depth measurements

NASA Astrophysics Data System (ADS)

Kim, Hyunsoo; Tanatar, M. A.; Martin, C.; Blomberg, E. C.; Ni, Ni; Bud’ko, S. L.; Canfield, P. C.; Prozorov, R.

2018-06-01

Doping evolution of the superconducting gap anisotropy was studied in single crystals of 4d-electron doped Ba(Fe1‑x Rh x )2As2 using tunnel diode resonator measurements of the temperature variation of the London penetration depth . Single crystals with doping levels representative of an underdoped regime x  =  0.039 ( K), close to optimal doping x  =  0.057 ( K) and overdoped x  =  0.079 ( K) and x  =  0.131( K) were studied. Superconducting energy gap anisotropy was characterized by the exponent, n, by fitting the data to the power-law, . The exponent n varies non-monotonically with x, increasing to a maximum n  =  2.5 for x  =  0.079 and rapidly decreasing towards overdoped compositions to 1.6 for x  =  0.131. This behavior is qualitatively similar to the doping evolution of the superconducting gap anisotropy in other iron pnictides, including hole-doped (Ba,K)Fe2As2 and 3d-electron-doped Ba(Fe,Co)2As2 superconductors, finding a full gap near optimal doping and strong anisotropy toward the ends of the superconducting dome in the T-x phase diagram. The normalized superfluid density in an optimally Rh-doped sample is almost identical to the temperature-dependence in the optimally doped Ba(Fe,Co)2As2 samples. Our study supports the universal superconducting gap variation with doping and pairing at least in iron based superconductors of the BaFe2As2 family.

FABRICATION AND PHOTOCATALYTIC PROPERTIES OF TiO2 NANOFILMS CO-DOPED WITH Fe3+ AND Bi3+ IONS

NASA Astrophysics Data System (ADS)

Gao, Qiongzhi; Liu, Xin; Liu, Wei; Liu, Fang; Fang, Yueping; Zhang, Shiying; Zhou, Wuyi

2016-12-01

In this work, the titanium dioxide (TiO2) nanofilms co-doped with Fe3+ and Bi3+ ions were successfully fabricated by the sol-gel method with dip-coating process. Methylene blue was used as the target degradation chemical to study the photocatalytic properties affected by different doping contents of Fe3+ and Bi3+ ions. The samples were characterized by X-ray diffractometer (XRD), scanning electron microscopy (SEM) and infrared (IR) spectroscopy. The results indicated that both pure TiO2 nanofilms and single-doped samples possessed the photocatalytic activity in degradation of methylene blue. However, when the nanofilms co-doped with Fe3+ and Bi3+ ions were fabricated at the molar ratio of 3:1 (Fe3+:Bi3+), they exhibited the best photocatalytic activity after the heat treatment at 500∘C for 2h. The wettability property test indicated that the TiO2 nanofilms co-doped with Fe3+ and Bi3+ ions in the molar ratio 3:1 owned an excellent hydrophilic property.

Structural and magnetic properties of calcium doped nickel ferrite nanoparticles by co-precipitation method

NASA Astrophysics Data System (ADS)

Vigneswari, T.; Raji, P.

2017-01-01

It is a truism that a sequence of calcium doped nickel ferrite (with x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) nanoparticles are combined by co-precipitation technique. X-Ray Diffraction (XRD) and Fourier Transform Infrared (FTIR) scrutinize the formation of single-phase inverse spinel structure in all the compositions. The lattice framework increases with the increase in calcium concentration and it exhibits the development of unit cell. Crystallite size in the range of 22-34 nm is viewed and also augmented the level of calcium. The elemental composition of pure and calcium doped nickel ferrite has been procured from Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) and Energy Dispersive X-ray analysis (EDX). It is interesting to note that the substitution of calcium increasingly exerts influence on the magnetic characteristics. These observations paved the way for the room temperature of magnetization measurements. The saturation magnetization and the experimental value of magnetic moment are noticed to enlarge initially up to x = 0.2, and then decrease incessantly with increase in the Ca content x. The increase and the decrease of saturation magnetization have widely been expounded by Neel's collinear two-sublattice model and Yafet-Kittel (Y-K) three-sub lattice model.

Monodisperse Zn-doped Fe3O4 formation and photo-Fenton activity for degradation of rhodamine B in water

NASA Astrophysics Data System (ADS)

Cen, Huoshi; Nan, Zhaodong

2018-10-01

Zn-doped Fe3O4 can be used as a catalyst in the photo-Fenton process to degrade dye molecules dissolved in water, in which cluster-shaped Zn-doped Fe3O4 (CSZnFe) was synthesized. To enhance the catalytic activity, monodisperse Zn-doped Fe3O4 (MZnFe) was facilely synthesized by a modified solvothermal method through replacement of sodium acetate by urea as a base. The particle size of MZnFe was about 9-16 nm. MZnFe exhibits a larger surface area and higher photo-Fenton catalytic activity for degradation of rhodamine B in water than CSZnFe. Additionally, MZnFe exhibits high saturation magnetization (about 80 emu/g), which is very convenient for separation of MZnFe from solution by a magnet. The growth processes for MZnFe were proposed on the basis of results from in situ calorimetry and other techniques, which indicated different formation mechanisms for MZnFe and CSZnFe.

Ultrasensitive ppb-level NO2 gas sensor based on WO3 hollow nanosphers doped with Fe

NASA Astrophysics Data System (ADS)

Zhang, Ziyue; haq, Mahmood; Wen, Zhen; Ye, Zhizhen; Zhu, Liping

2018-03-01

WO3 mesoporous hollow nanospheres doped with Fe synthesized by a facile method have mesoporous hollow nanospherical like morphology, small grain size (10 nm), high crystalline quality and ultrahigh surface area (165 m2/g). XRD spectra and Raman spectra indicate the Fe doping leading to the smaller cell parameters as compared to pure WO3, and the slight distortion in the crystal lattice produces a number of defects, making it a better candidate for gas sensing. XPS analysis shows that Fe-doped WO3 mesoporous hollow nanospheres have more oxygen vacancies than pure WO3, which is beneficial to the adsorption of oxygen and NO2 and its surface reaction. The gas sensor based on Fe-WO3 exhibited excellent low ppb-level (10 ppb) NO2 detecting performance and outstanding selectivity.

Effects of ion doping at different sites on electrical properties of multiferroic BiFeO3 ceramics

NASA Astrophysics Data System (ADS)

Yu, Benfang; Li, Meiya; Liu, Jun; Guo, Dongyun; Pei, Ling; Zhao, Xingzhong

2008-03-01

Pure, La3+ doped at A site, V5+ doped at B site, and La3+ and V5+ co-doped multiferroic BiFeO3 ceramics: BiFeO3 (BFO), Bi0.85La0.15FeO3 (BLF), BiFe0.97V0.03O3 (BFV), Bi0.85La0.15Fe0.97V0.03O3 (BLFV), etc were successfully prepared by a rapid liquid sintering technique. X-ray diffraction indicated that these ceramics were of polycrystalline perovskite structures, accompanied with a tiny residual Bi2O3 phase. It was found that, among these ceramics, BLFV ceramic exhibited the best electrical properties. The leakage current density of BLFV ceramic was only 2.1 × 10-6 A cm-2 at 10 kV cm-1, two and one orders of magnitude lower than those of the BLF and BFV ceramics, respectively. In the measuring frequency of 4 KHz-1 MHz, the dielectric constants and losses of this sample exhibited slight variation and the lowest loss tangent was 0.08. The sample had a relatively saturated ferroelectric hysteresis loop. These suggested that the co-doped BiFeO3 ceramic by La3+ and V5+ at A and B sites showed advantages in application over the pure BFO, doped BLF and BFV ceramics, respectively.

Growth factor of Fe-doped semi-insulating InP by LP-MOCVD

NASA Astrophysics Data System (ADS)

Yan, Xuejin; Zhu, Hongliang; Wang, Wei; Xu, Guoyang; Zhou, Fan; Ma, Chaohua; Wang, Xiaojie; Tian, Huijiang; Zhang, Jingyuan; Wu, Rong Han; Wang, Qiming

1998-08-01

The semi-insulating InP has been grown using ferrocene as a dopant source by low pressure MOCVD. Fe doped semi-insulating InP material whose resistivity is equal to 2.0 X 108(Omega) *cm and the breakdown field is greater than 4.0 X 104Vcm-1 has been achieved. It is found that the magnitude of resistivity increases with growing pressure enhancement under keeping TMIn, PH3, ferrocene [Fe(C5H5)2] flow constant at 620 degrees Celsius growth temperature. Moreover, the experimental results which resistivity varies with ferrocene mole fraction are given. It is estimated that active Fe doping efficiency, (eta) , is equal to 8.7 X 10-4 at 20 mbar growth pressure and 620 degrees Celsius growth temperature by the comparison of calculated and experimental results.

Magnetic phase investigations on fluorine (F) doped LiFePO4

NASA Astrophysics Data System (ADS)

Radhamani, A. V.

2018-03-01

LiFePO4 (LFP) is a very promising cathode material for Li-ion batteries due to its high thermal stability, less toxicity and high theoretical capacity (170 mAh g-1). Anion doping, especially fluorine (F) at the oxygen site is one way to improve the low electronic conductivity of the material. In this line, fluorine doped LFP was prepared at different fluorine concentrations (1 to 40 mol%) to study the structural, spectroscopic and magnetic properties in view of the material property optimization for battery applications. The investigation of the magnetic properties was found to be successful for the determination of small amounts of magnetic impurities which were not noticeably observed from structural characterizations. Determination of conducting magnetic impurities has its own relevance in the current scenario of Li-ion based battery applications. Systematic characterization studies along with the implications of magnetic phases on the material activity of fluorine doped LiFePO4 nanoparticles will be discussed in detail.

Universal doping evolution of the superconducting gap anisotropy in single crystals of electron-doped Ba(Fe1-x Rh x )2As2 from London penetration depth measurements.

PubMed

Kim, Hyunsoo; Tanatar, M A; Martin, C; Blomberg, E C; Ni, Ni; Bud'ko, S L; Canfield, P C; Prozorov, R

2018-06-06

Doping evolution of the superconducting gap anisotropy was studied in single crystals of 4d-electron doped Ba(Fe 1-x Rh x ) 2 As 2 using tunnel diode resonator measurements of the temperature variation of the London penetration depth [Formula: see text]. Single crystals with doping levels representative of an underdoped regime x  =  0.039 ([Formula: see text] K), close to optimal doping x  =  0.057 ([Formula: see text] K) and overdoped x  =  0.079 ([Formula: see text] K) and x  =  0.131([Formula: see text] K) were studied. Superconducting energy gap anisotropy was characterized by the exponent, n, by fitting the data to the power-law, [Formula: see text]. The exponent n varies non-monotonically with x, increasing to a maximum n  =  2.5 for x  =  0.079 and rapidly decreasing towards overdoped compositions to 1.6 for x  =  0.131. This behavior is qualitatively similar to the doping evolution of the superconducting gap anisotropy in other iron pnictides, including hole-doped (Ba,K)Fe 2 As 2 and 3d-electron-doped Ba(Fe,Co) 2 As 2 superconductors, finding a full gap near optimal doping and strong anisotropy toward the ends of the superconducting dome in the T-x phase diagram. The normalized superfluid density in an optimally Rh-doped sample is almost identical to the temperature-dependence in the optimally doped Ba(Fe,Co) 2 As 2 samples. Our study supports the universal superconducting gap variation with doping and [Formula: see text] pairing at least in iron based superconductors of the BaFe 2 As 2 family.

Synthesis and characterization of UV-treated Fe-doped bismuth lanthanum titanate-doped TiO2 layers in dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Song, Myoung Geun; Bark, Chung Wung

2016-06-01

Dye-sensitized solar cells (DSSCs) based on titanium dioxide (TiO2) have been extensively studied because they constitute promising low-cost alternatives to their conventional semiconductor-based counterparts. However, much of the effort aimed at achieving high conversion efficiencies has focused on dye and liquid electrolytes. In this work, we report the photovoltaic characteristics of DSSCs fabricated by mixing TiO2 with Fe-doped bismuth lanthanum titanate (Fe-BLT). These nanosized Fe-BLT powders were prepared by using a high-energy ball-milling process. In addition, we used a UV radiation-ozone (UV-O3) treatment to change the surface wettability of TiO2 from hydrophobic to hydrophilic and thereby prevented the easy separation of the Fe-BLT-mixed TiO2 from the fluorine-doped tin-oxide (FTO) coating glass.

Bio-green synthesis of Fe doped SnO2 nanoparticle thin film

NASA Astrophysics Data System (ADS)

Gattu, Ketan P.; Ghule, Kalyani; Huse, Nanasaheb P.; Dive, Avinash S.; Bagul, Sagar B.; Digraskar, Renuka V.; Sharma, Ramphal; Ghule, Anil V.

