Room temperature ferromagnetism and half metallicity in nickel doped ZnS: Experimental and DFT studies

Energy Technology Data Exchange (ETDEWEB)

Akhtar, Muhammad Saeed [School of Materials, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); Centre of Excellence in Solid State Physics, University of the Punjab, Lahore 54590 (Pakistan); Malik, Mohammad Azad, E-mail: Azad.malik@manchester.ac.uk [School of Materials, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); Riaz, Saira; Naseem, Shahzad [Centre of Excellence in Solid State Physics, University of the Punjab, Lahore 54590 (Pakistan)

2015-06-15

The nickel doped nanocrystalline ZnS thin films were deposited onto glass substrates by chemical bath deposition (CBD). Also ZnS:Ni nanoparticles were synthesized by CBD/co-precipitation method. Powder X-ray diffraction (p-XRD) studies demonstrate that both thin films and nanoparticles correspond to sphalerite (cubic) phase of ZnS with slight shift towards higher 2θ values due to incorporation of nickel in the ZnS lattice. The crystallite sizes estimated by Scherrer equation were 4 and 2.6 nm for ZnNiS thin films and nanoparticles, respectively. Scanning Electron Microscopy (SEM) images reveal that the morphology of thin films is based on quasi-spherical particles with nano scale dimensions. Energy Dispersive X-ray (EDX) spectroscopy confirms that the as-deposited thin films have a stoichiometry consistent with the nickel doped ZnS. Full-potential linearized augmented plane wave (FP-L/APW) method based on spin-polarized density functional theory (DFT) was employed to investigate the electronic and magnetic properties of ZnNiS for the doping concentration. Exchange-correlation functional was studied using generalized gradient approximation (GGA + U) method. Electronic band structures and density of states (DOS) demonstrate 100% spin polarization (half metallicity) with ferromagnetic exchange interactions. Superconducting quantum interference device (SQUID) analysis confirms the theoretical observation of ferromagnetism in nickel doped ZnS. These ZnS based half metallic ferromagnets seem to have virtuous applications in future spintronic devices. - Highlights: • ZnS.Ni thin films and nanoparticles were deposited onto glass substrates by CBD. • p-XRD correspond to sphalerite (cubic) phase of ZnS with slight shift in peaks. • DFT was employed to investigate the properties of ZnS.Ni. • DOS demonstrate 100% spin polarization with ferromagnetic exchange interactions. • SQUID analysis confirms the theoretical observations of nickel doped ZnS.

Effect of structure, size and copper doping on the luminescence properties of ZnS

Energy Technology Data Exchange (ETDEWEB)

Kamal, Ch. Satya [Crystal Growth and Nanoscience Research Centre, Government College (A), Rajahmundry, Andhra Pradesh 533 105 (India); Mishra, R.K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Patel, Dinesh K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Casali Center for Applied Chemistry, The Hebrew University of Jerusalem, 9190401 (Israel); Rao, K. Ramachandra, E-mail: drkrcr@gmail.com [Crystal Growth and Nanoscience Research Centre, Government College (A), Rajahmundry, Andhra Pradesh 533 105 (India); Sudarsan, V., E-mail: vsudar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Vatsa, R.K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

2016-09-15

Highlights: • Blue and green emission intensity form ZnS is sensitive to crystallographic form. • For ZnS nanoparticles, emission characteristics are not affected by copper doping. • Cu solubility poor in ZnS nanoparticles compared to corresponding bulk. - Abstract: Luminescence properties of wurtzite and cubic forms of bulk ZnS have been investigated in detail and compared with that of ZnS nanoparticles. Blue emission observed in both hexagonal and cubic forms of undoped bulk ZnS is explained based on electron–hole recombination involving electron in conduction band and hole trapped in Zn{sup 2+} vacancies where as green emission arises due to electron hole recombination from Zn{sup 2+} and S{sup 2−} vacancies. Conversion of wurtzite form to cubic form is associated with relative increase in intensity of green emission due to increased defect concentration brought about by high temperature heat treatment. Copper doping in ZnS, initially leads to formation of both Cu{sub Zn} and Cu{sub i} (interstitial copper) centers, and latter to mainly Cu{sub Zn} centers as revealed by variation in relative intensities of blue and green emission from the samples.

Synthesis, structural and optical properties of PVP coated transition metal doped ZnS nanoparticles

Science.gov (United States)

Desai, N. V.; Shaikh, I. A.; Rawal, K. G.; Shah, D. V.

2018-05-01

The room temperature photoluminescence (PL) of transition metal doped ZnS nanoparticles is investigated in the present study. The PVP coated ZnS nanoparticles doped with transition metals are synthesized by facile wet chemical co-precipitation method with the concentration of impurity 1%. The UV-Vis absorbance spectra have a peak at 324nm which shifts slightly to 321nm upon introduction of the impurity. The incorporation of the transition metal as dopant is confirmed by X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS). The particle size and the morphology are characterized by scanning electron microscopy (SEM), XRD and UV-Vis spectroscopy. The average size of synthesized nanoparticles is about 2.6nm. The room temperature photoluminescence (PL) of undoped and doped ZnS nanoparticles show a strong and sharp peak at 782nm and 781.6nm respectively. The intensity of the PL changes with the type of doping having maximum for manganese (Mn).

Simple and greener synthesis of highly photoluminescence Mn{sup 2+}-doped ZnS quantum dots and its surface passivation mechanism

Energy Technology Data Exchange (ETDEWEB)

Wang, Yongbo; Liang, Xuhua; Ma, Xuan; Hu, Yahong [School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi’an, Shannxi, 710069 (China); Hu, Xiaoyun; Li, Xinghua [Department of Physics, Northwest University, No. 229 Taibai North Road, Xi’an, Shannxi, 710069 (China); Fan, Jun, E-mail: fanjun@nwu.edu.cn [School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi’an, Shannxi, 710069 (China)

2014-10-15

Graphical abstract: TEM and HRTEM (inset) images of the as-prepared Mn{sup 2+}-doped ZnS QDs and the passivation mechanism model of GSH-capped ZnS QDs (b). - Highlights: • Highly photoluminescent Mn{sup 2+}-doped ZnS quantum dots were synthesized by a simple synthetic method. • The effects of Mn{sup 2+} doping concentration, reaction time and temperature on PL intensity were investigated. • The mechanism of surface passivation was described. - Abstract: In this paper, we reported a simple synthetic method of highly photoluminescent (PL) and stable Mn{sup 2+}-doped ZnS quantum dots (QDs) with glutathione (GSH) as the capping molecule and focused on mechanism of the surface passivation of QDs. The Mn{sup 2+}-doped ZnS QDs that was synthesized in basic solution (pH 10) at 120 °C for 5 h exhibited blue trap-state emission around 418 nm and a strong orange-red emission at about 580 nm with an excitation wavelength of 330 nm. The optimum doping concentration is determined to be 1.5 at.%, and the present Mn{sup 2+}-doped ZnS QDs synthesized under the optimal reaction condition exhibited a quantum yield of 48%. High resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) indicated that the Mn{sup 2+}-doped ZnS QDs were 3–5 nm in size with a zinc blend structure. More importantly, the PL intensity and chemical stability can be improved using organic ligand modification strategies, it was found that GSH could passivate surface defects very efficiently by comparing and analyzing the results of the different organic ligands modification. The cadmium-free Mn{sup 2+}-doped ZnS QDs well-passivated with GSH as capping molecule acquired the advantages of strong PL and excellent chemical stability, which are important to QD applications.

Synthesis and characterization of samarium-doped ZnS nanoparticles: A novel visible light responsive photocatalyst

Energy Technology Data Exchange (ETDEWEB)

Hanifehpour, Younes, E-mail: y_hanifehpour@yu.ac.kr [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Soltani, Behzad; Amani-Ghadim, Ali Reza; Hedayati, Behnam [Department of Chemistry, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz (Iran, Islamic Republic of); Khomami, Bamin [Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Joo, Sang Woo, E-mail: swjoo1@gmail.com [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of)

2016-04-15

Highlights: • Sm-doped ZnS Nanomaterials were synthesized by hydrothermal method. • The as-prepared compounds were characterized by XRD, TEM, XPS, SEM and UV techniques. • The photocatalytic effect of compounds was determined by Reactive Red 43 degradation. • The degradation of RRed 43 followed the Langmuir–Hinshelwood kinetic model. - Abstract: We prepared pure and samarium-doped ZnS (Sm{sub x}Zn{sub 1−x}S{sub 1+0.5x}) nanoparticles via hydrothermal process at 160 °C for 24 h. XRD analysis shows that the particles were well crystallized and corresponds to a cubic sphalerite phase. SEM and TEM images indicate that the sizes of the particles were in the range of 20–60 nm. The photocatalytic activity of Sm-doped ZnS nanoparticles was evaluated by monitoring the decolorization of Reactive Red 43 in aqueous solution under visible light irradiation. The color removal efficiency of Sm{sub 0.04}Zn{sub 0.96}S and pure ZnS was 95.1% and 28.7% after 120 min of treatment, respectively. Among the different amounts of dopant agent used, 4% Sm-doped ZnS nanoparticles indicated the highest decolorization. We found that the presence of inorganic ions such as Cl{sup −}, CO{sub 3}{sup 2−} and other radical scavengers such as buthanol and isopropyl alcohol reduced the decolorization efficiency.