2017-05-01

Herein Fe doped SnO2 nanoparticles have been synthesized using simple, cost effective and ecofriendly biosynthesis method, in which remnant water (ideally kitchen waste) collected from soaked Bengal gram beans (Cicer arietinum L.) was used. This extract consists of different bio-molecules which acted as complexing as well as capping agents for synthesis of Fe-doped SnO2 nanoparticles. The X-ray powder diffraction (XRD) and Field-emission scanning electron microscopy (FE-SEM) revealed uniform size distribution with the average size of 6 nm and confirmed the formation of rutile structure with space group (P42/mnm) and nanocrystalline nature of the products with spherical morphology. Further, the gas sensing properties of the materials have been studied in comparison with other gases. The reported gas sensing results are promising, which suggest that the Fe-dopant is a promising noble metal additives to fabricate low cost SnO2 based sensor.

Fe doped TiO2 nanofibers on the surface of graphene sheets for photovoltaics applications

NASA Astrophysics Data System (ADS)

Farhangi, Nasrin; Medina-Gonzalez, Yaocihuatl; Charpentier, Paul A.

2011-08-01

Highly ordered, visible light driven TiO2 nanowire arrays doped with Fe photocatalysts were grown on the surface of functionalized graphene sheets (FGSs) using a sol-gel method with titanium isopropoxide (TIP) monomer, acetic acid (HAc) as the polycondensation agent and iron chloride in the green solvent, supercritical carbon dioxide (scCO2). The morphology of the synthesized materials was studied by SEM and TEM, which showed uniform formation of Fe doped TiO2 nanofibers on the surface of graphene sheets, which acted as a template for nanowire growth through surface -COOH functionalities. Increasing Fe content in the nanowires did not change the morphology significantly. Optical properties of the synthesized composites were examined by UV spectroscopy which showed a significant reduction in band gap with increasing Fe content, i.e. 2.25 eV at 0.6% Fe. The enhancement of the optical properties of synthesized materials was confirmed by photocurrent measurement. The optimum sample containing 0.6% Fe doped TiO2 on the graphene sheets increased the power conversation efficiency by 6-fold in comparison to TiO2 alone.

Synthesis and characterization of rare-earth-doped calcium tungstate nanocrystals

NASA Astrophysics Data System (ADS)

Suneeta, P.; Rajesh, Ch.; Ramana, M. V.

2018-02-01

In this paper, we report synthesis and characterization of rare-earth-ion-doped calcium tungstate (CaWO4) nanocrystals (NCs). Rare-earth ions, such as gadolinium (Gd), neodymium (Nd), praseodymium (Pr), samarium (Sm) and holmium (Ho), were successfully doped in the CaWO4 NCs by changing the synthesis conditions. The adopted synthesis route was found to be fast and eco-friendly. Structural characterizations, such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and compositional analysis, were performed using energy dispersive analysis of X-rays (EDAX) on as-synthesized NCs. The results indicate the size of the NCs ranging between 47 to 68nm and incorporation of rare-earth ions in CaWO4 NCs.

Universal doping evolution of the superconducting gap anisotropy in single crystals of electron-doped Ba(Fe 1–xRh x) 2As 2 from London penetration depth measurements

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

Kim, Hyunsoo; Tanatar, M. A.; Martin, C.

Doping evolution of the superconducting gap anisotropy was studied in single crystals of 4d-electron doped Ba(Fe 1–xRh x) 2As 2 using tunnel diode resonator measurements of the temperature variation of the London penetration depth Δλ( T). Single crystals with doping levels representative of an underdoped regime x = 0.039 ( T c = 15.5 K), close to optimal doping x = 0.057 ( T c = 24.4 K) and overdoped x = 0.079 ( T c = 21.5 K) and x = 0.131( T c = 4.9 K) were studied. Superconducting energy gap anisotropy was characterized by the exponent, n,more » by fitting the data to the power-law, Δλ = AT n. The exponent n varies non-monotonically with x, increasing to a maximum n = 2.5 for x = 0.079 and rapidly decreasing towards overdoped compositions to 1.6 for x = 0.131. This behavior is qualitatively similar to the doping evolution of the superconducting gap anisotropy in other iron pnictides, including hole-doped (Ba,K)Fe 2As 2 and 3d-electron-doped Ba(Fe,Co) 2As 2 superconductors, finding a full gap near optimal doping and strong anisotropy toward the ends of the superconducting dome in the T-x phase diagram. The normalized superfluid density in an optimally Rh-doped sample is almost identical to the temperature-dependence in the optimally doped Ba(Fe,Co) 2As 2 samples. In conclusion, our study supports the universal superconducting gap variation with doping and pairing at least in iron based superconductors of the BaFe 2As 2 family.« less

Universal doping evolution of the superconducting gap anisotropy in single crystals of electron-doped Ba(Fe 1–xRh x) 2As 2 from London penetration depth measurements

DOE PAGES

Kim, Hyunsoo; Tanatar, M. A.; Martin, C.; ...

2018-05-08

Doping evolution of the superconducting gap anisotropy was studied in single crystals of 4d-electron doped Ba(Fe 1–xRh x) 2As 2 using tunnel diode resonator measurements of the temperature variation of the London penetration depth Δλ( T). Single crystals with doping levels representative of an underdoped regime x = 0.039 ( T c = 15.5 K), close to optimal doping x = 0.057 ( T c = 24.4 K) and overdoped x = 0.079 ( T c = 21.5 K) and x = 0.131( T c = 4.9 K) were studied. Superconducting energy gap anisotropy was characterized by the exponent, n,more » by fitting the data to the power-law, Δλ = AT n. The exponent n varies non-monotonically with x, increasing to a maximum n = 2.5 for x = 0.079 and rapidly decreasing towards overdoped compositions to 1.6 for x = 0.131. This behavior is qualitatively similar to the doping evolution of the superconducting gap anisotropy in other iron pnictides, including hole-doped (Ba,K)Fe 2As 2 and 3d-electron-doped Ba(Fe,Co) 2As 2 superconductors, finding a full gap near optimal doping and strong anisotropy toward the ends of the superconducting dome in the T-x phase diagram. The normalized superfluid density in an optimally Rh-doped sample is almost identical to the temperature-dependence in the optimally doped Ba(Fe,Co) 2As 2 samples. In conclusion, our study supports the universal superconducting gap variation with doping and pairing at least in iron based superconductors of the BaFe 2As 2 family.« less

Discrimination among iron sulfide species formed in microbial cultures.

PubMed

Popa, R; Kinkle, B K

2000-10-01

A quantitative method for the study of iron sulfides precipitated in liquid cultures of bacteria is described. This method can be used to quantify and discriminate among amorphous iron sulfide (FeS(amorph)), iron monosulfide minerals such as mackinawite or greigite (FeS(min)), and iron disulfide minerals such as pyrite or marcasite (FeS(2min)) formed in liquid cultures. Degradation of iron sulfides is performed using a modified Cr(2+) reduction method with reflux distillation. The basic steps of the method are: first, separation of FeS(amorph); second, elimination of interfering species of S such as colloidal sulfur (S(c) degrees ), thiosulphate (S(2)O(3)(2-)) and polysulfides (S(x)(2-)); third, separation of FeS(min); and fourth, separation of FeS(2min). The final product is H(2)S which is determined after trapping. The efficiency of recovery is 96-99% for FeS(amorph), 76-88% for FeS(min), and >97% for FeS(2min). This method has a high reproducibility if the experimental conditions are rigorously applied and only glass conduits are used. A well ventilated fume hood must be used because of the toxicity and volatility of several reagents and products. The advantage relative to previously described methods are better resolution for iron sulfide species and use of the same bottles for both incubation of cultures and acid degradation. The method can also be used for Fe/S stoichiometry with sub-sampling and Fe analysis.

Structural transitions and multiferroic properties of high Ni-doped BiFeO3

NASA Astrophysics Data System (ADS)

Betancourt-Cantera, L. G.; Bolarín-Miró, A. M.; Cortés-Escobedo, C. A.; Hernández-Cruz, L. E.; Sánchez-De Jesús, F.

2018-06-01

Nickel doped bismuth ferrite powders, BiFe1-x NixO3 (0 ≤ x ≤ 0.5), were synthesized by high-energy ball milling followed by an annealing at 700 °C. A detailed study about the substitution of Fe3+ by Ni2+ on the crystal structure and multiferroic properties is presented. The X-ray diffraction patterns reveal the formation of rhombohedral structure with small amounts of Bi2Fe4O9 as a secondary phase for x < 0.1. Also it is inferred the stabilization of a Bi25FeO40, sillenite phase, as the amount of Ni2+ substitution increases, reaching up 95.23% of sillenite for x = 0.5. The magnetic behavior indicates the frustration of the G-antiferromagnetic order typical of the un-doped BiFeO3, caused by the presence of small amounts of Ni2+ (x < 0.1) on the structure. The DC conductivity exhibited a little increment with increasing Ni content (up to x = 0.1). Although the conductivity increases, for nickel concentrations of 0.2-0.5, the bismuth ferrites doped with nickel retain their property of being an electrical insulating material. Behavior modifications of electrical conductivity, permittivity and dielectric loss versus frequency are related with crystal structure transformations, when nickel concentration is increased.

Synthesis and Study of Fe-Doped Bi₂S₃ Semimagnetic Nanocrystals Embedded in a Glass Matrix.

PubMed

Silva, Ricardo S; Mikhail, Hanna D; Guimarães, Eder V; Gonçalves, Elis R; Cano, Nilo F; Dantas, Noelio O

2017-07-11

Iron-doped bismuth sulphide (Bi 2- x Fe x S₃) nanocrystals have been successfully synthesized in a glass matrix using the fusion method. Transmission electron microscopy images and energy dispersive spectroscopy data clearly show that nanocrystals are formed with an average diameter of 7-9 nm, depending on the thermic treatment time, and contain Fe in their chemical composition. Magnetic force microscopy measurements show magnetic phase contrast patterns, providing further evidence of Fe incorporation in the nanocrystal structure. The electron paramagnetic resonance spectra displayed Fe 3+ typical characteristics, with spin of 5/2 in the 3d⁵ electronic state, thereby confirming the expected trivalent state of Fe ions in the Bi₂S₃ host structure. Results from the spin polarized density functional theory simulations, for the bulk Fe-doped Bi₂S₃ counterpart, corroborate the experimental fact that the volume of the unit cell decreases with Fe substitutionally doping at Bi1 and Bi2 sites. The Bader charge analysis indicated a pseudo valency charge of 1.322| e | on Fe Bi ₁ and 1.306| e | on Fe Bi ₂ ions, and a spin contribution for the magnetic moment of 5.0 µ B per unit cell containing one Fe atom. Electronic band structures showed that the (indirect) band gap changes from 1.17 eV for Bi₂S₃ bulk to 0.71 eV (0.74 eV) for Bi₂S₃:Fe Bi1 (Bi₂S₃:Fe Bi2 ). These results are compatible with the 3d⁵ high-spin state of Fe 3+ , and are in agreement with the experimental results, within the density functional theory accuracy.

Adsorption of CO2 on Fe-doped graphene nano-ribbons: Investigation of transport properties

NASA Astrophysics Data System (ADS)

Othman, W.; Fahed, M.; Hatim, S.; Sherazi, A.; Berdiyorov, G.; Tit, N.

2017-07-01

Density functional theory combined with the non-equilibrium Green’s function formalism is used to study the conductance response of Fe-doped graphene nano-ribbons (GNRs) to CO2 gas adsorption. A single Fe atom is either adsorbed on GNR’s surface (aFe-graphene) or it substitutes the carbon atom (sFe-graphene). Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurity site. Moreover, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. These behaviours are not only consolidated but rather confirmed by calculating the IV characteristics from which both surface resistance and its sensitivity to the gas are estimated. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing efficient graphene-based solid-state gas sensors.

Facile synthesis of Fe4N/Fe2O3/Fe/porous N-doped carbon nanosheet as high-performance anode for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Dan; Li, Guangshe; Yu, Meijie; Fan, Jianming; Li, Baoyun; Li, Liping

2018-04-01

Iron nitrides are considered as highly promising anode materials for lithium-ion batteries because of their nontoxicity, high abundance, low cost, and higher electrical conductivity. Unfortunately, their limited synthesis routes are available and practical application is still hindered by their fast capacity decay. Herein, a facile and green route is developed to synthesize Fe4N/Fe2O3/Fe/porous N-doped carbon nanosheet composite. The size of Fe4N/Fe2O3/Fe particles is small (10-40 nm) and they are confined in porous N-doped carbon nanosheet. These features are conducive to accommodate volume change well, shorten the diffusion distance and further elevate electrical conductivity. When tested as anode material for lithium-ion batteries, a high discharge capacity of 554 mA h g-1 after 100 cycles at 100 mA g-1 and 389 mA h g-1 after 300 cycles at 1000 mA g-1 are retained. Even at 2000 mA g-1, a high capacity of 330 mA h g-1 can be achieved, demonstrating superior cycling stability and rate performance. New prospects will be brought by this work for the synthesis and the potential application of iron nitrides materials as an anode for LIBs.

Ni doped Fe3O4 magnetic nanoparticles.

PubMed

Larumbe, S; Gómez-Polo, C; Pérez-Landazábal, J I; García-Prieto, A; Alonso, J; Fdez-Gubieda, M L; Cordero, D; Gómez, J

2012-03-01

In this work, the effect of nickel doping on the structural and magnetic properties of Fe3O4 nanoparticles is analysed. Ni(x)Fe(3-x)O4 nanoparticles (x = 0, 0.04, 0.06 and 0.11) were obtained by chemical co-precipitation method, starting from a mixture of FeCl2 x 4H2O and Ni(AcO)2 x 4H2O salts. The analysis of the structure and composition of the synthesized nanoparticles confirms their nanometer size (main sizes around 10 nm) and the inclusion of the Ni atoms in the characteristic spinel structure of the magnetite Fe3O4 phase. In order to characterize in detail the structure of the samples, X-ray absorption (XANES) measurements were performed on the Ni and Fe K-edges. The results indicate the oxidation of the Ni atoms to the 2+ state and the location of the Ni2+ cations in the Fe2+ octahedral sites. With respect to the magnetic properties, the samples display the characteristic superparamagnetic behaviour, with anhysteretic magnetic response at room temperature. The estimated magnetic moment confirms the partial substitution of the Fe2+ cations by Ni2+ atoms in the octahedral sites of the spinel structure.

Luminescence in Sulfides: A Rich History and a Bright Future

PubMed Central

Smet, Philippe F.; Moreels, Iwan; Hens, Zeger; Poelman, Dirk

2010-01-01

Sulfide-based luminescent materials have attracted a lot of attention for a wide range of photo-, cathodo- and electroluminescent applications. Upon doping with Ce3+ and Eu2+, the luminescence can be varied over the entire visible region by appropriately choosing the composition of the sulfide host. Main application areas are flat panel displays based on thin film electroluminescence, field emission displays and ZnS-based powder electroluminescence for backlights. For these applications, special attention is given to BaAl2S4:Eu, ZnS:Mn and ZnS:Cu. Recently, sulfide materials have regained interest due to their ability (in contrast to oxide materials) to provide a broad band, Eu2+-based red emission for use as a color conversion material in white-light emitting diodes (LEDs). The potential application of rare-earth doped binary alkaline-earth sulfides, like CaS and SrS, thiogallates, thioaluminates and thiosilicates as conversion phosphors is discussed. Finally, this review concludes with the size-dependent luminescence in intrinsic colloidal quantum dots like PbS and CdS, and with the luminescence in doped nanoparticles.

Interfacial characteristics and multiferroic properties of ion-doped BiFeO3/NiFe2O4 thin films

NASA Astrophysics Data System (ADS)

Guo, Meiyou; Tan, Guoqiang; Zheng, Yujuan; Liu, Wenlong; Ren, Huijun; Xia, Ao

2017-05-01

Multi-ion doped BiFeO3/NiFe2O4 bilayered thin films were successfully prepared on fluorine-doped SnO2/glass (SnO2:F) substrates by sol-gel method. The crystalline structure, leakage current, interfacial characteristics, and multiferroic properties were investigated in detail. The results of Rietveld refinement showed that the structure of BSrSFMC layer is transformed from rhombohedral to tetragonal structure by the means of ion-doping. The difference of leakage current density of the BSrSFMC/NiFe2O4 (NFO) bilayered films of the -40 V to 40 V and 40 V to -40 V are 0.32 × 10-5 and 1.13 × 10-5 A/cm2, respectively. It was observed that there are obvious interface effects between BSrSFMC and NFO layers, which will cause the accumulation of space charges and the establishment of built-in internal electric field (EI) at the interface. Therefore, different EI directions will affect the dipoles reversal and migration of carriers in the BSrSFMC layer, which will result in different values of transient current with the same applied voltage in the opposite directions. The larger coercive field (Ec ˜ 750 kV/cm) of BSrSFMC/NFO film indicated that there is a tensile stress at the interface between BSrSFMC and NFO layers, making the polarization difficult. These results showed that the above interesting phenomena of the J-V are closely related to the interface effects between the layer of BiFeO3 and NiFe2O4.

Transport and magnetic properties of Fe doped CaMnO3

NASA Astrophysics Data System (ADS)

Neetika; Das, A.; Dhiman, I.; Nigam, A. K.; Yadav, A. K.; Bhattacharyya, D.; Meena, S. S.

2012-12-01

The structural, transport, and magnetic properties of CaMn1-xFexO3-δ (0.0 ≤ x ≤ 0.3) have been studied by using resistivity, magnetization, and neutron powder diffraction techniques. The compounds are found to be isostructural and crystallize in GdFeO3-type orthorhombic structure (space group Pnma). With Fe doping, no structural change is observed. Mössbauer and paramagnetic susceptibility measurements show that Fe substitutes in 4+ valence state, and XANES measurements indicate the presence of mixed valence state of Mn. The compounds exhibit insulating behavior in the studied temperature range. The temperature dependence of resistivity is found to be described by small polaron model for x = 0 and variable range hopping model for x = 0.1. For higher x values, it follows a parallel combination resistance model. A small reduction in TN from 120 K to 100 K with increase in x is found. The magnetic structure changes from Gz-type collinear antiferromagnetic (AFM) structure for x = 0.0 to canted AFM structure GZFY-type for Fe doped compounds. The AFM component of the moment progressively decreases with x while FM component exhibits a maximum at x = 0.2.

Electronic conduction in doped multiferroic BiFeO3

NASA Astrophysics Data System (ADS)

Yang, Chan-Ho; Seidel, Jan; Kim, Sang-Yong; Gajek, M.; Yu, P.; Holcomb, M. B.; Martin, L. W.; Ramesh, R.; Chu, Y. H.

2009-03-01

Competition between multiple ground states, that are energetically similar, plays a key role in many interesting material properties and physical phenomena as for example in high-Tc superconductors (electron kinetic energy vs. electron-electron repulsion), colossal magnetoresistance (metallic state vs. charge ordered insulating state), and magnetically frustrated systems (spin-spin interactions). We are exploring the idea of similar competing phenomena in doped multiferroics by control of band-filling. In this paper we present systematic investigations of divalent Ca doping of ferroelectric BiFeO3 in terms of structural and electronic conduction properties as well as diffusion properties of oxygen vacancies.

Solid-Solution Anion-Enhanced Electrochemical Performances of Metal Sulfides/Selenides for Sodium-Ion Capacitors: The Case of FeS2- xSe x.

PubMed

Long, Yaqiong; Yang, Jing; Gao, Xin; Xu, Xuena; Fan, Weiliu; Yang, Jian; Hou, Shifeng; Qian, Yitai

2018-04-04

Transition-metal sulfides/selenides are explored as advanced electrode materials for nonaqueous sodium-ion capacitors, using FeS 2- x Se x as an example. A solid solution of S/Se in FeS 2- x Se x allows it to combine the high capacity of FeS 2 and the good diffusion kinetics of FeSe 2 together, thereby exhibiting excellent cycle stability (∼220 mA h g -1 after 6000 cycles at 2 A g -1 ) and superior rate capability (∼210 mA h g -1 at 40 A g -1 ) within 0.8-3.0 V. These results are much better than those of FeS 2 and FeSe 2 , confirming the advantages of S/Se solid solution, as supported by EIS spectra, DFT calculations, and electronic conductivity. As FeS 2- x Se x is paired with the activated carbon (AC) as Na-ion capacitors, this device is also better than sodium-ion batteries of FeS 2- x Se x //Na 3 V 2 (PO 4 ) 3 and sodium-ion capacitors of metal oxides//AC, particularly at high rates. These results open a new door for the applications of sulfides/selenides in another device of electrochemical energy storage.

Silver-doped calcium phosphate nanoparticles: synthesis, characterization, and toxic effects toward mammalian and prokaryotic cells.

PubMed

Peetsch, Alexander; Greulich, Christina; Braun, Dieter; Stroetges, Christian; Rehage, Heinz; Siebers, Bettina; Köller, Manfred; Epple, Matthias

2013-02-01

Spherical silver-doped calcium phosphate nanoparticles were synthesized in a co-precipitation route from calcium nitrate/silver nitrate and ammonium phosphate in a continuous process and colloidally stabilized by carboxymethyl cellulose. Nanoparticles with 0.39 wt% silver content and a diameter of about 50-60 nm were obtained. The toxic effects toward mammalian and prokaryotic cells were determined by viability tests and determination of the minimal inhibitory and minimal bactericidal concentrations (MIC and MBC). Three mammalian cells lines, i.e. human mesenchymal stem cells (hMSC) and blood peripheral mononuclear cells (PBMC, monocytes and T-lymphocytes), and two prokaryotic strains, i.e. Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) were used. Silver-doped calcium phosphate nanoparticles and silver acetate showed similar effect toward mammalian and prokaryotic cells with toxic silver concentrations in the range of 1-3 μg mL(-1). Copyright © 2012 Elsevier B.V. All rights reserved.

Correlation-Induced Self-Doping in the Iron-Pnictide Superconductor Ba2Ti2Fe2As4O

NASA Astrophysics Data System (ADS)

Ma, J.-Z.; van Roekeghem, A.; Richard, P.; Liu, Z.-H.; Miao, H.; Zeng, L.-K.; Xu, N.; Shi, M.; Cao, C.; He, J.-B.; Chen, G.-F.; Sun, Y.-L.; Cao, G.-H.; Wang, S.-C.; Biermann, S.; Qian, T.; Ding, H.

2014-12-01

The electronic structure of the iron-based superconductor Ba2Ti2Fe2As4O (Tconset=23.5 K ) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field theory calculations. The electronic states near the Fermi level are dominated by both the Fe 3 d and Ti 3 d orbitals, indicating that the spacer layers separating different FeAs layers are also metallic. By counting the enclosed volumes of the Fermi surface sheets, we observe a large self-doping effect; i.e., 0.25 electrons per unit cell are transferred from the FeAs layer to the Ti2As2O layer, leaving the FeAs layer in a hole-doped state. This exotic behavior is successfully reproduced by our dynamical mean field calculations, in which the self-doping effect is attributed to the electronic correlations in the 3 d shells. Our work provides an alternative route of effective doping without element substitution for iron-based superconductors.

Characterization of Fe-doped SrTiO3/BaTiO3 multilayer films and their ethanol sensing applications

NASA Astrophysics Data System (ADS)

Supasai, Thidarat; Wisitsoraat, Anurat; Hodak, Satreerat

2010-03-01

Fe-doped SrTiO3/BaTiO3 multilayer films have been deposited on alumina substrate using a sol-gel spin coating technique. The field effect scanning electron microscope photographs revealed a mixture of round and facet-shaped crystals in the undoped films. This microstructure disappeared in Fe-doped films which adopted a more porous sponge-like structure. The grain size of the films decreased from 300 nm for undoped films to 100 nm and 70 nm with Fe doping concentrations of 4 and 8 wt%, respectively. The absorption edge energy for X-rays by Fe was found to be about 7121 eV consistent with Fe^2+ oxidation state. Interdigitated electrodes were applied on these films for ethanol gas sensing application. A sensitivity figure of merit based on the relative change in the resistance of the Fe-doped films 8 wt% film was found to be in the 1-3 range for ethanol doses of 100-1000 ppm when operating at 250 C and in the range of 3-10 when the operating temperature was 350 C.

Formation of Copper Sulfide Precipitate in Solid Iron

NASA Astrophysics Data System (ADS)

Urata, Kentaro; Kobayashi, Yoshinao

The growth rate of copper sulfide precipitates has been measured in low carbon steel samples such as Fe-0.3mass%Cu-0.03mass%S-0.1mass%C and Fe-0.1mass%Cu-0.01mass%S- 0.1mass%C. Heat-treatment of the samples was conducted at 1273, 1423 and 1573 K for 100 s - 14.4 ks for precipitation of copper sulfides and then the samples were observed by a scanning electron microscope and a transmission electron microscope to measure the diameter of copper sulfides precipitated in the samples. The growth rate of copper sulfide has been found to be well described by the Ostwald growth model, as follows: R\

Metal sulfide for battery applications

NASA Astrophysics Data System (ADS)

Guidotti, Ronald A.