Effect of Mo and Ti doping concentration on the structural and optical properties of ZnS nanoparticles

Science.gov (United States)

Naz, Hina; Ali, Rai Nauman; Zhu, Xingqun; Xiang, Bin

2018-06-01

In this paper, we report the effect of single phase Mo and Ti doping concentration on the structural and optical properties of the ZnS nanoparticles. The structural and optical properties of the as-synthesized samples have been examined by x-ray diffraction, transmission electron microscopy (TEM), UV-visible near infrared absorption spectroscopy and x-ray photoelectron spectroscopy. TEM characterizations reveal a variation in the doped ZnS nanoparticle size distribution by utilizing different dopants of Mo and Ti. In absorption spectra, a clear red shift of 14 nm is observed with increasing Mo concentration as compared to pure ZnS nanoparticles, while by increasing Ti doping concentration, blue shift of 14 nm is obtained. Moreover, it demonstrates that the value of energy band gap decreases from 4.03 eV to 3.89 eV in case of Mo doping. However, the value of energy band gap have shown a remarkable increase from 4.11 eV to 4.27 eV with increasing Ti doping concentration. Our results provide a new pathway to understand the effect of Mo and Ti doping concentrations on the structural and optical properties of ZnS nanoparticles as it could be the key to tune the properties for future optoelectronic devices.

Structural and optical properties of Mg doped ZnS quantum dots and biological applications

Science.gov (United States)

Ashokkumar, M.; Boopathyraja, A.

2018-01-01

Zn1-xMgxS (x = 0, 0.2 and 0.4) quantum dots (QDs) were prepared by co-precipitation method. The Mg dopant did not modify the cubic blende structure of ZnS QDs. The Mg related secondary phase was not detected even for 40% of Mg doping. The size mismatch between host Zn ion and dopant Mg ion created distortion around the dopant. The creation of distortion centres produced small changes in the lattice parameters and diffraction peak position. All the QDs showed small sulfur deficiency and the deficiency level were increased by Mg doping. Band gap of the QD was decreased due to the dominated quantum confinement effect over compositional effect at initial doping of Mg. But at higher doping the band gap was increased due to compositional effect, since there was no change in average crystallite size. The prepared QDs had three emission bands in the UV and Visible regions corresponding to near band edge emission and defect related emissions. The electron transport reaction chain which forms free radicals was broken by sulfur vacancy trap sites. Therefore, the ZnS QDs had better antioxidant activity and the antioxidant behaviour was enhanced by Mg doping. The enhanced UV absorption and emission of 20% of Mg doped ZnS QDs let to maximize the zone of inhibition against E. Coli bacterial strain.

Photoluminescence study of ZnS and ZnS:Pb nanoparticles

International Nuclear Information System (INIS)

Virpal,; Hastir, Anita; Kaur, Jasmeet; Singh, Gurpreet; Singh, Ravi Chand

2015-01-01

Photoluminescence (PL) study of pure and 5wt. % lead doped ZnS prepared by co-precipitation method was conducted at room temperature. The prepared nanoparticles were characterized by X-ray Diffraction (XRD), UV-Visible (UV-Vis) spectrophotometer, Photoluminescence (PL) and Raman spectroscopy. XRD patterns confirm cubic structure of ZnS and PbS in doped sample. The band gap energy value increased in case of Pb doped ZnS nanoparticles. The PL spectrum of pure ZnS was de-convoluted into two peaks centered at 399nm and 441nm which were attributed to defect states of ZnS. In doped sample, a shoulder peak at 389nm and a broad peak centered at 505nm were observed. This broad green emission peak originated due to Pb activated ZnS states

Photoluminescence decay kinetics of doped ZnS nanophosphors

International Nuclear Information System (INIS)

Sharma, Rajesh; Bhatti, H S

2007-01-01

Doped nanophosphor samples of ZnS:Mn, ZnS:Mn, Co and ZnS:Mn, Fe were prepared using a chemical precipitation method. Photoluminescence (PL) spectra were obtained and lifetime studies of the nanophosphors were carried out at room temperature. To the best of our knowledge, there are very few reports on the photoluminescence investigations of Co-doped or Fe-doped ZnS:Mn nanoparticles in the literature. Furthermore, there is no report on luminescence lifetime shortening of ZnS:Mn nanoparticles doped with Co or Fe impurity. Experimental results showed that there is considerable change in the photoluminescence spectra of ZnS:Mn nanoparticles doped with X (X = Co, Fe). The PL spectra of the ZnS:Mn, Co nanoparticle sample show three peaks at 410, 432 and 594 nm, while in the case of the ZnS:Mn, Fe nanoparticle sample the peaks are considerably different. The lifetimes are found to be in microsecond time domain for 594 nm emission, while nanosecond order lifetimes are obtained for 432 and 411 nm emission in ZnS:Mn, X nanophosphor samples. These lifetimes suggest a new additional decay channel of the carrier in the host material

Aqueous-phase synthesis and color-tuning of core/shell/shell inorganic nanocrystals consisting of ZnSe, (Cu, Mn)-doped ZnS, and ZnS

Energy Technology Data Exchange (ETDEWEB)

Choi, Jongwan; Yoon, Sujin [Department of Chemistry and Research Institute for Natural Science, Hanyang University, Seoul, 133-791 (Korea, Republic of); Kim, Felix Sunjoo, E-mail: fskim@cau.ac.kr [School of Chemical Engineering and Materials Science, Chung-Ang University, Seoul, 156-756 (Korea, Republic of); Kim, Nakjoong, E-mail: kimnj@hanyang.ac.kr [Department of Chemistry and Research Institute for Natural Science, Hanyang University, Seoul, 133-791 (Korea, Republic of)

2016-06-25

We report synthesis of colloidal nanocrystals based on ZnSe core, (Cu,Mn)-doped ZnS inner-shell, and ZnS outer-shell by using an eco-friendly method and their optical properties. Synthesis of core/shell/shell nanocrystals was performed by using a one-pot/three-step colloidal method with 3-mercaptopropionic acid as a stabilizer in aqueous phase at low temperature. A double-shell structure was employed with inner-shell as a host for doping and outer-shell as a passivation layer for covering surface defects. Copper and manganese were introduced as single- or co-dopants during inner-shell formation, providing an effective means to control the emission color of the nanocrystals. The synthesized nanocrystals showed fluorescent emission ranging from blue to green, to white, and to orange, adjusted by doping components, amounts, and ratios. The photoluminescence quantum yields of the core/doped-shell/shell nanocrystals approached 36%. - Highlights: • ZnSe/ZnS:(Cu,Ms)/ZnS core/(doped)shell/shell nanocrystals were synthesized in an aqueous phase. • Emission color of nanocrystals was controlled from blue to white to orange by adjusting the atomic ratio of Cu and Mn co-dopants. • Photoluminescence quantum yields of the colloidal nanocrystals approached 36%.

Room temperature synthesis of Mn{sup 2+} doped ZnS d-dots and observation of tunable dual emission: Effects of doping concentration, temperature, and ultraviolet light illumination

Energy Technology Data Exchange (ETDEWEB)

Kole, A. K.; Kumbhakar, P. [Nanoscience Laboratory, Department of Physics, National Institute of Technology, Durgapur 713209, West Bengal (India); Tiwary, C. S. [Department of Materials Engineering, Indian Institute of Science (IISc.), Bangalore 560012 (India)

2013-03-21

Mn{sup 2+} doped (0-50.0 molar %) ZnS d-dots have been synthesized in water medium by using an environment friendly low cost chemical technique. Tunable dual emission in UV and yellow-orange regions is achieved by tailoring the Mn{sup 2+} doping concentration in the host ZnS nanocrystal. The optimum doping concentration for achieving efficient photoluminescence (PL) emission is determined to be {approx}1.10 (at. %) corresponding to 40.0 (molar %) of Mn{sup 2+} doping concentration used during synthesis. The mechanism of charge transfer from the host to the dopant leading to the intensity modulated tunable (594-610 nm) yellow-orange PL emission is straightforwardly understood as no capping agent is used. The temperature dependent PL emission measurements are carried out, viz., in 1.10 at. % Mn{sup 2+} doped sample and the experimental results are explained by using a theoretical PL emission model. It is found that the ratio of non-radiative to radiative recombination rates is temperature dependent and this phenomenon has not been reported, so far, in Mn{sup 2+} doped ZnS system. The colour tuning of the emitted light from the samples are evident from the calculated chromaticity coordinates. UV light irradiation for 150 min in 40.0 (molar %) Mn{sup 2+} doped sample shows an enhancement of 33% in PL emission intensity.

Aqueous synthesis of highly luminescent glutathione-capped Mn{sup 2+}-doped ZnS quantum dots

Energy Technology Data Exchange (ETDEWEB)

Kolmykov, Oleksii [Université de Lorraine, Laboratoire Réactions et Génie des Procédés (LRGP), UMR 7274, CNRS, 1 rue Grandville, BP 20451, 54001 Nancy Cedex (France); Coulon, Joël [Université de Lorraine, Laboratoire de Chimie Physique et Microbiologie pour l' Environnement (LCPME), UMR 7564, CNRS, Faculté de Pharmacie, 5 rue Albert Lebrun, 54000 Nancy (France); Lalevée, Jacques [Institut de Science des Matériaux de Mulhouse (IS2M), UMR 7361, CNRS, 15 rue Jean Starcky, 68093 Mulhouse (France); Alem, Halima; Medjahdi, Ghouti [Université de Lorraine, Institut Jean Lamour (IJL), UMR 7198, CNRS, BP 70239, 54506 Vandoeuvre-lès-Nancy Cedex (France); Schneider, Raphaël, E-mail: raphael.schneider@univ-lorraine.fr [Université de Lorraine, Laboratoire Réactions et Génie des Procédés (LRGP), UMR 7274, CNRS, 1 rue Grandville, BP 20451, 54001 Nancy Cedex (France)

2014-11-01

In this paper, an aqueous-based route has been developed to prepare highly luminescent glutathione (GSH)-capped Mn-doped ZnS quantum dots (QDs). The dots obtained have an average diameter of 4.3 nm and exhibit the Mn{sup 2+}-related orange luminescence with very low surface defect density. The highest photoluminescence was observed for a Mn{sup 2+} to Zn{sup 2+} molar ratio of 3%. Consecutive overcoating of the Mn:ZnS@GSH QDs by a ZnS shell was done, and the core/shell structured QDs exhibit a PL quantum yield of 23%. Transmission electron microscopy, X-ray powder diffraction, electron spin resonance, X-ray photoelectron spectroscopy, UV–visible spectroscopy and spectrofluorometry have been used to characterize the crystal structure, the doping status, and the optical properties of the doped-QDs. Our systematic investigation shows that Mn:ZnS/ZnS@GSH QDs are highly promising fluorescent labels in biological applications.

Structural and optical characterization of Mn doped ZnS nanocrystals elaborated by ion implantation in SiO2

International Nuclear Information System (INIS)

Bonafos, C.; Garrido, B.; Lopez, M.; Romano-Rodriguez, A.; Gonzalez-Varona, O.; Perez-Rodriguez, A.; Morante, J.R.; Rodriguez, R.

1999-01-01

Mn doped ZnS nanocrystals have been formed in SiO 2 layers by ion implantation and thermal annealing. The structural analysis of the processed samples has been performed mainly by Secondary Ion Mass Spectroscopy (SIMS) and Transmission Electron Microscopy (TEM). The data show the precipitation of ZnS nanocrystals self-organized into two layers parallel to the free surface. First results of the optical analysis of samples co-implanted with Mn show the presence of a yellow-green photoluminescence depending on the Mn concentration and the size of the nanocrystals, suggesting the doping with Mn of some precipitates

Influence of the dopant concentration on structural, optical and photovoltaic properties of Cu-doped ZnS nanocrystals based bulk heterojunction hybrid solar cells

Science.gov (United States)

Jabeen, Uzma; Adhikari, Tham; Shah, Syed Mujtaba; Pathak, Dinesh; Wagner, Tomas; Nunzi, Jean-Michel

2017-06-01

Zinc sulphide (ZnS) and Cu-doped ZnS nanoparticles were synthesized by the wet chemical method. The nanoparticles were characterized by UV-visible, fluorescence, fourier transform infra-red (FTIR) spectrometry, X-ray diffraction (XRD), X-ray photoelectron spectrometry (XPS), field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM). Scanning electron microscopy supplemented with EDAX was employed to observe the morphology and chemical composition of the un-doped and doped samples. A significant blue shift of the absorption band with respect to the un-doped zinc sulphide was sighted by increasing the Cu concentration in the doped sample with decreasing the size of nanoparticles. Consequently, the band gap was tuned from 3.13 to 3.49 eV due to quantum confinement. The green emission arises from the recombination between the shallow donor level (sulfur vacancy) and the t2 level of Cu2+. However, the fluorescence emission spectrum of the undoped ZnS nanoparticles was deconvoluted into two bands, which are centered at 419 and 468 nm. XRD analysis showed that the nanomaterials were in cubic crystalline state. XRD peaks show that there were no massive crystalline distortions in the crystal lattice when the Cu concentration (0.05-0.1 M) was increased in the ZnS lattice. However, in the case of Cu-doped samples (0.15-0.2 M), the XRD pattern showed an additional peak at 37° due to incomplete substitution occurring during the experimental reaction step. A comparative study of surfaces of undoped and Cu-doped ZnS nanoparticles were investigated using X-ray photoelectron spectroscopy (XPS). The synthesized nanomaterial in combination with poly(3-hexylthiophene) (P3HT) was used in the fabrication of solar cells. The devices with ZnS nanoparticles showed an efficiency of 0.31%. The overall power conversion efficiency of the solar cells at 0.1 M Cu content in doped ZnS nanoparticles was found to be 1.6 times higher than the

EDTA-assisted hydrothermal synthesis, characterization and photoluminescent properties of Mn{sup 2+}-doped ZnS

Energy Technology Data Exchange (ETDEWEB)

Viswanath, R. [Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577 451 (India); Bhojya Naik, H.S., E-mail: hsb_naik@rediffmail.com [Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577 451 (India); Yashavanth Kumar, G.S.; Prashanth Kumar, P.N.; Arun Kumar, G. [Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577 451 (India); Praveen, R. [Department of Technical Education, Automobile Technology Branch HMS Polytechnic (Government Aided), Tumkur-572102 (India)

2014-09-15

In this paper, undoped ZnS and Mn{sup 2+}-doped ZnS nanocrystals were synthesized through a facile EDTA-assisted hydrothermal method. The as-synthesized powder samples were systematically characterized by employing the following characterization technique such as X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high resolution transmission electron microscopy (HRTEM), UV–visible optical absorption and photoluminescence (PL) spectroscopy. X-ray diffraction pattern revealed the presence of material in single phase with average crystallite size of about 3 nm and the material remained cubic over the whole Mn solid solution range. Formation of ultrafine, spherical and homogeneous dispersed nanoparticles with size 4 nm was confirmed by HRTEM analysis. Absorption shoulders of the samples were blue-shifted as compared to bulk ZnS (3.6 eV) with decrease in the energy band gap as the Mn concentration increases. The room temperature photoluminescence (PL) spectra of Mn{sup 2+}-doped ZnS nanocrystalline showed extra peaks in yellow–orange and red region in comparison of pure ZnS. Mn induced PL was suggested with the significant enhancement of the PL intensity in ZnS:Mn nanocrystalline due to Mn incorporation. The red shift in the yellow–orange emission peak can be attributed to the change in band structure due to the formation of ZnS:Mn alloy with increase in Mn{sup 2+} concentration. The yellow–orange emission peak corresponds to the {sup 4}T{sub 1}(excited)–{sup 6}A{sub 1}(ground) transition of Mn{sup 2+} ion in Td symmetry in the ZnS host lattice. The emission peak in the red region may be due to Mn{sup 2+} d–d transitions in (Zn Mn)S matrix as some of the nearest neighbors of Mn{sup 2+} are now predominantly S atoms due to their random positioning nature in the nanocrystallite and Mn–Mn interaction at high Mn{sup 2+} concentration. This type of doped semiconductors with multi-band emission can be made bioactive when they are

Structural and optical characterization of Mn doped ZnS nanocrystals elaborated by ion implantation in SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Bonafos, C. E-mail: bonafos@el.ub.es; Garrido, B.; Lopez, M.; Romano-Rodriguez, A.; Gonzalez-Varona, O.; Perez-Rodriguez, A.; Morante, J.R.; Rodriguez, R

1999-01-01

Mn doped ZnS nanocrystals have been formed in SiO{sub 2} layers by ion implantation and thermal annealing. The structural analysis of the processed samples has been performed mainly by Secondary Ion Mass Spectroscopy (SIMS) and Transmission Electron Microscopy (TEM). The data show the precipitation of ZnS nanocrystals self-organized into two layers parallel to the free surface. First results of the optical analysis of samples co-implanted with Mn show the presence of a yellow-green photoluminescence depending on the Mn concentration and the size of the nanocrystals, suggesting the doping with Mn of some precipitates.

Synthesis and photoluminescence enhancement of PVA capped Mn2+ doped ZnS nanoparticles and observation of tunable dual emission: A new approach

International Nuclear Information System (INIS)

Viswanath, R.; Bhojya Naik, H.S.; Yashavanth Kumar, G.S.; Prashanth Kumar, P.N.; Harish, K.N.; Prabhakara, M.C.; Praveen, R.

2014-01-01

Highlights: • Synthesis of PVA capped Mn 2+ doped ZnS nanoparticles by chemical precipitation method in air atmosphere. • Characterized by the spectral techniques. • Study on their optical properties. • Calculation of particle size by different techniques. • Investigation of the increased luminescence characteristics (UV to IR region) of Mn 2+ doped ZnS ions at room temperature and the origin of the luminescence observed. - Abstract: This paper reports the enhanced photoluminescence (PL) property of polyvinyl alcohol (PVA) capped Mn 2+ doped ZnS nanocrystals prepared by chemical precipitation method. The surface-modified Mn 2+ doped ZnS nanocrystals resulted in the multi-color property. The morphology and crystallite size were characterized by field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) techniques. The crystallite size was estimated to be 5 nm from HRTEM and calculated as 2–4 nm from peak broadening of the X-ray diffraction (XRD) pattern with cubic zincblende structure. Increase in the band gap with decrease in the crystallite size was observed from the UV–visible absorption spectrum, which confirms the quantum confinement effect. The room temperature photoluminescence (PL) emission measurements revealed the presence of blue (427 nm) and near IR reddish–orange (752 nm) emission bands in addition to the typical yellow–orange (585 nm) bands in all the Mn 2+ doped samples, which were attributed due to transition within the 3ds configuration of Mn 2+ ions incorporation in ZnS host under UV excitation at 320 nm. As far as we know, the reddish–orange bands at 752 nm near IR region along with the blue and yellow–orange colored PL are reported for the first time. In this way, the PL color from these ZnS nanocrystals can be tuned from UV to near infrared region (IR). The synthesized ZnS:Mn NPs can be further functionalized for using them as biolabels

Strong visible-light emission of ZnS nanocrystals embedded in sol-gel silica xerogel

International Nuclear Information System (INIS)

Yang Ping; Lue, M.-K.; Song, C.-F.; Zhou, G.-J.; Ai, Z.-P.; Xu Dong; Yuan, D.-R.; Cheng, X.-F.