1988-08-01

A number of metal sulfides can be used in batteries as a cathode (reducible) material as part of an electrochemical couple to provide energy. There are a number of physical and chemical characteristics that can be evaluated for screening potential candidates for use in batteries. These include: cell potential vs. Li, thermal and chemical stability, electrical conductivity, allotropic form (phase), reaction kinetics during discharge, type of discharge mechanism, and material rechargeability. These are reviewed in general, with emphasis on sulfides of copper, iron, and molybdenum which are currently being used as cathodes in Li and Li-alloy batteries. The presence of impurities can adversely impact performance when naturally occurring sulfide minerals are used for battery applications. Sandia National Laboratories uses natural pyrite (FeS2) for its high-temperature, thermally activated Li(Si)/FeS2 batteries. The purification and processing procedures for the FeS2 involves both chemical and physical methods. Flotation was found to yield comparable results as HF leaching for removal of silica, but without the negative health and environmental concerns associated with this technique.

Room Temperature Ferromagnetism of Fe Doped Indium Tin Oxide Based on Dispersed Fe3O4 Nanoparticles

NASA Astrophysics Data System (ADS)

Okada, Koichi; Kohiki, Shigemi; Nishi, Sachio; Shimooka, Hirokazu; Deguchi, Hiroyuki; Mitome, Masanori; Bando, Yoshio; Shishido, Toetsu

2007-09-01

Transmission electron microscopy revealed that Fe3O4 nanoparticles with diameter of ≈200 nm dispersed in Fe doped indium tin oxide (Fe@ITO) powders exhibiting co-occurrence of room temperature ferromagnetism and superparamagnetism. Although we observed no X-ray diffraction peak from Fe related compounds for Fe0.19@ITO (ITO: In1.9Sn0.1O3) powders, the powders showed both hysteresis loop in field dependent magnetization at 300 K and divergence of zero-field-cooled magnetization from field-cooled magnetization. Scanning transmission electron microscopy with energy dispersive X-ray spectroscopy demonstrated that the nanoparticle with diameter of ≈200 nm consists of Fe and oxygen. Transmission electron diffraction revealed that crystal structure of the nanoparticle is inverse spinel type Fe3O4. The Fe3O4 crystalline phase by electron diffraction is consistent with the saturation magnetization of 1.3 μB/Fe and magnetic anomaly at ≈110 K observed for the powders.

Remediation of arsenic-contaminated groundwater by in-situ stimulating biogenic precipitation of iron sulfides.

PubMed

Pi, Kunfu; Wang, Yanxin; Xie, Xianjun; Ma, Teng; Liu, Yaqing; Su, Chunli; Zhu, Yapeng; Wang, Zhiqiang

2017-02-01

Severe health problems due to elevated arsenic (As) in groundwater have made it urgent to develop cost-effective technologies for As removal. This field experimental study tested the feasibility of in-situ As immobilization via As incorporation into newly formed biogenic Fe(II) sulfides in a typical As-affected strongly reducing aquifer at the central part of Datong Basin, China. After periodic supply of FeSO 4 into the aquifer for 25 d to stimulate microbial sulfate reduction, dissolved sulfide concentrations increased during the experiment, but the supplied Fe(II) reacted quickly with sulfide to form Fe(II)-sulfides existing majorly as mackinawite as well as a small amount of pyrite-like minerals in sediments, thereby restricting sulfide build-up in groundwater. After the completion of field experiment, groundwater As concentration decreased from an initial average value of 593 μg/L to 159 μg/L, with an overall As removal rate of 73%, and it further declined to 136 μg/L adding the removal rate up to 77% in 30 d after the experiment. The arsenite/As total ratio gradually increased over time, making arsenite to be the predominant species in groundwater residual As. The good correlations between dissolved Fe(II), sulfide and As concentrations, the increased abundance of As in newly-formed Fe sulfides as well as the reactive-transport modeling results all indicate that As could have been adsorbed onto and co-precipitated with Fe(II)-sulfide coatings once microbial sulfate reduction was stimulated after FeSO 4 supply. Under the strongly reducing conditions, sulfide may facilitate arsenate reduction into arsenite and promote As incorporation into pyrite or arsenopyrite. Therefore, the major mechanisms for the in-situ As-contaminated groundwater remediation can be As surface-adsorption on and co-precipitation with Fe(II) sulfides produced during the experimental period. Copyright © 2016. Published by Elsevier Ltd.

Tracing sources of crustal contamination using multiple S and Fe isotopes in the Hart komatiite-associated Ni-Cu-PGE sulfide deposit, Abitibi greenstone belt, Ontario, Canada

NASA Astrophysics Data System (ADS)

Hiebert, R. S.; Bekker, A.; Houlé, M. G.; Wing, B. A.; Rouxel, O. J.

2016-10-01

Assimilation by mafic to ultramafic magmas of sulfur-bearing country rocks is considered an important contributing factor to reach sulfide saturation and form magmatic Ni-Cu-platinum group element (PGE) sulfide deposits. Sulfur-bearing sedimentary rocks in the Archean are generally characterized by mass-independent fractionation of sulfur isotopes that is a result of atmospheric photochemical reactions, which produces isotopically distinct pools of sulfur. Likewise, low-temperature processing of iron, through biological and abiotic redox cycling, produces a range of Fe isotope values in Archean sedimentary rocks that is distinct from the range of the mantle and magmatic Fe isotope values. Both of these signals can be used to identify potential country rock assimilants and their contribution to magmatic sulfide deposits. We use multiple S and Fe isotopes to characterize the composition of the potential iron and sulfur sources for the sulfide liquids that formed the Hart deposit in the Shaw Dome area within the Abitibi greenstone belt in Ontario (Canada). The Hart deposit is composed of two zones with komatiite-associated Ni-Cu-PGE mineralization; the main zone consists of a massive sulfide deposit at the base of the basal flow in the komatiite sequence, whereas the eastern extension consists of a semi-massive sulfide zone located 12 to 25 m above the base of the second flow in the komatiite sequence. Low δ56Fe values and non-zero δ34S and Δ33S values of the komatiitic rocks and associated mineralization at the Hart deposit is best explained by mixing and isotope exchange with crustal materials, such as exhalite and graphitic argillite, rather than intrinsic fractionation within the komatiite. This approach allows tracing the extent of crustal contamination away from the deposit and the degree of mixing between the sulfide and komatiite melts. The exhalite and graphitic argillite were the dominant contaminants for the main zone of mineralization and the eastern

Ab initio study of (Fe, Ni) doped GaAs: Magnetic, electronic properties and Faraday rotation

NASA Astrophysics Data System (ADS)

Sbai, Y.; Ait Raiss, A.; Bahmad, L.; Benyoussef, A.

2017-06-01

The interesting diluted magnetic semiconductor (DMS), Gallium Arsenide (GaAs), was doped with the transition metals magnetic impurities: iron (Fe) and Nickel (Ni), in one hand to study the magnetic and magneto-optical properties of the material Ga(Fe, Ni) As, in the other hand to investigate the effect of the doping on the properties of this material, the calculations were performed within the spin polarized density functional theory (DFT) and generalized gradient approximation (GGA) with AKAI KKR-CPA method, the density of states (DOS) for different doping concentrations were calculated, giving the electronical properties, as well as the magnetic state and magnetic states energy, also the effect of these magnetic impurities on the Faraday rotation as magneto-optical property. Furthermore, we found the stable magnetic state for our doped material GaAs.

New high pressure experiments on sulfide saturation of high-FeO∗ basalts with variable TiO2 contents - Implications for the sulfur inventory of the lunar interior

NASA Astrophysics Data System (ADS)

Ding, Shuo; Hough, Taylor; Dasgupta, Rajdeep

2018-02-01

In order to constrain sulfur concentration in intermediate to high-Ti mare basalts at sulfide saturation (SCSS), we experimentally equilibrated FeS melt and basaltic melt using a piston cylinder at 1.0-2.5 GPa and 1400-1600 °C, with two silicate compositions similar to high-Ti (Apollo 11: A11, ∼11.1 wt.% TiO2, 19.1 wt.% FeO∗, and 39.6 wt.% SiO2) and intermediate-Ti (Luna 16, ∼5 wt.% TiO2, 18.7 wt.% FeO∗, and 43.8 wt.% SiO2) mare basalts. Our experimental results show that SCSS increases with increasing temperature, and decreases with increasing pressure, which are similar to the results from previous experimental studies. SCSS in the A11 melt is systematically higher than that in the Luna 16 melt, which is likely due to higher FeO∗, and lower SiO2 and Al2O3 concentration in the former. Compared to the previously constructed SCSS models, including those designed for high-FeO∗ basalts, the SCSS values determined in this study are generally lower than the predicted values, with overprediction increasing with increasing melt TiO2 content. We attribute this to the lower SiO2 and Al2O3 concentration of the lunar magmas, which is beyond the calibration range of previous SCSS models, and also more abundant FeTiO3 complexes in our experimental melts that have higher TiO2 contents than previous models' calibration range. The formation of FeTiO3 complexes lowers the activity of FeO∗, a FeO∗silicatemelt , and therefore causes SCSS to decrease. To accommodate the unique lunar compositions, we have fitted a new SCSS model for basaltic melts of >5 wt.% FeO∗ and variable TiO2 contents. Using previous chalcophile element partitioning experiments that contained more complex Fe-Ni-S sulfide melts, we also derived an empirical correction that allows SCSS calculation for basalts where the equilibrium sulfides contain variable Ni contents of 10-50 wt.%. At the pressures and temperatures of multiple saturation points, SCSS of lunar magmas with compositions from

Study of the photocatalytic activity of Fe 3+, Cr 3+, La 3+ and Eu 3+ single-doped and co-doped TiO 2 catalysts produced by aqueous sol-gel processing

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

Malengreaux, Charline M.; Pirard, Sophie L.; Léonard, Géraldine

An aqueous sol-gel process, previously developed for producing undoped and Cu 2+, Ni 2+, Zn 2+ or Pb 2+ doped TiO 2 photocatalysts with remarkably high photocatalytic activity without requiring any calcination step, has been adapted to produce Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped TiO 2 photocatalysts as well as La3+-Fe3+ and Eu3+-Fe3+ co-doped TiO 2 catalysts. The physicochemical properties of the obtained catalysts have been characterized using a suite of complementary techniques, including ICP-AES, XRD, UV-Vis spectroscopy, nitrogen adsorption-desorption and Fe-57 M ssbauer. The active crystalline phase is obtained without requiring any calcination step andmore » all the different catalysts are composed of nanocrystallites of anatase with a size of 6-7 nm and a high specific surface area varying from 181 to 298 m 2 g -1. In this study, the effect of the NO 3:Ti(IV) mole ratio used to induce the peptisation reaction during the synthesis has been studied and the results revealed that this ratio can influence significantly the textural properties of the resulting catalyst. A screening of the photocatalytic activity of the undoped and Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped and co-doped photocatalysts has been performed by evaluating the degradation of 4-nitrophenol under UV-Visible light (330 nm < < 800 nm). This study suggests that the photocatalytic activity is significantly influenced by the dopant nature and content with an optimal dopant content being observed in the case of Fe 3+ or La 3+ single-doped as well as in the case of La 3+-Fe 3+ and Eu 3+-Fe 3+ co-doped catalysts. In the case of Cr 3+ single-doped catalysts, a detrimental effect of the dopant on the photocatalytic degradation of 4-nitrophenol has been observed while no significant influence of the dopant has been detected in the case of Eu 3+ single-doped catalysts. In conclusion, the role of the different dopants in modulating the photocatalytic activity is discussed.« less

Study of the photocatalytic activity of Fe 3+, Cr 3+, La 3+ and Eu 3+ single-doped and co-doped TiO 2 catalysts produced by aqueous sol-gel processing

DOE PAGES

Malengreaux, Charline M.; Pirard, Sophie L.; Léonard, Géraldine; ...

2016-08-30

An aqueous sol-gel process, previously developed for producing undoped and Cu 2+, Ni 2+, Zn 2+ or Pb 2+ doped TiO 2 photocatalysts with remarkably high photocatalytic activity without requiring any calcination step, has been adapted to produce Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped TiO 2 photocatalysts as well as La3+-Fe3+ and Eu3+-Fe3+ co-doped TiO 2 catalysts. The physicochemical properties of the obtained catalysts have been characterized using a suite of complementary techniques, including ICP-AES, XRD, UV-Vis spectroscopy, nitrogen adsorption-desorption and Fe-57 M ssbauer. The active crystalline phase is obtained without requiring any calcination step andmore » all the different catalysts are composed of nanocrystallites of anatase with a size of 6-7 nm and a high specific surface area varying from 181 to 298 m 2 g -1. In this study, the effect of the NO 3:Ti(IV) mole ratio used to induce the peptisation reaction during the synthesis has been studied and the results revealed that this ratio can influence significantly the textural properties of the resulting catalyst. A screening of the photocatalytic activity of the undoped and Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped and co-doped photocatalysts has been performed by evaluating the degradation of 4-nitrophenol under UV-Visible light (330 nm < < 800 nm). This study suggests that the photocatalytic activity is significantly influenced by the dopant nature and content with an optimal dopant content being observed in the case of Fe 3+ or La 3+ single-doped as well as in the case of La 3+-Fe 3+ and Eu 3+-Fe 3+ co-doped catalysts. In the case of Cr 3+ single-doped catalysts, a detrimental effect of the dopant on the photocatalytic degradation of 4-nitrophenol has been observed while no significant influence of the dopant has been detected in the case of Eu 3+ single-doped catalysts. In conclusion, the role of the different dopants in modulating the photocatalytic activity is discussed.« less

Optical spectra of the colloidal Fe-doped manganate CaMn1- x Fe x O3 ( x = 0, 0.01, 0.03, 0.05)

NASA Astrophysics Data System (ADS)

Pham, Duc Huyen Yen; Nguyen, Duc Tho; Pham, Duc Thang; Hoang, Nam Nhat; Pham, The Tan

2013-06-01

We report the optical behaviors of the Fe-doped CaMnO3 family of compounds at low doping concentrations x ≤ 5%. The study aims at assisting the evaluation of the competition between ferroand antiferromagnetic orderings, which is believed to be a cause of many interesting properties of this class of compounds, including the magnetization reversal effect recently discovered. The structural characterization showed a predominant orthorhombic phase with slightly increased cell constants due to doping. The Raman spectra revealed changes associated with the Mn sites, and the IR absorption spectrum showed a characteristic Fe band at 1.2 eV, which should be accompanied by a change of spin. The analysis of the magnetization data allowed us to predict that while the doping reduced the ferromagnetic coupling strength, and therefore the T C , the maximal doping concentration for the effective exchange to be zero was around 14%.