2003-01-01

ZnS nanoparticles embedded in novel porous phosphor silica xerogel have been synthesized by sol-gel processing. Their fluorescence properties have been evaluated and compared with those of the Na + -doped and un-doped silica xerogels. Stable and strong visible-light emission of the doped samples has been observed. The relative fluorescence intensities of the samples doped with ZnS nanoparticles (S 2- ions have been obtained by the water solution of NaS) are the highest among all of the doped samples. Its relative fluorescence intensity is about 7.5 times of that of the un-doped silica xerogel and about 300 times of that of pure ZnS nanoparticles. The emission wavelength of the ZnS-doped and Na + -doped samples is the same as that of the un-doped silica xerogel and ZnS nanoparticles (λ em =440-450 nm). This high efficiency luminescence of the doped silica xerogels has been assigned to the luminescence centers of ZnS nanoparticles and Na + in the porous phosphorescence silica xerogel

Low-temperature synthesis of hexagonal transition metal ion doped ZnS nanoparticles by a simple colloidal method

International Nuclear Information System (INIS)

Wang, Liping; Huang, Shungang; Sun, Yujie

2013-01-01

A general route to synthesize transition metal ions doped ZnS nanoparticles with hexagonal phase by means of a conventional reverse micelle at a low temperature is developed. The synthesis involves N,N-dimethylformamide, Zn(AC) 2 solution, thiourea, ammonia, mercaptoacetic acid, as oil phase, water phase, sulfide source, pH regulator, and surfactant, respectively. Thiourea, ammonia and mercaptoacetic acid are demonstrated crucial factors, whose effects have been studied in detail. In addition, the FT-IR spectra suggest that mercaptoacetic acid may form complex chelates with Zn 2+ in the preparation. In the case of Cu 2+ as a doped ion, hexagonal ZnS:Cu 2+ nanoparticles were synthesized at 95 °C for the first time. The X-ray diffraction (XRD) and transmission electron microscope (TEM) measurements show that the ZnS:Cu 2+ nanoparticles are polycrystalline and possess uniform particle size. The possible formation mechanism of the hexagonal doped ZnS is discussed.

Phosphorescent inner filter effect-based sensing of xanthine oxidase and its inhibitors with Mn-doped ZnS quantum dots.

Science.gov (United States)

Tang, Dandan; Zhang, Jinyi; Zhou, Rongxin; Xie, Ya-Ni; Hou, Xiandeng; Xu, Kailai; Wu, Peng

2018-05-10

Overexpression and crystallization of uric acid have been recognized as the course of hyperuricemia and gout, which is produced via xanthine oxidase (XOD)-catalyzed oxidation of xanthine. Therefore, the medicinal therapy of hyperuricemia and gout is majorly based on the inhibition of the XOD enzymatic pathway. The spectroscopic nature of xanthine and uric acid, namely both absorption (near the ultraviolet region) and emission (non-fluorescent) characteristics, hinders optical assay development for XOD analysis. Therefore, the state-of-the-art analysis of XOD and the screening of XOD inhibitors are majorly based on chromatography. Here, we found the near ultraviolet absorption of uric acid overlapped well with the absorption of a large bandgap semiconductor quantum dots, ZnS. On the other hand, the intrinsic weak fluorescence of ZnS QDs can be substantially improved via transition metal ion doping. Therefore, herein, we developed an inner filter effect-based assay for XOD analysis and inhibitor screening with Mn-doped ZnS QDs. The phosphorescence of Mn-doped ZnS QDs could be quenched by uric acid generated from xanthine catabolism by XOD, leading to the phosphorescence turn-off detection of XOD with a limit of detection (3σ) of 0.02 U L-1. Furthermore, the existence of XOD inhibitors could inhibit the XOD enzymatic reaction, resulting in weakened phosphorescence quenching. Therefore, the proposed assay could also be explored for the facile screening analysis of XOD inhibitors, which is important for the potential medicinal therapy of hyperuricemia and gout.

Synthesis and photoluminescence enhancement of PVA capped Mn{sup 2+} doped ZnS nanoparticles and observation of tunable dual emission: A new approach

Energy Technology Data Exchange (ETDEWEB)

Viswanath, R. [Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta, Karnataka, 577451 (India); Bhojya Naik, H.S., E-mail: hsb_naik@rediffmail.com [Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta, Karnataka, 577451 (India); Yashavanth Kumar, G.S.; Prashanth Kumar, P.N.; Harish, K.N. [Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta, Karnataka, 577451 (India); Prabhakara, M.C. [Department of P.G. Studies and Research in Industrial Chemistry, Sir. M.V. Government Science College, Bommanakatte, Shimoga, Bhadravathi, Karnataka, 577302 (India); Praveen, R. [Department of Technical Education, Automobile Technology Branch HMS Polytechnic (Government Aided), Tumkur, Karnataka, 572102 (India)

2014-05-01

Highlights: • Synthesis of PVA capped Mn{sup 2+} doped ZnS nanoparticles by chemical precipitation method in air atmosphere. • Characterized by the spectral techniques. • Study on their optical properties. • Calculation of particle size by different techniques. • Investigation of the increased luminescence characteristics (UV to IR region) of Mn{sup 2+} doped ZnS ions at room temperature and the origin of the luminescence observed. - Abstract: This paper reports the enhanced photoluminescence (PL) property of polyvinyl alcohol (PVA) capped Mn{sup 2+} doped ZnS nanocrystals prepared by chemical precipitation method. The surface-modified Mn{sup 2+} doped ZnS nanocrystals resulted in the multi-color property. The morphology and crystallite size were characterized by field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) techniques. The crystallite size was estimated to be 5 nm from HRTEM and calculated as 2–4 nm from peak broadening of the X-ray diffraction (XRD) pattern with cubic zincblende structure. Increase in the band gap with decrease in the crystallite size was observed from the UV–visible absorption spectrum, which confirms the quantum confinement effect. The room temperature photoluminescence (PL) emission measurements revealed the presence of blue (427 nm) and near IR reddish–orange (752 nm) emission bands in addition to the typical yellow–orange (585 nm) bands in all the Mn{sup 2+} doped samples, which were attributed due to transition within the 3ds configuration of Mn{sup 2+} ions incorporation in ZnS host under UV excitation at 320 nm. As far as we know, the reddish–orange bands at 752 nm near IR region along with the blue and yellow–orange colored PL are reported for the first time. In this way, the PL color from these ZnS nanocrystals can be tuned from UV to near infrared region (IR). The synthesized ZnS:Mn NPs can be further functionalized for

Synthesis and characterization of sol–gel derived ZnS : Mn ...

Indian Academy of Sciences (India)

Unknown

The films were then (in less than ~ 10 s) transferred to an oven preset at the ... (5 at.%) nanocrystalline ZnS film. Figure 3. d{ln(αhν)}/d(hν) vs hν plots for (a) undoped and. (b) Mn2+ doped nanocrystalline ZnS film (α in cm–1, hν in eV). Figure 1. .... 2⋅8 nm and 2⋅12 nm in case of undoped and doped ZnS nanocrystalline ...

Structural and optical properties of nanocrystalline ZnS and ZnS:Al films

Science.gov (United States)

Hurma, T.

2018-06-01

ZnS and ZnS:Al films have been deposited by ultrasonic spray pyrolysis (USP) method. Three different atomic ratios of aluminium were used as the dopant element. The effects of aluminum incorporation on structural and optical properties of the ZnS films have been investigated. The XRD analysis showed that the cubic structure of the ZnS was not much affected by Al doping. The crystal size of the films decreased, as the Al ratio increased. Al incorporation caused an increase in the intensity of ZnS films' peaks observed in Raman spectra and nearly symmetrical peaks were observed. Al doping caused a small decrease in optical band gap of the ZnS film. The coating of ZnS:Al films on the surface was quite good and there were not any deformation in their crystallization levels. Reflectance values of films are about 5% in the visible region but a little decrease is seen with aluminum doping. We can say that Al doping tends to improve the optical properties of the ZnS:Al films when compared with the undoped ZnS.

Formation mechanism and yield of molecules ejected from ZnS, CdS, and FeS2 during ion bombardment

International Nuclear Information System (INIS)

Nikzad, S.; Calaway, W.F.; Pellin, M.J.; Young, C.E.; Gruen, D.M.; Tombrello, T.A.

1994-01-01

Neutral species ejected from single crystals of ZnS, CdS, and FeS 2 during ion bombardment by 3 keV Ar + were detected by laser post-ionization followed by time-of-flight mass spectrometry. While metal atoms (Fe, Zn, Cd) and S 2 were the dominant species observed, substantial amounts of S, FeS, Zn 2 , ZnS, Cd 2 , and CdS were also detected. The experimental results demonstrate that molecules represent a larger fraction of the sputtered yield than was previously believed from secondary ion mass spectrometry experiments. In addition, the data suggest that the molecules are not necessarily formed from adjacent atoms in the solid and that a modified form of the recombination model could provide a mechanism for their formation

DFT plus U studies of Cu doping and p-type compensation in crystalline and amorphous ZnS

NARCIS (Netherlands)

Pham, Hieu H.; Barkema, Gerard T.|info:eu-repo/dai/nl/101275080; Wang, Lin-Wang

2015-01-01

Zinc sulfide is an excellent candidate for the development of a p-type transparent conducting material that has great demands in solar energy and optoelectronic applications. Doping with Cu is one potential way to make ZnS p-type while preserving its optical transparency for the solar spectrum;

Extinction of photoemission of Mn-Doped ZnS nanofluid in weak magnetic field

Science.gov (United States)

Vu, Anh-Tuan; Bui, Hong-Van; Pham, Van-Ben; Le, Van-Hong; Hoang, Nam-Nhat

2016-08-01

The observation of extinction of photoluminescence of Mn-doped ZnS nanofluid under applying of weak magnetic field is reported. At a constant field of 270 Gauss and above, the exponential decays of photoluminescent intensity was observed in disregard of field direction. About 50% extinction was achieved after 30 minute magnetization and a total extinction after 1 hour. The memory effect preserved for more than 2 hours at room temperature. This extinction was observed in a system with no clear ferromagnetic behavior.

Optical and electrical properties of copper-incorporated ZnS films applicable as solar cell absorbers

Science.gov (United States)

Mehrabian, M.; Esteki, Z.; Shokrvash, H.; Kavei, G.

2016-10-01

Un-doped and Cu-doped ZnS (ZnS:Cu) thin films were synthesized by Successive Ion Layer Absorption and Reaction (SILAR) method. The UV-visible absorption studies have been used to calculate the band gap values of the fabricated ZnS:Cu thin films. It was observed that by increasing the concentration of Cu2+ ions, the Fermi level moves toward the edge of the valence band of ZnS. Photoluminescence spectra of un-doped and Cu-doped ZnS thin films was recorded under 355 nm. The emission spectrum of samples has a blue emission band at 436 nm. The peak positions of the luminescence showed a red shift as the Cu2+ ion concentration was increased, which indicates that the acceptor level (of Cu2+) is getting close to the valence band of ZnS.

Tuning photoluminescence of ZnS nanoparticles by silver

Indian Academy of Sciences (India)

Wintec

Ag@ZnS core-shell nanoparticles. ... doped ZnS NPs and thus changes the emission charac- teristics. We also ... Nanoparticles; photoluminescence; silver; zinc sulfide; doping. 1. ..... Sooklal K, Brain S, Angel M and Murphy C J 1996 J. Phys.

Room-temperature phosphorescence chemosensor and Rayleigh scattering chemodosimeter dual-recognition probe for 2,4,6-trinitrotoluene based on manganese-doped ZnS quantum dots.

Science.gov (United States)

Zou, Wen-Sheng; Sheng, Dong; Ge, Xin; Qiao, Jun-Qin; Lian, Hong-Zhen

2011-01-01

Rayleigh scattering (RS) as an interference factor to detection sensitivity in ordinary fluorescence spectrometry is always avoided in spite of considerable efforts toward the development of RS-based resonance Rayleigh scattering (RRS) and hyper-Rayleigh scattering (HRS) techniques. Here, combining advantages of quantum dots (QDs) including chemical modification of functional groups and the installation of recognition receptors at their surfaces with those of phosphorescence such as the avoidance of autofluorescence and scattering light, l-cys-capped Mn-doped ZnS QDs have been synthesized and used for room-temperature phosphorescence (RTP) to sense and for RS chemodosimetry to image ultratrace 2,4,6-trinitrotoluene (TNT) in water. The l-cys-capped Mn-doped ZnS QDs interdots aggregate with TNT species induced by the formation of Meisenheimer complexes (MHCs) through acid-base pairing interaction between l-cys and TNT, hydrogen bonding, and electrostatic interaction between l-cys intermolecules. Although the resultant MHCs may quench the fluorescence at 430 nm, interdots aggregation can greatly influence the light scattering property of the aqueous QDs system, and therefore, dominant RS enhancement at defect-related emission wavelength was observed under the excitation of violet light of Mn-doped ZnS QDs, which was applied in chemodosimetry to image TNT in water. Meanwhile, Mn-doped ZnS QDs also exhibited a highly selective response to the quenching of the (4)T(1)-(6)A(1) transition emission (RTP) and showed a very good linearity in the range of 0.0025-0.45 μM TNT with detection limit down to 0.8 nM and RSD of 2.3% (n = 5). The proposed methods are well-suited for detecting the ultratrace TNT and distinguishing different nitro compounds.

Effects of Fe fine powders doping on hot deformed NdFeB magnets

International Nuclear Information System (INIS)

Lin, Min; Wang, Huijie; Zheng, Jingwu; Yan, Aru

2015-01-01

The composite NdFeB magnets with blending melt-spun flakes and Fe fine powders were prepared by the hot-pressed and hot-deformed route. Characterizations of the hot-deformed NdFeB magnets affected by the doped Fe powders were tested. The doped Fe powders decrease the hot-deformed pressure when the strain is between 15 and 50%. XRD patterns show that the doped Fe powders have little influence on the c-axis alignment of hot-deformed NdFeB magnets in the press direction. The B r and the (BH) max get improved when the doped Fe powders are less than 3 wt%. The doped Fe of hot-deformed NdFeB magnets exists in the elongated state and the spherical state surrounded by the Nd-rich phase. With the Fe fraction increasing, the potential of magnet moves to the positive direction and the diameter of the Nyquist arc becomes larger, which indicate that the corrosion resistance improved effectively. The bending strength was enhanced by the elongated α-Fe phase embedded in the matrix 2:14:1 phase. - Highlights: • The doped Fe powders have little influence on the c-axis alignment of magnets. • The elongated Fe powders are more than the spherical Fe powders in the magnets. • The corrosion resistance is improved effectively with the increasing Fe fraction. • The bending strength is enhanced by the elongated α-Fe phase embedded in the matrix

Effects of Fe fine powders doping on hot deformed NdFeB magnets

Energy Technology Data Exchange (ETDEWEB)

Lin, Min, E-mail: linm@nimte.ac.cn [Ningbo Institute of Material Technology & Engineering Chinese Academy of Science, Ningbo 315201 (China); Wang, Huijie [Ningbo Jinji Strong Magnetic Material Company, Ningbo 315041 (China); Zheng, Jingwu [Zhejiang University of Technology, Hangzhou 310014 (China); Yan, Aru [Ningbo Institute of Material Technology & Engineering Chinese Academy of Science, Ningbo 315201 (China)

2015-04-01

The composite NdFeB magnets with blending melt-spun flakes and Fe fine powders were prepared by the hot-pressed and hot-deformed route. Characterizations of the hot-deformed NdFeB magnets affected by the doped Fe powders were tested. The doped Fe powders decrease the hot-deformed pressure when the strain is between 15 and 50%. XRD patterns show that the doped Fe powders have little influence on the c-axis alignment of hot-deformed NdFeB magnets in the press direction. The B{sub r} and the (BH){sub max} get improved when the doped Fe powders are less than 3 wt%. The doped Fe of hot-deformed NdFeB magnets exists in the elongated state and the spherical state surrounded by the Nd-rich phase. With the Fe fraction increasing, the potential of magnet moves to the positive direction and the diameter of the Nyquist arc becomes larger, which indicate that the corrosion resistance improved effectively. The bending strength was enhanced by the elongated α-Fe phase embedded in the matrix 2:14:1 phase. - Highlights: • The doped Fe powders have little influence on the c-axis alignment of magnets. • The elongated Fe powders are more than the spherical Fe powders in the magnets. • The corrosion resistance is improved effectively with the increasing Fe fraction. • The bending strength is enhanced by the elongated α-Fe phase embedded in the matrix.

Magnetic properties of Fe-doped organic-inorganic nanohybrids

Science.gov (United States)

Silva, N. J. O.; Amaral, V. S.; Carlos, L. D.; de Zea Bermudez, V.

2003-05-01

We present a magnetic study of Fe-doped diureasils (siloxane-based networks to which poly(ethylene oxide)-based chains are grafted by urea cross linkages doped with Fe(II) or Fe(III) ions. Structural studies show that the Fe(II) ions interact mainly with the organic chain, whereas the incorporation of Fe(III) leads to the formation of iron-based nanoclusters, with radius increasing from 20 to 40 Å. Fe(II)-doped samples behave as simple paramagnets, with μeff=5.32μB. Fe(III)-doped hybrids present antiferromagnetic interactions, with TN increasing with Fe(III) concentration up to 13.6 K for 6% doping. Thermal irreversibility was observed below ˜40 K and is stronger for higher concentrations. The coercive fields (HC) are of the order of 1000 Oe at 5 K. Hysteresis cycles are shifted to negative fields, revealing the presence of exchange anisotropy interactions with exchange fields (HE) of the order of 100 Oe. Both fields decrease rapidly with increasing temperature. We analyze this behavior in terms of the contribution of surface spin disorder to exchange anisotropy.