Structural and optical inhomogeneities of Fe doped GaN grown by hydride vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Malguth, E.; Hoffmann, A.; Phillips, M. R.

2008-12-01

We present the results of cathodoluminescence experiments on a set of Fe doped GaN samples with Fe concentrations of 5×1017, 1×1018, 1×1019, and 2×1020 cm-3. These specimens were grown by hydride vapor phase epitaxy with different concentrations of Fe. The introduction of Fe is found to promote the formation of structurally inhomogeneous regions of increased donor concentration. We detect a tendency of these regions to form hexagonal pits at the surface. The locally increased carrier concentration leads to enhanced emission from the band edge and the internal T41(G)-A61(S) transition of Fe3+. In these areas, the luminescence forms a finely structured highly symmetric pattern, which is attributed to defect migration along strain-field lines. Fe doping is found to quench the yellow defect luminescence band and to enhance the blue luminescence band due to the lowering of the Fermi level and the formation of point defects, respectively.

Simultaneous enhancement of magnetic and mechanical properties in Ni-Mn-Sn alloy by Fe doping

PubMed Central

Tan, Changlong; Tai, Zhipeng; Zhang, Kun; Tian, Xiaohua; Cai, Wei

2017-01-01

Both magnetic-field-induced reverse martensitic transformation (MFIRMT) and mechanical properties are crucial for application of Ni-Mn-Sn magnetic shape memory alloys. Here, we demonstrate that substitution of Fe for Ni can simultaneously enhance the MFIRMT and mechanical properties of Ni-Mn-Sn, which are advantageous for its applications. The austenite in Ni44Fe6Mn39Sn11 shows the typical ferromagnetic magnetization with the highest saturation magnetization of 69 emu/g at 223 K. The result shows that an appropriate amount of Fe substitution can really enhance the ferromagnetism of Ni50Mn39Sn11 alloy in austenite, which directly leads to the enhancement of MFIRMT. Meanwhile, the mechanical property significantly improves with Fe doping. When there is 4 at.% Fe added, the compressive and maximum strain reach the maximum value (approximately 725.4 MPa and 9.3%). Furthermore, using first-principles calculations, we clarify the origin of Fe doping on martensitic transformation and magnetic properties. PMID:28230152

Theoretical study of ozone adsorption on the surface of Fe, Co and Ni doped boron nitride nanosheets

NASA Astrophysics Data System (ADS)

Farmanzadeh, Davood; Askari Ardehjani, Nastaran

2018-06-01

In this work, the adsorption of ozone molecule on Fe, Co and Ni doped boron nitride nanosheets (BNNSs) were investigated using density functional theory. The most stable adsorption configurations, charge transfer and adsorption energy of ozone molecule on pure and doped BNNSs are calculated. It is shown that ozone molecule has no remarkable interaction with pure boron nitride nanosheet, it tends to be chemisorbed on Fe, Co and Ni doped BNNSs with adsorption energy in the range of -249.4 to -686.1 kJ/mol. In all configurations, the adsorption of ozone molecule generates a semiconductor by reducing Eg in the pure and Fe, Co and Ni doped boron nitride nanosheet. It shows that the conductance of BNNSs change over the adsorption of ozone molecule. The obtained results in this study can be used in developing BN-based sheets for ozone molecule removal.

Electronic Structure and Reactivity of TM-Doped La1-xSrxCoO3 (TM = Ni, Fe) Catalysts

NASA Astrophysics Data System (ADS)

Grice, S. C.; Flavell, W. R.; Thomas, A. G.; Warren, S.; Marr, P. G.; Jewitt, D. E.; Khan, N.; Dunwoody, P. M.; Jones, S. A.

The catalytic properties of LaCoO3 in the oxidation of organic molecules in aqueous solution are explored as a function of doping with both Sr substitution for La and Fe and Ni substitution for Co. VUV photoemission is used to explore the surface reactivity of the ceramic catalysts in aqueous solution, using H2O as a probe molecule. These measurements are complemented by EXAFS and XANES measurements designed to probe the local defect structure and by GC measurements of catalytic activity in the aqueous epoxidation of crotyl alcohol. We relate the observed catalytic activity to the defect structure of the doped materials. In Ni-doped materials, oxygen vacancies appear to be the predominant defect, whereas in Fe-doped samples, electron holes are stabilised on Fe, leading to very different behaviour in oxidation. The surface reactivity to water is also influenced by the TM d electron count, with water binding more strongly to Fe-doped materials than to those containing Ni. The influence of these factors on the rate of the unwanted hydrogen peroxide decomposition reaction and hence on activity in epoxidation is discussed.

Arsenic repartitioning during biogenic sulfidization and transformation of ferrihydrite

NASA Astrophysics Data System (ADS)

Kocar, Benjamin D.; Borch, Thomas; Fendorf, Scott

2010-02-01

Iron (hydr)oxides are strong sorbents of arsenic (As) that undergo reductive dissolution and transformation upon reaction with dissolved sulfide. Here we examine the transformation and dissolution of As-bearing ferrihydrite and subsequent As repartitioning amongst secondary phases during biotic sulfate reduction. Columns initially containing As(V)-ferrihydrite coated sand, inoculated with the sulfate reducing bacteria Desulfovibrio vulgaris (Hildenborough), were eluted with artificial groundwater containing sulfate and lactate. Rapid and consistent sulfate reduction coupled with lactate oxidation is observed at low As(V) loading (10% of the adsorption maximum). The dominant Fe solid phase transformation products at low As loading include amorphous FeS within the zone of sulfate reduction (near the inlet of the column) and magnetite downstream where Fe(II) (aq) concentrations increase; As is displaced from the zone of sulfidogenesis and Fe(III) (s) depletion. At high As(V) loading (50% of the adsorption maximum), sulfate reduction and lactate oxidation are initially slow but gradually increase over time, and all As(V) is reduced to As(III) by the end of experimentation. With the higher As loading, green rust(s), as opposed to magnetite, is a dominant Fe solid phase product. Independent of loading, As is strongly associated with magnetite and residual ferrihydrite, while being excluded from green rust and iron sulfide. Our observations illustrate that sulfidogenesis occurring in proximity with Fe (hydr)oxides induce Fe solid phase transformation and changes in As partitioning; formation of As sulfide minerals, in particular, is inhibited by reactive Fe(III) or Fe(II) either through sulfide oxidation or complexation.

Controlling the strontium-doping in calcium phosphate microcapsules through yeast-regulated biomimetic mineralization.

PubMed

Huang, Miaojun; Li, Tianjie; Pan, Ting; Zhao, Naru; Yao, Yongchang; Zhai, Zhichen; Zhou, Jiaan; Du, Chang; Wang, Yingjun

2016-10-01

Yeast cells have controllable biosorption on metallic ions during metabolism. However, few studies were dedicated to using yeast-regulated biomimetic mineralization process to control the strontium-doped positions in calcium phosphate microcapsules. In this study, the yeast cells were allowed to pre-adsorb strontium ions metabolically and then served as sacrificing template for the precipitation and calcination of mineral shell. The pre-adsorption enabled the microorganism to enrich of strontium ions into the inner part of the microcapsules, which ensured a slow-release profile of the trace element from the microcapsule. The co-culture with human marrow stromal cells showed that gene expressions of alkaline phosphatase and Collagen-I were promoted. The promotion of osteogenic differentiation was further confirmed in the 3D culture of cell-material complexes. The strategy using living microorganism as 'smart doping apparatus' to control incorporation of trace element into calcium phosphate paved a pathway to new functional materials for hard tissue regeneration.

Optimization Photodetectors from Zinc Sulfide Deposited on Porous Silicon with Different Doping Metals

NASA Astrophysics Data System (ADS)

Nayef, Uday Muhsin; Khalaf, Haider Amer

In this work, the structural properties of the zinc sulfide (ZnS) films have been investigated using X-ray diffraction (XRD) analysis which show an enhancement in the crystallite degree after doping with copper (Cu). Good matching between the ZnS and porous silicon (PS) structure was noted from the atomic force microscope (AFM) results. The reflectivity gave a clear observation of anti-reflected coating improvement for PS layer and more enhancements after the ZnS deposition. The optical properties show a blue shift in the bandgap for the ZnS deposited with higher substrate temperature and a red shift after doped with different elements. For ZnS/PS heterojunction, the electrical resistivity has been increased after PS layer formed and changed with the variation of the pore size and it was much higher after ZnS deposited on the PS. However, use of ZnS:Cu/PS photodetector showed much higher output current at the ultraviolet (UV) region compared to ZnS/PS. The ZnS:Cu/PS photodetector showed higher output current value than that of the ZnS/PS leading to improvement in the quantum efficiency of 42%.

Toxicity of sulfide to early life stages of wild rice (Zizania palustris).

PubMed

Fort, Douglas J; Todhunter, Kevin; Fort, Troy D; Mathis, Michael B; Walker, Rachel; Hansel, Mike; Hall, Scott; Richards, Robin; Anderson, Kurt

2017-08-01

The sensitivity of wild rice (Zizania palustris) to sulfide is not well understood. Because sulfate in surface waters is reduced to sulfide by anaerobic bacteria in sediments and historical information indicated that 10 mg/L sulfate in Minnesota (USA) surface water reduced Z. palustris abundance, the Minnesota Pollution Control Agency established 10 mg/L sulfate as a water quality criterion in 1973. A 21-d daily-renewal hydroponic study was conducted to evaluate sulfide toxicity to wild rice and the potential mitigation of sulfide toxicity by iron (Fe). The hydroponic design used hypoxic test media for seed and root exposure and aerobic headspace for the vegetative portion of the plant. Test concentrations were 0.3, 1.6, 3.1, 7.8, and 12.5 mg/L sulfide in test media with 0.8, 2.8, and 10.8 mg/L total Fe used to evaluate the impact of iron on sulfide toxicity. Visual assessments (i.e., no plants harvested) of seed activation, mesocotyl emergence, seedling survival, and phytoxicity were conducted 10 d after dark-phase exposure. Each treatment was also evaluated for time to 30% emergence (ET30), total plant biomass, root and shoot lengths, and signs of phytotoxicity at study conclusion (21 d). The results indicate that exposure of developing wild rice to sulfide at ≥3.1 mg sulfide/L in the presence of 0.8 mg/L Fe reduced mesocotyl emergence. Sulfide toxicity was mitigated by the addition of Fe at 2.8 mg/L and 10.8 mg/L relative to the control value of 0.8 mg Fe/L, demonstrating the importance of iron in mitigating sulfide toxicity to wild rice. Ultimately, determination of site-specific sulfate criteria taking into account factors that alter toxicity, including sediment Fe and organic carbon, are necessary. Environ Toxicol Chem 2017;36:2217-2226. © 2017 SETAC. © 2017 SETAC.

Dye Oriza sativa glutinosa doped Fe as a active element of Dye Sensitized Solar Cell (DSSC)

NASA Astrophysics Data System (ADS)

Prasada, A. B.; Fadli, U. M.; Cari; Supriyanto, A.