Electronic Properties of LiFePO4 and Li doped LiFePO4

International Nuclear Information System (INIS)

Zhuang, G.V.; Allen, J.L.; Ross, P.N.; Guo, J.-H.; Jow, T.R.

2005-01-01

The potential use of different iron phosphates as cathode materials in lithium-ion batteries has recently been investigated.1 One of the promising candidates is LiFePO4. This compound has several advantages in comparison to the state-of-the-art cathode material in commercial rechargeable lithium batteries. Firstly, it has a high theoretical capacity (170 mAh/g). Secondly, it occurs as mineral triphylite in nature and is inexpensive, thermally stable, non-toxic and non-hygroscopic. However, its low electronic conductivity (∼10-9 S/cm) results in low power capability. There has been intense worldwide research activity to find methods to increase the electronic conductivity of LiFePO4, including supervalent ion doping,2 introducing non-carbonaceous network conduction3 and carbon coating, and the optimization of the carbon coating on LiFePO4 particle surfaces.4 Recently, the Li doped LiFePO4 (Li1+xFe1-xPO4) synthesized at ARL has yield electronic conductivity increase up to 106.5 We studied electronic structure of LiFePO4 and Li doped LiFePO4 by synchrotron based soft X-ray emission (XES) and X-ray absorption (XAS) spectroscopies. XAS probes the unoccupied partial density of states, while XES the occupied partial density of states. By combining XAS and XES measurements, we obtained information on band gap and orbital character of both LiFePO4 and Li doped LiFePO4. The occupied and unoccupied oxygen partial density of states (DOS) of LiFePO4 and 5 percent Li doped LiFePO4 are presented in Fig. 1. Our experimental results clearly indicate that LiFePO4 has wideband gap (∼ 4 eV). This value is much larger than what is predicted by DFT calculation. For 5 percent Li doped LiFePO4, a new doping state was created closer to the Fermi level, imparting p-type conductivity, consistent with thermopower measurement. Such observation substantiates the suggestion that high electronic conductivity in Li1.05Fe0.95 PO4 is due to available number of charge carriers in the material

FOR CU-DOPED ZnS 'ALLOY

African Journals Online (AJOL)

2005-01-20

Jan 20, 2005 ... electron transport property of thin films. may be characterized by the conductivity of the ... 3H20 were prepared and added drop by drop' to. 100ml of ZnS .... higher temperatures there is sufficient thermal activation fo~. I some electrons to .... telluride film on crystalline silicon, J. Appl. Phys. 54 (3): 1383-1389.

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

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

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

2014-01-01

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. (paper)

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

Science.gov (United States)

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.

Synthesis and Characteristics of ZnS Nanospheres for Heterojunction Photovoltaic Device

Science.gov (United States)

Chou, Sheng-Hung; Hsiao, Yu-Jen; Fang, Te-Hua; Chou, Po-Hsun

2015-06-01

The synthesis of ZnS nanospheres produced using the microwave hydrothermal method was studied. The microstructure and surface and optical properties of ZnS nanospheres on glass were characterized using scanning electron microscopy, high-resolution transmission electron microscopy, x-ray diffraction, and ultraviolet-visible spectroscopy. The influence of deposition time on the transmission and photovoltaic performance was determined. The power conversion efficiency of an Al-doped ZnO/ZnS nanosphere/textured p-Si device improved from 0.93 to 1.77% when the thickness of the ZnS nanostructured film was changed from 75 to 150 nm.

Effect of Si/Fe ratio on the boron and phosphorus doping efficiency of β-FeSi2 by magnetron sputtering

International Nuclear Information System (INIS)

Xu Jiaxiong; Yao Ruohe

2011-01-01

Boron-doped or phosphorus-doped β-FeSi 2 thin films have been prepared on silicon substrate by magnetron sputtering. Effects of Si/Fe ratio on the boron and phosphorus doping efficiencies have been studied from the resistivities of doped β-FeSi 2 thin films and current-voltage characteristics of doped β-FeSi 2 /Si heterojunctions. The experimental results reveal that the carrier concentration and doping efficiency of boron or phosphorus dopants at the Fe-rich side are higher than that at the Si-rich side. The effect of Si/Fe ratio can be deduced from the comparison of the formation energies under two extreme conditions. At the Fe-rich limit condition, the formation energy of boron or phosphorous doping is lower than that at the Si-rich condition. Therefore, the activation of impurities is more effective at the Fe-rich side. These results demonstrate that the boron-doped and phosphorous-doped β-FeSi 2 thin films should be kept at the Fe-rich side to avoid the unexpected doping sites and low doping efficiency.

Local structure of vanadium in doped LiFePO4

International Nuclear Information System (INIS)

Zhao, Ting; Xu, Wei; Ye, Qing; Cheng, Jie; Zhao, Haifeng; Chu, Wangsheng; Wu, Ziyu; Univ. of Science and Technology of China, Hefei; Xia, Dingguo

2010-01-01

LiFePO 4 composites with 5 at.% vanadium doping are prepared by solid state reactions. X-ray absorption fine-structure spectroscopy is used as a novel technique to identify vanadium sites. Both experimental analyses and theoretical simulations show that vanadium does not enter into the LiFePO 4 crystal lattice. When the vanadium concentration is lower then 1 at.%, the dopant remains insoluble. Thus, a single-phase vanadium-doped LiFePO4 cannot be formed and the improved electrochemical properties of vanadium doped LiFePO 4 previously reported cannot be associated with crystal structure changes of the LiFePO 4 via vanadium doping. (orig.)

Room temperature ferromagnetism in Fe-doped CuO nanoparticles.

Science.gov (United States)

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.

Science.gov (United States)

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.

Ferromagnetic Behaviors in Fe-Doped NiO Nanofibers Synthesized by Electrospinning Method

Directory of Open Access Journals (Sweden)

Yi-Dong Luo

2013-01-01

Full Text Available Ni1−xFexO nanofibers with different Fe doping concentration have been synthesized by electrospinning method. An analysis of the phase composition and microstructure shows that Fe doping has no influence on the crystal structure and morphology of NiO nanofibers, which reveals that the doped Fe ions have been incorporated into the NiO host lattice. Pure NiO without Fe doping is antiferromagnetic, yet all the Fe-doped NiO nanofiber samples show obvious room-temperature ferromagnetic properties. The saturation magnetization of the nanofibers can be enhanced with increasing Fe doping concentration, which can be ascribed to the double exchange mechanism through the doped Fe ions and free charge carriers. In addition, it was found that the diameter of nanofibers has significant impact on the ferromagnetic properties, which was discussed in detail.

Superconductivity and magnetism in Ir-doped GdFeAsO

International Nuclear Information System (INIS)

Cui, Y.J.; Chen, Y.L.; Cheng, C.H.; Yang, Y.; Jiang, J.; Wang, Y.Z.; Zhang, Y.; Zhao, Y.

2010-01-01

The 5d-transition metal, Ir has successfully been doped at Fe site and induced superconductivity in GdFeAsO at T c = 18.9 K and ∼20 atom%. The Ir-doping shortened the c-axis length and stretched the a-axis one, which led to enhance the coupling between the FeAs- and SmO-layer, and to weaken the bonding between Fe and As atom. Paramagnetism was observed in all of the samples, which was resulted from the magnetic Gd ion as in the F-doped GdFeAsO. An upper critical field of GdFe 0.8 Ir 0.2 AsO was extrapolated to around 24 T, much smaller than that of F-doped GdFeAsO owing to a relatively low T c and small value of dH c2 /dT.

High pressure luminescence studies of localized excitations in ZnS doped with Pb2+ and Mn2+

International Nuclear Information System (INIS)

House, G.L.; Drickamer, H.G.

1977-01-01

High pressure luminescence measurements have been made on ZnS doped with Pb +2 and Mn +2 . The data include changes in peak energy and shape, integrated intensities, and lifetimes. These localized emissions are treated in terms of a single configuration coordinate model. For Pb +2 the emission peak shifted to lower energy by a moderate amount and narrowed. For excitation in the Pb +2 absorption the intensity was independent of pressure, which is consistent with the fact that the energy barrier for radiationless return to the ground state was high at all pressures. For excitation in the ZnS absorption edge the intensity decreased significantly with pressure above about 80 kbar. Data on shifts of the conduction band with pressure would indicate that one is approaching a transition from a direct to indirect transition at high pressure so that decrease in emission intensity may be associated with decreased absorption efficiency. The Mn+ 2 emission peak shifted strongly to lower energy with increasing pressure. The direction and magnitude of the shift were consistent with the predictions of ligand field theory. The intensity doubled in 100 kbar, while the lifetime decreased by roughly a factor of 2. These results could be described in terms of a model for a phonon assisted transition. In addition, peak location, intensity, and lifetime measurements were made on ZnS:Pb:Mn. There is clear evidence of energy transfer by exchange, but in addition there is a nonradiative process in the doubly doped crystal which affects both intensities and lifetimes

Superconductivity and magnetism in Ir-doped GdFeAsO

Energy Technology Data Exchange (ETDEWEB)

Cui, Y.J.; Chen, Y.L. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, C.H. [School of Materials Science and Engineering, University of New South Wales, Sydney 2052 NSW (Australia); Yang, Y.; Jiang, J.; Wang, Y.Z.; Zhang, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhao, Y., E-mail: yzhao@swjtu.edu.c [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052 NSW (Australia)

2010-11-01

The 5d-transition metal, Ir has successfully been doped at Fe site and induced superconductivity in GdFeAsO at T{sub c} = 18.9 K and {approx}20 atom%. The Ir-doping shortened the c-axis length and stretched the a-axis one, which led to enhance the coupling between the FeAs- and SmO-layer, and to weaken the bonding between Fe and As atom. Paramagnetism was observed in all of the samples, which was resulted from the magnetic Gd ion as in the F-doped GdFeAsO. An upper critical field of GdFe{sub 0.8}Ir{sub 0.2}AsO was extrapolated to around 24 T, much smaller than that of F-doped GdFeAsO owing to a relatively low T{sub c} and small value of dH{sub c2}/dT.

Photoluminescence quenching and enhanced spin relaxation in Fe doped ZnO nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Ovhal, Manoj M.; Santhosh Kumar, A. [Department of Materials Engineering, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India); Khullar, Prerna [School of Materials Science and Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Kumar, Manjeet [Department of Materials Engineering, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India); Abhyankar, A.C., E-mail: ashutoshabhyankar@gmail.com [Department of Materials Engineering, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India)

2017-07-01

Cost-effective ultrasonically assisted precipitation method is utilized to synthesize Zinc oxide (ZnO) nanoparticles (NPs) at room temperature and the effect of Iron (Fe) doping on structural, optical and spin relaxation properties also presented. As-synthesized pure and Fe doped ZnO NPs possess a perfect hexagonal growth habit of wurtzite zinc oxide, along the (101) direction of preference. With Fe doping, ‘c/a’ ratio and compressive lattice strain in ZnO NPs are found to reduce and increase, respectively. Raman studies demonstrate that the E{sub 1} longitudinal optical (LO) vibrational mode is very weak in pure which remarkably enhanced with Fe doping into ZnO NPs. The direct band gap energy (E{sub g}) of the ZnO NPs has been increased from 3.02 eV to 3.11 eV with Fe doping. A slight red-shift observed with strong green emission band, in photoluminescence spectra, is strongly quenched in 6 wt.% Fe doped ZnO NPs. The field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) reveals spherical shape of ZnO NPs with 60–70 nm, which reduces substantially on Fe doping. The energy dispersive X-ray spectrum and elemental mapping confirms the homogeneous distribution of Fe in ZnO NPs. Moreover, the specific relaxation rate (R{sub 2sp} = 1/T{sub 2}) has been measured using Carr-Purcell-Meiboom-Gill (CPMG) method and found to be maximum in 6 wt.% Fe doped ZnO NPs. Further, the correlation of structural, optical and dynamic properties is proposed. - Highlights: • Pure ZnO and Fe doped ZnO NPs were successfully prepared by cost effective ultrasonically assisted precipitation method. • The optical band gap of ZnO has been enhanced form 3.02–3.11 eV with Fe doping. • PL quenching behaviour has been observed with Fe{sup 3+} ions substitution in ZnO lattice. • Specific relaxation rate (R{sub 2sp} = 1/T{sub 2}) has been varied with Fe doping and found to be maximum in 6 wt.% Fe doped ZnO NPs.

Superparamagnetic behavior of Fe-doped SnO2 nanoparticles

International Nuclear Information System (INIS)

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

2014-01-01

SnO 2 is an n-type semiconductor with a wide band gap of 3.62 eV, and SnO 2 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%) SnO 2 nanoparticles, prepared using our novel chemical preparation method and encapsulated in amorphous SiO 2 , 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 SnO 2 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 SnO 2 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

Superparamagnetic behavior of Fe-doped SnO2 nanoparticles

Science.gov (United States)

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.

Moessbauer effect in pure and impurity doped FeSi2

International Nuclear Information System (INIS)

Blaauw, C.; Hanson, H.; Woude, F. van der

1975-01-01

Numerical values of the calculated and experimentally determined Moessbauer parameters for pure β-FeSi 2 and α-FeSi 2 are given. Temperature dependence of isomer shift and quadrupole splitting for the two Fe positions in β-FeSi 2 is presented. For α-FeSi 2 only average values are given. Spectra of Co- and Al-doped FeSi 2 recorded at 80, 293, 557 and 788 K were analyzed in the same manner as those of undoped FeSi 2 . The average values of isomer shift and quadrupole splitting in Co- and Al-doped β-FeSi 2 (α-Fesi 2 ) were compared to those found in undoped β-FeSi 2 (α-FeSi 2 ). All data were based on the room temperature spectra. Changes in Moessbauer parameters of doped samples relative to undoped ones were generally small, being of the order of hundredths of mm/sec. (Z.S.)

Structural and optical properties of Cu-doped ZnS nanoparticles formed in chitosan/sodium alginate multilayer films.

Science.gov (United States)

Wang, Liping; Sun, Yujie; Xie, Xiaodong

2014-05-01

Chitosan/alginate multilayers were fabricated using a spin-coating method, and ZnS:Cu nanoparticles were generated within the network of two natural polysaccharides, chitosan and sodium alginate. The synthesized nanoparticles were characterized using an X-ray diffractometer (XRD), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and atomic force microscopy (AFM). The results showed that cubic zinc blende-structured ZnS:Cu nanoparticles with an average crystal size of ~ 3 nm were uniformly distributed. UV-vis spectra indicate a large quantum size effect and the absorption edge for the ZnS:Cu nanoparticles slightly shifted to longer wavelengths with increasing Cu ion concentrations. The photoluminescence of the Cu-doped ZnS nanoparticles reached a maximum at a 1% doping level. The ZnS:Cu nanoparticles form and are distributed uniformly in the composite multilayer films with a surface average height of 25 nm. Copyright © 2013 John Wiley & Sons, Ltd.

Room temperature ferromagnetism in Fe-doped CeO2 nanoparticles.

Science.gov (United States)

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.

Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

International Nuclear Information System (INIS)

Kaur, Maninder; Qiang, You; Dai, Qilin; Tang, Jinke; Bowden, Mark; Engelhard, Mark; Wu, Yaqiao

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 ( 2 O 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

Defects induced magnetic transition in Co doped ZnS thin films: Effects of swift heavy ion irradiations

Energy Technology Data Exchange (ETDEWEB)

Patel, Shiv P., E-mail: shivpoojanbhola@gmail.com [Physics Department, University of Allahabad, Allahabad 211002 (India); Pivin, J.C. [CSNSM, IN2P3-CNRS, Batiment 108, F-91405 Orsay Campus (France); Patel, M.K; Won, Jonghan [Materials Science and Technology Division, MST-8, P.O.Box 1663, Mail Stop G755, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chandra, Ramesh [Nanoscience Laboratory, IIC, Indian Institute of Technology, Roorkee 247667 (India); Kanjilal, D. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Kumar, Lokendra [Physics Department, University of Allahabad, Allahabad 211002 (India)

2012-07-15

The effect of swift heavy ions (SHI) on magnetic ordering in ZnS thin films with Co ions substituted on Zn sites is investigated. The materials have been synthesized by pulsed laser deposition on substrates held at 600 Degree-Sign C for obtaining films with wurtzite crystal structure and it showed ferromagnetic ordering up to room temperature with a paramagnetic component. 120 MeV Ag ions have been used at different fluences of 1 Multiplication-Sign 10{sup 11} ions/cm{sup 2} and 1 Multiplication-Sign 10{sup 12} ions/cm{sup 2} for SHI induced modifications. The long range correlation between paramagnetic spins on Co ions was destroyed by irradiation and the material became purely paramagnetic. The effect is ascribed to the formation of cylindrical ion tracks due to the thermal spikes resulting from electron-phonon coupling. - Highlights: Black-Right-Pointing-Pointer Effect of swift heavy ions on magnetic ordering in Co doped ZnS thin films are presented. Black-Right-Pointing-Pointer Magnetization in the pristine films is composed of ferromagnetic and paramagnetic components. Black-Right-Pointing-Pointer The films become purely paramagnetic after swift heavy ions irradiation. Black-Right-Pointing-Pointer The magnetic transition is ascribed to the formation of ion track (or cylindrical defects) due to the thermal spikes.

Photoluminescence of ZnS: Mn quantum dot by hydrothermal method

Directory of Open Access Journals (Sweden)

Yun Hu

2018-01-01

Full Text Available ZnS: Mn quantum dots (QDs with the average grain size from 4.2 to 7.2 nm were synthesized by a hydrothermal method. All samples were cubic zinc blende structure (β-ZnS measured using X-ray diffraction (XRD. And the main diffraction peaks of ZnS: Mn shifted slightly towards higher angle in comparison with the intrinsic ZnS because of the substitution of Mn2+ for Zn2+. Due to the small grain size (4-7 nm effect, the poor dispersion and serious reunion phenomenon for the samples were observed from transmission electron microscopy (TEM. ZnS: Mn QDs had four peaks centered at 466, 495, 522, and 554 nm, respectively, in the photoluminescence (PL spectra, in which the band at 554 nm absent in the intrinsic ZnS: Mn is attributed to the doping of Mn2+ in the lattice sites. As the concentration of Mn2+ increasing from 0% to 0.6 at%, the intensity of the PL emission also increased. But the concentration reached 0.9 at%, quenching of PL emission occurred. The peak in ZnS: Mn QDs observed at 490 cm-1 was originated from the stretching vibration of the Mn–O bonds in the Fourier transform infrared (FTIR spectra. And the small changes about this peak compared with the previous reports at 500 cm-1 can be attributed to the formation of quantum dots. This method we utilized to synthesize ZnS: Mn QDs is very simple, low cost, and applicable for other semiconductor QD materials.