2016-11-01

The aims of the research are to determine the effect of doping Fe (III) Sulphate into dye Oriza sativa glutinosa on the characteristics parameters of solar cells, to determine the optical characteristic, functional group and electrical characteristic of dye Oriza sativa glutinosa doped Fe (III) sulphate. TiO2 nano size as much as 0.5 gr dissolved in 3 ml ethanol. 100 gr black sticky rice (Oriza sativa glutinosa) was immersed in 80 ml ethanol solution (95%) and kept at room temperature without exposing to light. Then it was filtered with a filter paper no.42, and the extracted result was process with chromatography. Furthermore, it was doped with Fe (III) sulphate respectively of 10-1 M, 10-2 M, 10-3 M. The characteristic of dye solution was measured using UV-Visible Spectrophotometer Lambda 25 for absorbance, Elkahfi 100/I-V meter for conductivity amd Keithey 2602A for characterization of current and voltage (I-V). The result showed that the area of dye Oriza sativa glutionosa doped Fe (III) sulphate with concentration 10-1 M the largest, because the value of Voc intercept at 6.40 × 10-1 mV and the value Isc intercept at 1.89 × 10-3 mA, with efficiency value is 0.148%.

Modeling of Sulfide Microenvironments on Mars

NASA Technical Reports Server (NTRS)

Schwenzer, S. P.; Bridges, J. C.; McAdam, A.; Steer, E. D.; Conrad, P. G.; Kelley, S. P.; Wiens, R. C.; Mangold, N.; Grotzinger, J.; Eigenbrode, J. L.;

Synthesis of hierarchical Mg-doped Fe3O4 micro/nano materials for the decomposition of hexachlorobenzene.

PubMed

Su, Guijin; Liu, Yexuan; Huang, Linyan; Lu, Huijie; Liu, Sha; Li, Liewu; Zheng, Minghui

2014-03-01

An ethylene-glycol (EG) mediated self-assembly process was firstly developed to synthesize micrometer-sized nanostructured Mg-doped Fe3O4 composite oxides to decompose hexachlorobenzene (HCB) at 300°C. The synthesized samples were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, energy dispersive X-ray spectroscopy and inductively coupled plasma optical emission spectrometer. The morphology and composition of the composite oxide precursor were regulated by the molar ratio of the magnesium acetate and ferric nitrate as the reactants. Calcination of the precursor particles, prepared with different molar ratio of the metal salts, under a reducing nitrogen atmosphere, generated three kinds of Mg doped Fe3O4 composite oxide micro/nano materials. Their reactivity toward HCB decomposition was likely influenced by the material morphology and content of Mg dopants. Ball-like MgFe2O4-Fe3O4 composite oxide micro/nano material showed superior HCB dechlorination efficiencies when compared with pure Fe3O4 micro/nano material, prepared under similar experimental conditions, thus highlighting the benefits of doping Mg into Fe3O4 matrices. Copyright © 2013 Elsevier Ltd. All rights reserved.

Iron-Nickel Sulfide Compositional Ranges in CM Chondrites: No Simple Plan

NASA Technical Reports Server (NTRS)

Zolensky, Michael; Le, Loan

2003-01-01

Iron-nickel sulfides are found in most or all solar system environments, and are probably the only minerals found in all extraterrestrial materials on hand. Despite this ubiquity, they have only just begun the attention they deserve. The most common Fe-Ni sulfides in chondrites are troilite (FeS), pyrrhotite (Fe(1-x)S) and pentlandite (Fe,Ni)9S8. Troilite is believed to have resulted from sulfidation of metal (Fe-Ni) grains in an H2S-containing environment. Pyrrhotite is produced when friable troilite grains, which are exfoliated from the metal nucleus, are submitted to continued sulfidation. Some asteroids are known to have experienced aqueous alteration, forming products including new generations of sulfides (pyrrhotite and pentlandite). Pentlandite in particular is known to form during such alteration. However, experimental work by Lauretta has indicated that pentlandite may also have been formed during the initial sulfidation process, due to the faster diffusion rate of nickel into the forming sulfide, as compared to iron. Finally, there is considerable evidence for a family of phases intermediate between pyrrhotite and pentlandite, following the trend of the high temperature monosulfide solid solution, something not encountered in terrestrial rocks. Each sulfide has its own particular stability conditions, which have been determined for most phases. The long-term objective of our research is to characterize sulfides in chondritic materials in order to better establish the conditions under which they formed, and the subsequent processes they experienced. Ultimately, it will be possible to infer whether the sulfides in the chondrites were formed in the solar nebula or on asteroids, and if formed on the asteroids, deduce how much alteration has occurred there. Here we explore the relationships between the finest grain size portions of carbonaceous chondrites, these being matrix and chondrule rims; fine-grained materials are the most sensitive to their environment

Spectroscopic studies of gel grown zinc doped calcium hydrogen phosphate dihydrate crystals

NASA Astrophysics Data System (ADS)

Suryawanshi, V. B.; Chaudhari, R. T.

2018-05-01

The influence of zinc doping on the gel grown calcium hydrogen phosphate dihydrate crystals was studied using the spectroscopic techniques, which included SEM, FTIR and EDAX. It was found that, zinc ions transform the morphology of brushite crystals from rectangular plate shaped crystals to branching microcrystal patterns. However in FT-IR spectroscopy, as compared to undoped brushite crystals few vibrations were shifted to higher value. The observed changes in the vibrations were due to the impact of zinc ions. EDAX techniques is use to determine the percentage composition of elements present in the doped crystals. It revealed that the sample was of a mixed composition.

Effects of Surface Electron Doping and Substrate on the Superconductivity of Epitaxial FeSe Films.

PubMed

Zhang, W H; Liu, X; Wen, C H P; Peng, R; Tan, S Y; Xie, B P; Zhang, T; Feng, D L

2016-03-09

Superconductivity in FeSe is greatly enhanced in films grown on SrTiO3 substrates, although the mechanism behind remains unclear. Recently, surface potassium (K) doping has also proven able to enhance the superconductivity of FeSe. Here, by using scanning tunneling microscopy, we compare the K doping dependence of the superconductivity in FeSe films grown on two substrates: SrTiO3 (001) and graphitized SiC (0001). For thick films (20 unit cells (UC)), the optimized superconducting (SC) gaps are of similar size (∼9 meV) regardless of the substrate. However, when the thickness is reduced to a few UC, the optimized SC gap is increased up to ∼15 meV for films on SrTiO3, whereas it remains unchanged for films on SiC. This clearly indicates that the FeSe/SrTiO3 interface can further enhance the superconductivity, beyond merely doping electrons. Intriguingly, we found that this interface enhancement decays exponentially as the thickness increases, with a decay length of 2.4 UC, which is much shorter than the length scale for relaxation of the lattice strain, pointing to interfacial electron-phonon coupling as the likely origin.

Fe-Ni metal and sulfide minerals in CM chondrites: An indicator for thermal history

USGS Publications Warehouse

Kimura, M.; Grossman, J.N.; Weisberg, M.K.

2011-01-01

CM chondrites were subjected to aqueous alteration and, in some cases, to secondary metamorphic heating. The effects of these processes vary widely, and have mainly been documented in silicate phases. Herein, we report the characteristic features of Fe-Ni metal and sulfide phases in 13 CM and 2 CM-related chondrites to explore the thermal history of these chondrites. The texture and compositional distribution of the metal in CM are different from those in unequilibrated ordinary and CO chondrites, but most have similarities to those in highly primitive chondrites, such as CH, CR, and Acfer 094. We classified the CM samples into three categories based on metal composition and sulfide texture. Fe-Ni metal in category A is kamacite to martensite. Category B is characterized by pyrrhotite grains always containing blebs or lamellae of pentlandite. Opaque mineral assemblages of category C are typically kamacite, Ni-Co-rich metal, and pyrrhotite. These categories are closely related to the degree of secondary heating and are not related to degree of the aqueous alteration. The characteristic features of the opaque minerals can be explained by secondary heating processes after aqueous alteration. Category A CM chondrites are unheated, whereas those in category B experienced small degrees of secondary heating. CMs in category C were subjected to the most severe secondary heating process. Thus, opaque minerals can provide constraints on the thermal history for CM chondrites. ?? The Meteoritical Society, 2011.

Sulfide Melts and Chalcophile Element Behavior in High Temperature Systems

NASA Astrophysics Data System (ADS)

Wood, B. J.; Kiseeva, K.

2016-12-01

We recently found that partition coefficients (Di) of many weakly and moderately chalcophile elements (e.g., Cd, Zn, Co, Cr, Pb, Sb, In) between sulfide and silicate melts are simple functions of the FeO content of the silicate liquid: logDi A-Blog[FeO] where [FeO] is the FeO concentration in the silicate, A and B are constants and the latter is related to the valency of the element of interest. In contrast, some strongly chalcophile (e.g Cu, Ni, Ag) and lithophile elements (e.g Mn) show marked deviations from linearity on a plot of logDi vs log[FeO]. More recent experiments show that linear behavior is confined to elements whose affinities for S and O are similar to those of Fe. In the case of elements more strongly lithophile than Fe (Ti, U, REE, Zr, Nb, Ta, Mn) a plot of logDi versus log[FeO] describes a U-shape with the element partitioning strongly into the sulfide at very low FeO and again at very high FeO content of the silicate melt. In contrast, strongly chalcophile elements (Cu, Ni, Ag) describe an n-shape on the plot of logD vs log[FeO]. The result is that lithophile elements such as Nb become more "chalcophile" than Cu at very low and very high FeO contents of the silicate melt. The reasons for this surprising behavior are firstly that, at very low FeO contents the silicate melt dissolves substantial amounts of sulfur, which drives down the activity of FeO and, from mass-action "pulls" the lihophile element into the sulfide. At high FeO contents of the silicate the sulfide itself starts to dissolve substantial amounts of oxygen and lithophile elements follow the oxygen into the sulfide. Given the principles which we have established, we are able to describe the patterns of chalcophile element behavior during partial melting and fractional crystallisation on Earth and also on bodies such as Mercury and Mars which are, respectively, strongly reduced relative to Earth and more oxidised than Earth.

Arsenic Repartitioning during Biogenic Sulfidization and Transformation of Ferrihydrite

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

Kocar, B.; Borch, T; Fendorf, S

Iron (hydr)oxides are strong sorbents of arsenic (As) that undergo reductive dissolution and transformation upon reaction with dissolved sulfide. Here we examine the transformation and dissolution of As-bearing ferrihydrite and subsequent As repartitioning amongst secondary phases during biotic sulfate reduction. Columns initially containing As(V)-ferrihydrite coated sand, inoculated with the sulfate reducing bacteria Desulfovibrio vulgaris (Hildenborough), were eluted with artificial groundwater containing sulfate and lactate. Rapid and consistent sulfate reduction coupled with lactate oxidation is observed at low As(V) loading (10% of the adsorption maximum). The dominant Fe solid phase transformation products at low As loading include amorphous FeS within themore » zone of sulfate reduction (near the inlet of the column) and magnetite downstream where Fe(II){sub (aq)} concentrations increase; As is displaced from the zone of sulfidogenesis and Fe(III){sub (s)} depletion. At high As(V) loading (50% of the adsorption maximum), sulfate reduction and lactate oxidation are initially slow but gradually increase over time, and all As(V) is reduced to As(III) by the end of experimentation. With the higher As loading, green rust(s), as opposed to magnetite, is a dominant Fe solid phase product. Independent of loading, As is strongly associated with magnetite and residual ferrihydrite, while being excluded from green rust and iron sulfide. Our observations illustrate that sulfidogenesis occurring in proximity with Fe (hydr)oxides induce Fe solid phase transformation and changes in As partitioning; formation of As sulfide minerals, in particular, is inhibited by reactive Fe(III) or Fe(II) either through sulfide oxidation or complexation.« less

Arsenic repartitioning during biogenic sulfidization and transformation of ferrihydrite

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

Kocar, Benjamin D.; Borch, Thomas; Fendorf, Scott

Iron (hydr)oxides are strong sorbents of arsenic (As) that undergo reductive dissolution and transformation upon reaction with dissolved sulfide. Here we examine the transformation and dissolution of As-bearing ferrihydrite and subsequent As repartitioning amongst secondary phases during biotic sulfate reduction. Columns initially containing As(V)-ferrihydrite coated sand, inoculated with the sulfate reducing bacteria Desulfovibrio vulgaris (Hildenborough), were eluted with artificial groundwater containing sulfate and lactate. Rapid and consistent sulfate reduction coupled with lactate oxidation is observed at low As(V) loading (10% of the adsorption maximum). The dominant Fe solid phase transformation products at low As loading include amorphous FeS within themore » zone of sulfate reduction (near the inlet of the column) and magnetite downstream where Fe(II)(aq) concentrations increase; As is displaced from the zone of sulfidogenesis and Fe(III)(s) depletion. At high As(V) loading (50% of the adsorption maximum), sulfate reduction and lactate oxidation are initially slow but gradually increase over time, and all As(V) is reduced to As(III) by the end of experimentation. With the higher As loading, green rust(s), as opposed to magnetite, is a dominant Fe solid phase product. Independent of loading, As is strongly associated with magnetite and residual ferrihydrite, while being excluded from green rust and iron sulfide. Our observations illustrate that sulfidogenesis occurring in proximity with Fe (hydr)oxides induce Fe solid phase transformation and changes in As partitioning; formation of As sulfide minerals, in particular, is inhibited by reactive Fe(III) or Fe(II) either through sulfide oxidation or complexation.« less

Iron-sulfide redox flow batteries

DOEpatents

Xia, Guanguang; Yang, Zhenguo; Li, Liyu; Kim, Soowhan; Liu, Jun; Graff, Gordon L

2016-06-14

Iron-sulfide redox flow battery (RFB) systems can be advantageous for energy storage, particularly when the electrolytes have pH values greater than 6. Such systems can exhibit excellent energy conversion efficiency and stability and can utilize low-cost materials that are relatively safer and more environmentally friendly. One example of an iron-sulfide RFB is characterized by a positive electrolyte that comprises Fe(III) and/or Fe(II) in a positive electrolyte supporting solution, a negative electrolyte that comprises S.sup.2- and/or S in a negative electrolyte supporting solution, and a membrane, or a separator, that separates the positive electrolyte and electrode from the negative electrolyte and electrode.

Iron-sulfide redox flow batteries

DOEpatents

Xia, Guan-Guang; Yang, Zhenguo; Li, Liyu; Kim, Soowhan; Liu, Jun; Graff, Gordon L

2013-12-17

Iron-sulfide redox flow battery (RFB) systems can be advantageous for energy storage, particularly when the electrolytes have pH values greater than 6. Such systems can exhibit excellent energy conversion efficiency and stability and can utilize low-cost materials that are relatively safer and more environmentally friendly. One example of an iron-sulfide RFB is characterized by a positive electrolyte that comprises Fe(III) and/or Fe(II) in a positive electrolyte supporting solution, a negative electrolyte that comprises S.sup.2- and/or S in a negative electrolyte supporting solution, and a membrane, or a separator, that separates the positive electrolyte and electrode from the negative electrolyte and electrode.

Characteristics and anticorrosion performance of Fe-doped TiO2 films by liquid phase deposition method

NASA Astrophysics Data System (ADS)

Liu, Yu; Xu, Chao; Feng, ZuDe

2014-09-01

Fe-doped TiO2 thin films were fabricated by liquid phase deposition (LPD) method, using Fe(III) nitrate as both Fe element source and fluoride scavenger instead of commonly-used boric acid (H3BO3). Scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-vis spectrum were employed to examine the effects of Fe element on morphology, structure and optical characteristics of TiO2 films. The as-prepared films were served as photoanode applied to photogenerated cathodic protection of SUS304 stainless steel (304SS). It was observed that the photoelectrochemical properties of the as-prepared films were enhanced with the addition of Fe element compared to the undoped TiO2 film. The highest photoactivity was achieved for Ti13Fe (Fe/Ti = 3 molar ratio) film prepared in precursor bath containing 0.02 M TiF4 + 0.06 M Fe(NO3)3 under white-light illumination. The effective anticorrosion behaviors can be attributed to the Fe element incorporation which decreases the probability of photogenerated charge-carrier recombination and extends the light response range of Fe-doped TiO2 films appeared to visible-light region.

Performance evaluation of Mn and Fe doped SrCo0.9Nb0.1O3-δ cathode for IT-SOFC application

NASA Astrophysics Data System (ADS)

Bele, Lokesh; Lenka, R. K.; Patro, P. K.; Muhmood, L.; Mahata, T.; Sinha, P. K.

2018-02-01

Cathode materials of Mn and Fe doped SrCo0.9Nb0.1O3-δ, are synthesized by solid state route for intermediate temperature fuel cell applications. Phase pure material is obtained after calcining the precursors at 1100 °C. Phase compatibility is observed between this novel cathode material with gadolinia doped ceria (GDC) electrolyte material as reflected in the diffraction pattern. The state of art YSZ electrolyte is not compatible with this cathode material. Average thermal expansion coefficient of the material varies between 17 to 22 X 10-6 K-1 on doping, from room temperature to 800 °C. Increase in thermal expansion coefficient is observed with Mn and Fe doping associated with the loss of oxygen from the crystal. The electrical conductivity of the cathode material decreases with Fe and Mn doping. Mn doped samples show lowest conductivity. From the symmetric cell measurement lower area specific resistance (0.16 Ω-cm2) is obtained for un-doped samples, at 850 °C. From the initial results it can be inferred that Mn/Fe doping improves neither the thermal expansion co-efficient nor the electrochemical activity.

Encapsulation of Fe3O4 Nanoparticles into N, S co-Doped Graphene Sheets with Greatly Enhanced Electrochemical Performance

PubMed Central

Yang, Zunxian; Qian, Kun; Lv, Jun; Yan, Wenhuan; Liu, Jiahui; Ai, Jingwei; Zhang, Yuxiang; Guo, Tailiang; Zhou, Xiongtu; Xu, Sheng; Guo, Zaiping

2016-01-01

Particular N, S co-doped graphene/Fe3O4 hybrids have been successfully synthesized by the combination of a simple hydrothermal process and a subsequent carbonization heat treatment. The nanostructures exhibit a unique composite architecture, with uniformly dispersed Fe3O4 nanoparticles and N, S co-doped graphene encapsulant. The particular porous characteristics with many meso/micro holes/pores, the highly conductive N, S co-doped graphene, as well as the encapsulating N, S co-doped graphene with the high-level nitrogen and sulfur doping, lead to excellent electrochemical performance of the electrode. The N-S-G/Fe3O4 composite electrode exhibits a high initial reversible capacity of 1362.2 mAhg−1, a high reversible specific capacity of 1055.20 mAhg−1 after 100 cycles, and excellent cycling stability and rate capability, with specific capacity of 556.69 mAhg−1 when cycled at the current density of 1000 mAg−1, indicating that the N-S-G/Fe3O4 composite is a promising anode candidate for Li-ion batteries. PMID:27296103

Dielectric and magnetic properties of FE- and Nb-doped CaCu3Ti4O12.

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

Grubbs, Robert K.; Clem, Paul Gilbert; Samara, George A.

2005-08-01

Detailed studies of the properties of ceramic CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) have clarified the physics of this interesting material and revealed several features not reported before. The dielectric relaxational properties of CCTO are explained in terms of a capacitive-layer model, as for an inhomogeneous semiconductor, consisting of semiconducting grains and insulating grain boundaries as also concluded by others. The kinetics of the main [low-temperature (T)] relaxation reveal that two different thermally activated processes in CCTO grains control the dynamics. A likely candidate defect responsible for the two processes is the oxygen vacancy which is a double donor. A higher-Tmore » relaxation is determined by grain boundary conduction. Both Nb and Fe doping lowered both the apparent dielectric constant {var_epsilon}{prime} and the dielectric loss, but increased Fe doping led to more dramatic effects. At 3 at.% Fe doping, the anomalous {var_epsilon}{prime}(T) response was removed, making the CCTO an intrinsic, very-low-loss dielectric. The intrinsic {var_epsilon}{prime}({approx}75) and its T dependence are measured and shown to be largely determined by a low-lying soft TO phonon. At low T, cubic CCTO transforms into an antiferromagnetic phase at T{sub N} = 25 K. T{sub N} is essentially independent of Nb doping (up to 4 at.%) and of hydrostatic pressure (up to {approx}7 kbar), but decreases significantly with Fe doping. Analysis of the high-T dependence of the magnetic susceptibility provided insight into the role of Fe as a dopant. Finally, an {var_epsilon}{prime}(T) anomaly associated with the onset of antiferromagnetic order has been discovered, providing evidence for coupling between the polarization and sublattice magnetization. The possible origin of this coupling is discussed.« less

Electric modulation of conduction in multiferroic Ca-doped BiFeO3 films.

PubMed

Yang, C-H; Seidel, J; Kim, S Y; Rossen, P B; Yu, P; Gajek, M; Chu, Y H; Martin, L W; Holcomb, M B; He, Q; Maksymovych, P; Balke, N; Kalinin, S V; Baddorf, A P; Basu, S R; Scullin, M L; Ramesh, R

2009-06-01

Many interesting materials phenomena such as the emergence of high-Tc superconductivity in the cuprates and colossal magnetoresistance in the manganites arise out of a doping-driven competition between energetically similar ground states. Doped multiferroics present a tantalizing evolution of this generic concept of phase competition. Here, we present the observation of an electronic conductor-insulator transition by control of band-filling in the model antiferromagnetic ferroelectric BiFeO3 through Ca doping. Application of electric field enables us to control and manipulate this electronic transition to the extent that a p-n junction can be created, erased and inverted in this material. A 'dome-like' feature in the doping dependence of the ferroelectric transition is observed around a Ca concentration of approximately 1/8, where a new pseudo-tetragonal phase appears and the electric modulation of conduction is optimized. Possible mechanisms for the observed effects are discussed on the basis of the interplay of ionic and electronic conduction. This observation opens the door to merging magnetoelectrics and magnetoelectronics at room temperature by combining electronic conduction with electric and magnetic degrees of freedom already present in the multiferroic BiFeO3.

Electric modulation of conduction in multiferroic Ca-doped BiFeO3 films

NASA Astrophysics Data System (ADS)

Yang, C.-H.; Seidel, J.; Kim, S. Y.; Rossen, P. B.; Yu, P.; Gajek, M.; Chu, Y. H.; Martin, L. W.; Holcomb, M. B.; He, Q.; Maksymovych, P.; Balke, N.; Kalinin, S. V.; Baddorf, A. P.; Basu, S. R.; Scullin, M. L.; Ramesh, R.

2009-06-01

Many interesting materials phenomena such as the emergence of high-Tc superconductivity in the cuprates and colossal magnetoresistance in the manganites arise out of a doping-driven competition between energetically similar ground states. Doped multiferroics present a tantalizing evolution of this generic concept of phase competition. Here, we present the observation of an electronic conductor-insulator transition by control of band-filling in the model antiferromagnetic ferroelectric BiFeO3 through Ca doping. Application of electric field enables us to control and manipulate this electronic transition to the extent that a p-n junction can be created, erased and inverted in this material. A `dome-like' feature in the doping dependence of the ferroelectric transition is observed around a Ca concentration of ~1/8, where a new pseudo-tetragonal phase appears and the electric modulation of conduction is optimized. Possible mechanisms for the observed effects are discussed on the basis of the interplay of ionic and electronic conduction. This observation opens the door to merging magnetoelectrics and magnetoelectronics at room temperature by combining electronic conduction with electric and magnetic degrees of freedom already present in the multiferroic BiFeO3.

Enhanced superconductivity in surface-electron-doped iron pnictide Ba(Fe 1.94Co 0.06) 2As 2

DOE PAGES

Kyung, W. S.; Huh, S. S.; Koh, Y. Y.; ...

2016-08-15

The transition critical temperature (TC ) in a FeSe monolayer on SrTiO 3 is enhanced up to 100 K. High TC is also found in bulk iron chalcogenides with similar electronic structure to that of monolayer FeSe, which suggests that higher TC may be achieved through electron doping, pushing the Fermi surface (FS) topology towards leaving only electron pockets. Such observation, however, has been limited to chalcogenides and is in contrast with the iron pnictides for which the maximum TC is achieved with both hole and electron pockets forming considerable FS nesting instability. Here, we report angle-resolved photoemission (ARPES) characterizationmore » revealing a monotonic increase of TC from 24 to 41.5 K upon surface doping on optimally doped Ba(Fe 1-xCo x) 2As 2 . The doping changes the overall FS topology towards that of chalcogenides through a rigid downward band shift. Our findings suggest that higher electron doping and concomitant changes in FS topology are favorable conditions for the superconductivity, not only for iron chalcogenides but also for iron pnictides.« less

Room-temperature H2S Gas Sensor Based on Au-doped ZnFe2O4 Yolk-shell Microspheres.

PubMed

Yan, Yin; Nizamidin, Patima; Turdi, Gulmira; Kari, Nuerguli; Yimit, Abliz

2017-01-01

Room-temperature type H 2 S sensing devices that use Au-doped ZnFe 2 O 4 yolk-shell microspheres as the active material have been fabricated using a solvothermal method as well as subsequent annealing and a chemical etching process. The samples are characterized using X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), field-emission scanning electron microscopy (FESEM), and X-ray photoelectron spectroscopy (XPS). The results demonstrate that the doping of Au does not change the spinel structure of the products, which were yolk-shell microspheres, while the particle size varied with the Au doping concentration. Also, the as-fabricated sensor device exhibited excellent selectivity toward H 2 S gas at the room temperature; the gas-sensing property of 2 wt% Au-doped ZnFe 2 O 4 microspheres was the best. The Au-doped ZnFe 2 O 4 yolk-shell microspheres can be promising as a sensing material for H 2 S gas detecting at room temperature.

Synthesis of Co2+-doped Fe2O3 photocatalyst for degradation of pararosaniline dye

NASA Astrophysics Data System (ADS)

Suresh, R.; Giribabu, K.; Manigandan, R.; Mangalaraja, R. V.; Solorza, Jorge Yanez; Stephen, A.; Narayanan, V.

2017-06-01

In this paper, x (=2, 5, 7 and 10mol%) Co2+-doped Fe2O3 (xCo:Fe2O3) nanoparticles with enhanced photocatalytic activity have been reported. xCo:Fe2O3 nanoparticles were successfully prepared by co-precipitation followed thermal decomposition method. The structural, optical and morphological properties of the prepared samples were studied by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), X-ray photoelectron spectroscopy (XPS), diffuse reflectance (DR) UV-visible absorption spectroscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The obtained results revealed that Co2+ ions were well doped within the lattices of Fe2O3. Also, Co2+ ions suppress the formation of the most stable α- Fe2O3 and stabilize less stable γ-Fe2O3 at 450 °C. The photocatalytic activity of xCo:Fe2O3 was examined by using pararosaniline (PR) dye. It was found that photocatalytic degradation of PR depends on dopant concentration (Co2+ ions). Relatively, the highest photocatalytic activity was observed for 5%Co:Fe2O3 nanoparticles. The plausible photocatalytic degradation pathway of PR at xCo:Fe2O3 surface has also been proposed.

Novel three-dimensionally ordered macroporous Fe3+-doped TiO2 photocatalysts for H2 production and degradation applications

NASA Astrophysics Data System (ADS)

Yan, Xiaoqing; Xue, Chao; Yang, Bolun; Yang, Guidong

2017-02-01

Novel three-dimensionally ordered macroporous (3DOM) Fe3+-doped TiO2 photocatalysts were prepared using a colloidal crystal template method with low-cost raw material including ferric trichloride, isopropanol, tetrabutyl titanate and polymethyl methacrylate. The as-prepared 3DOM Fe3+-doped TiO2 photocatalysts were characterized by various analytical techniques. TEM and SEM results showed that the obtained photocatalysts possess well-ordered macroporous structure in three dimensional orientations. As proved by XPS and EDX analysis that Fe3+ ions have been introduced TiO2 lattice and the doped Fe3+ ions can act as the electron acceptor/donor centers to significantly enhance the electron transfer from the bulk to surface of TiO2, resulting in more electrons could take part in the oxygen reduction process thereby decreasing the recombination rate of photogenerated charges. Meanwhile, the 3DOM architecture with the feature of interfacial chemical reaction active sites and optical absorption active sites is remarkably favorable for the reactant transfer and light trapping in the photoreaction process. As a result, the 3DOM Fe3+-doped TiO2 photocatalysts show the considerably higher photocatalytic activity for decomposition of the Rhodamine B (RhB) and the generation of hydrogen under visible light irradiation due to the synergistic effects of open, interconnected macroporous network and metal ion doping.

Weathering of iron sulfides under Mars surface ambient conditions

NASA Technical Reports Server (NTRS)

Blackburn, T. R.

1981-01-01

The study of iron sulfide surface alternation reactions under Mars' surface ambient conditions begun during 1980 was extended through improved irradiation design and experimental protocols. A wider range of humidities and more intense irradiation were incorporated in the study. X-ray photoelectron spectra of irradiated chips suggest formation of FeSO4, FeCO3, and an iron oxide on the iron sulfide substrates studied.

Structural and Magnetic Properties of Transition-Metal-Doped Zn 1-x Fe x O.

PubMed

Abdel-Baset, T A; Fang, Yue-Wen; Anis, B; Duan, Chun-Gang; Abdel-Hafiez, Mahmoud

2016-12-01

The ability to produce high-quality single-phase diluted magnetic semiconductors (DMS) is the driving factor to study DMS for spintronics applications. Fe-doped ZnO was synthesized by using a low-temperature co-precipitation technique producing Zn 1-x Fe x O nanoparticles (x= 0, 0.02, 0.04, 0.06, 0.08, and 0.1). Structural, Raman, density functional calculations, and magnetic studies have been carried out in studying the electronic structure and magnetic properties of Fe-doped ZnO. The results show that Fe atoms are substituted by Zn ions successfully. Due to the small ionic radius of Fe ions compared to that of a Zn ions, the crystal size decreases with an increasing dopant concentration. First-principle calculations indicate that the charge state of iron is Fe (2+) and Fe (3+) with a zinc vacancy or an interstitial oxygen anion, respectively. The calculations predict that the exchange interaction between transition metal ions can switch from the antiferromagnetic coupling into its quasi-degenerate ferromagnetic coupling by external perturbations. This is further supported and explains the observed ferromagnetic bahaviour at magnetic measurements. Magnetic measurements reveal that decreasing particle size increases the ferromagnetism volume fraction. Furthermore, introducing Fe into ZnO induces a strong magnetic moment without any distortion in the geometrical symmetry; it also reveals the ferromagnetic coupling.

Improved Electrochemical Performance of LiFePO4@N-Doped Carbon Nanocomposites Using Polybenzoxazine as Nitrogen and Carbon Sources.

PubMed

Wang, Ping; Zhang, Geng; Li, Zhichen; Sheng, Wangjian; Zhang, Yichi; Gu, Jiangjiang; Zheng, Xinsheng; Cao, Feifei

2016-10-03

Polybenzoxazine is used as a novel carbon and nitrogen source for coating LiFePO 4 to obtain LiFePO 4 @nitrogen-doped carbon (LFP@NC) nanocomposites. The nitrogen-doped graphene-like carbon that is in situ coated on nanometer-sized LiFePO 4 particles can effectively enhance the electrical conductivity and provide fast Li + transport paths. When used as a cathode material for lithium-ion batteries, the LFP@NC nanocomposite (88.4 wt % of LiFePO 4 ) exhibits a favorable rate performance and stable cycling performance.

Effect of Fe-site isovalent and aliovalent doping on the magnetic, electric and optical properties of BiFe0.875Cr0.125O3

NASA Astrophysics Data System (ADS)

Zhou, Yunhua; Zhang, Ren; Fan, Yingfang; Wang, Zhongchao; Mao, Weiwei; Zhang, Jian; Min, Yonggang; Yang, Jiangping; Pu, Yong; Li, Xing'ao

2018-02-01

The magnetic, electric and optical properties of BiFe0.875Cr0.125O3 (BFCO) doped with aliovalent ions (Na+, Mg2+) and isovalent ion (Al3+) are investigated by the first principle spin-polarized density functional theory calculations. It is demonstrated that the substitution of M (M = Na+, Mg2+, Al3+) for Fe can produce net magnetic moments of 3.0, 2.0 and 3.0 μB, respectively. Besides, Na+ doped BFCO exhibits metallicity while Mg2+ doped system behaves as half-metallicity. Systematic study of electronic structures show that this conversion from semiconductor (BFCO) to half-metal or metal is mainly attributed to the shifting of O 2p, Bi 6s, and Cr 3d states induced by doping with aliovalent Na+ or Mg2+. Furthermore, the aliovalent ions doped samples express high static dielectric constants of 12.08, 29.44, large refractive indexs of 5.41, 3.46 and both their absorption edges near zero, suggesting advanced optical response in visible region of the doped samples.

Decrease of dissolved sulfide in sewage by powdered natural magnetite and hematite.

PubMed

Zhang, Lehua; Verstraete, Willy; de Lourdes Mendoza, María; Lu, Zhihao; Liu, Yongdi; Huang, Guangtuan; Cai, Lankun

2016-12-15

Natural magnetite and hematite were explored to decrease sulfide in sewage, compared with iron salts (FeCl 3 and FeSO 4 ). A particle size of magnetite and hematite ranging from 45 to 60μm was used. The results showed that 40mgL -1 of powdered magnetite and hematite addition decreased the sulfide in sewage by 79%and 70%, respectively. The achieved decrease of sulfide production capacities were 197.3, 210.6, 317.6 and 283.3mgSg -1 Fe for magnetite, hematite, FeCl 3 and FeSO 4 at the optimal dosage of 40mgL -1 , respectively. Magnetite and hematite provided a higher decrease of sulfide production since more iron ions are capable of being released from the solid phase, not because of adsorption capacity of per gram iron. Besides, the impact on pH and oxidation-reduction potential (ORP) of hematite addition was negligible; while magnetite addition resulted in slight increase of 0.3-0.5 on pH and 10-40mV on ORP. Powdered magnetite and hematite thus appear to be suitable for sulfide decrease in sewage, for their sparing solubility, sustained-release, long reactive time in sewage as well as cost-effectiveness, compared with iron salts. Further investigation over long time periods under practical conditions are needed to evaluate the possible settlement in sewers and unwanted (toxic) metal elements presenting as impurities. Powdered magnetite and hematite were more cost-effective at only 30% costs of iron salts, such as FeCl 3 and FeSO 4 for decreasing sulfide production in sewage. Copyright © 2016. Published by Elsevier B.V.

N/S/B-doped graphitized carbon encased Fe species as a highly active and durable catalyst towards oxygen reduction reaction.

PubMed

Li, Guang-Lan; Cheng, Guang-Chun; Chen, Wen-Wen; Liu, Cai-Di; Yuan, Li-Fang; Yang, Bei-Bei; Hao, Ce

2018-03-15

Exploring cost-effective, high-performance and durable non-precious metal catalysts is of great significance for the acceleration of sluggish oxygen reduction reaction (ORR). Here, we report an intriguing heteroatom-doped graphitized carbon encased Fe species composite by introducing N, S and B sequentially. The experimental approach was designed ingeniously for that the FeCl 3 ·6H 2 O could catalyze thiourea to synthesize N, S co-doped carbon materials which would further react with H 3 BO 3 and NH 3 (emerged at the heat-treatment process) to prepare N, S and B co-doped carbon materials (Fe-N/S/B-C). The Fe-N/S/B-C exhibits an impressive ORR activity for its half-wave potential of -0.1 V, which is 36 mV or 19 mV higher than that of the corresponding single or dual doped counterparts (Fe-N-C or Fe-N/S-C) and 31 mV positive than that of Pt/C catalyst, respectively. Further chronoamperometric measurement and accelerated aging test confirm the excellent electrochemical durability of Fe-N/S/B-C with the stable core-shell structure. The remarkable ORR performance and facile preparation method enable Fe-N/S/B-C as a potential candidate in electrochemical energy devices. Copyright © 2017 Elsevier Inc. All rights reserved.

Zeolitic imidazolate framework-8-derived N-doped porous carbon coated olive-shaped FeOx nanoparticles for lithium storage

NASA Astrophysics Data System (ADS)

Gan, Qingmeng; Zhao, Kuangmin; He, Zhen; Liu, Suqin; Li, Aikui

2018-04-01

We propose a new strategy to uniformly coat zeolitic imidazolate framework-8 (ZIF-8) on iron oxides containing no Zn to obtain an α-Fe2O3@ZIF-8 composite. After carbonization, the α-Fe2O3@ZIF-8 transforms into iron oxides@N-doped porous carbon (FeOx@NC). The uniform N-doped porous carbon layer gives rise to a superior electrical conductivity, highly-increased specific BET surface area (179.2 m2 g-1), and abundant mesopores for the FeOx@NC composite. When served as the LIB anode, the FeOx@NC shows a high reversible capacity (of 1064 mA h g-1 at 200 mA g-1), excellent rate performance (of 198.1 mA h g-1 at 10000 mA g-1) as well as brilliant long-term cyclability (with a capacity retention of 93.3% after 800 cycles), which are much better than those of the FeOx@C and pristine FeOx anodes. Specifically, the Li-ion intercalation pseudocapacitive behavior of the FeOx@NC anode is improved by this N-doped porous carbon coating, which is beneficial for rapid Li-ion insertion/extraction processes. The excellent electrochemical performance of FeOx@NC should be ascribed to the increased electrolyte penetration areas, improved electrical conductivity, boosted lithium storage kinetics, and shortened Li-ion transport length.

First-Principles Study of Antimony Doping Effects on the Iron-Based Superconductor CaFe(SbxAs1-x)2

NASA Astrophysics Data System (ADS)

Nagai, Yuki; Nakamura, Hiroki; Machida, Masahiko; Kuroki, Kazuhiko

2015-09-01

We study antimony doping effects on the iron-based superconductor CaFe(SbxAs1-x)2 by using the first-principles calculation. The calculations reveal that the substitution of a doped antimony atom into As of the chainlike As layers is more stable than that into FeAs layers. This prediction can be checked by experiments. Our results suggest that doping homologous elements into the chainlike As layers, which only exist in the novel 112 system, is responsible for rising up the critical temperature. We discuss antimony doping effects on the electronic structure. It is found that the calculated band structures with and without the antimony doping are similar to each other within our framework.

Metal-saturated sulfide assemblages in NWA 2737: Evidence for impact-related sulfur devolatilization in Martian meteorites

NASA Astrophysics Data System (ADS)

Lorand, Jean-Pierre; Barrat, Jean-Alix; Chevrier, Vincent; Sautter, Violaine; Pont, Sylvain

2012-11-01