Superparamagnetic behavior of Fe-doped SnO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Hachisu, M.; Onuma, K.; Kondo, T.; Miike, K.; Miyasaka, T.; Mori, K.; Ichiyanagi, Y. [Department of Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya, Yokohama, Kanagawa 240-8501 (Japan)

2014-02-20

SnO{sub 2} is an n-type semiconductor with a wide band gap of 3.62 eV, and SnO{sub 2} 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%) SnO{sub 2} nanoparticles, prepared using our novel chemical preparation method and encapsulated in amorphous SiO{sub 2}, 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 SnO{sub 2} 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 SnO{sub 2} 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.

Electrochemical sensing behaviour of Ni doped Fe{sub 3}O{sub 4} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Suresh, R.; Giribabu, K.; Manigandan, R.; Narayanan, V., E-mail: vnnara@yahoo.co.in [Department of Inorganic Chemistry, University of Madras, Guindy Campus, Chennai 600 025 (India); Vijayalakshmi, L. [Annai Veilankanni' s College for Women (Arts and Science), Saidapet, Chennai 600015 (India); Stephen, A. [Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai 600 025 (India)

2014-01-28

Ni doped Fe{sub 3}O{sub 4} nanoparticles were synthesized by simple hydrothermal method. The prepared nanomaterials were characterized by X-ray diffraction analysis, DRS-UV-Visible spectroscopy and field emission scanning electron microscopy. The XRD confirms the phase purity of the synthesized Ni doped Fe{sub 3}O{sub 4} nanoparticles. The optical property of Ni doped Fe{sub 3}O{sub 4} nanoparticles were studied by DRS UV-Visible analysis. The electrochemical sensing property of pure and Ni doped Fe{sub 3}O{sub 4} nanoparticles were examined using uric acid as an analyte. The obtained results indicated that the Ni doped Fe{sub 3}O{sub 4} nanoparticles exhibited higher electrocatalytic activity towards uric acid.

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

Science.gov (United States)

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 interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

Energy Technology Data Exchange (ETDEWEB)

Kaur, Maninder; Qiang, You, E-mail: youqiang@uidaho.edu [Department of Physics, University of Idaho, Moscow, Idaho 83844 (United States); Dai, Qilin; Tang, Jinke [Department of Physics and Astronomy, University of Wyoming, Laramie, Wyoming 82071 (United States); Bowden, Mark; Engelhard, Mark [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Wu, Yaqiao [Department of Materials Science and Engineering, Boise State University, Boise, Idaho 83725 (United States); Center for Advanced Energy Studies, Idaho Falls, Idaho 83401 (United States)

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.

First principles study of magneto-optical properties of Fe-doped ZnO

Energy Technology Data Exchange (ETDEWEB)

Shaoqiang, Guo [College of Science, Inner Mongolia University of Technology, Hohhot 010051 (China); Qingyu, Hou, E-mail: by0501119@126.com [College of Science, Inner Mongolia University of Technology, Hohhot 010051 (China); Zhenchao, Xu [College of Science, Inner Mongolia University of Technology, Hohhot 010051 (China); Chunwang, Zhao [College of Science, Inner Mongolia University of Technology, Hohhot 010051 (China); College of Arts and Sciences, Shanghai Maritime University, Shanghai 201306 (China)

2016-12-15

Studies on optical band gaps and absorption spectra of Fe-doped ZnO have conflicting conclusions, such as contradictory redshifted and blueshifted spectra. To solve this contradiction, we constructed models of un-doped and Fe-doped ZnO using first-principles theory and optimized the geometry of the three models. Electronic structures and absorption spectra were also calculated using the GGA+U method. Higher doping content of Fe resulted in larger volume of doped system, and higher total energy resulted in lower stability. Higher formation energy also led to more difficult doping. Meanwhile, the band gaps broadened and the absorption spectra exhibited an evident blue shift. The calculations were in good agreement with the experimental results. Given the unipolar structure of ZnO, four possible magnetic coupling configurations for Zn{sub 14}Fe{sub 2}O{sub 16} were calculated to investigate the magnetic properties. Results suggest that Fe doping can improve ferromagnetism in the ZnO system and that ferromagnetic stabilization was mediated by p–d exchange interaction between Fe-3d and O-2p orbitals. Therefore, the doped system is expected to obtain high stability and high Curie temperature of diluted magnetic semiconductor material, which are useful as theoretical bases for the design and preparation of the Fe-doped ZnO system’s magneto-optical properties. - Highlights: • A biomonitoring tool for the freshwater zone of template estuaries. • Water quality characterization related to nutrients and organic matter enrichment. • The percentage of a group of 24 tolerant species were capable of detecting the impairment of the water quality. • Characterization of morpho-functional traits of the selected tolerant species.

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

Energy Technology Data Exchange (ETDEWEB)

Mohajeri, Afshan, E-mail: amohajeri@shirazu.ac.ir; Dashti, Nasimeh Lari

2017-06-15

Highlights: • The stability and electronic properties of N/Fe-doped (TiO{sub 2}){sub n} clusters with n = 5,6 were studied. • The adsorption H{sub 2}O{sub 2} on the surface of doped clusters has been investigated. • This is the first report of H{sub 2}O{sub 2} adsorption onto the (TiO{sub 2}){sub n} cluster in the presence of metal and non-metal dopants. • The effect of N and Fe dopants on interaction strength was studied. - Abstract: 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 (TiO{sub 2}){sub 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 H{sub 2}O{sub 2} 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 H{sub 2}O{sub 2} and doped (TiO{sub 2}){sub n} clusters, especially for Fe-doped clusters.

Comparative study of (N, Fe) doped TiO{sub 2} photocatalysts

Energy Technology Data Exchange (ETDEWEB)

Larumbe, S., E-mail: silvia.larumbe@unavarra.es [Departamento Física, Universidad Pública de Navarra, Campus de Arrosadia, 31006 Pamplona (Spain); Monge, M. [Departamento de Química, Universidad de la Rioja, Centro de Investigación en Síntesis Química (CISQ), Complejo Científico Tecnológico, 26006 Logroño (Spain); Gómez-Polo, C. [Departamento Física, Universidad Pública de Navarra, Campus de Arrosadia, 31006 Pamplona (Spain)

2015-02-01

Highlights: • Fe, N doped TiO{sub 2} nanoparticles were synthesized by sol–gel. • The nitrogen content controlled the mean size of nanoparticles and afterwards the modification of cell parameters with respect the undoped sample. • Both doping elements induced the increase of the anatase-rutile transition temperature. • A red-shift is observed in the absorption spectra with the introduction of both elements. • An improvement of photocatalytic activity is observed with the introduction of nitrogen under UV and Visible light. However for higher concentrations a decrease in kinetic constants was observed as consequence of the oxygen vacancies acting as recombination centers. On the contrary, a deterioration of photocatalytic efficiency is found for the Fe doped samples. • A correlation between magnetic behavior and photocatalytic activity was found. - Abstract: The effect of N and Fe doping on the structural, optical, photocatalytic and magnetic properties of TiO{sub 2} nanoparticles is analyzed. Undoped, N and Fe doped TiO{sub 2} nanoparticles were synthesized by sol–gel method. Titanium tetraisopropoxide (TTIP) was used as the alkoxyde precursor and iron (III) nitrate and urea were the employed precursors to obtain Fe and N doped TiO{sub 2} nanoparticles, respectively. Differential Scanning Calorimetry (DSC) and Thermogravimetrical Analysis (TGA) enabled the analysis of the thermal decomposition process and the final calcination temperature. X-Ray Diffraction patterns of the calcined nanoparticles displayed a monophasic anatase structure in all the samples with mean crystallite diameter around 4–6 nm. The introduction of Fe or N induced a red-shift in the absorption spectra. Such a red-shift is characterized by a decrease in the band-gap energy and the occurrence of an absorption (Urbach) tail in the visible region. Finally, the photocatalytic efficiency was evaluated under UV and Visible light, obtaining an improvement of the kinetic constants in

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

Science.gov (United States)

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.

Science.gov (United States)

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

Science.gov (United States)

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.

Synthesis and characterization of Fe doped cadmium selenide thin films by spray pyrolysis

Energy Technology Data Exchange (ETDEWEB)

Yadav, Abhijit A., E-mail: aay_physics@yahoo.co.in [Thin Film Physics Laboratory, Department of Physics, Electronics and Photonics, Rajarshi Shahu Mahavidyalaya, Latur 413 512, Maharashtra (India)

2012-12-05

Highlights: Black-Right-Pointing-Pointer Simple and inexpensive method to dope trivalent Fe in CdSe thin films. Black-Right-Pointing-Pointer Fe doped CdSe thin films are highly photosensitive. Black-Right-Pointing-Pointer AFM analysis shows uniform deposition of film over the entire substrate surface. Black-Right-Pointing-Pointer The band gap energy decreases from 1.74 to 1.65 eV with Fe doping. Black-Right-Pointing-Pointer Film resistivity decreases to 6.76 Multiplication-Sign 10{sup 4} {Omega}-cm with Fe doping in CdSe thin films. - Abstract: Undoped and Fe doped CdSe thin films have been deposited onto the amorphous and fluorine doped tin oxide coated glass substrates by spray pyrolysis. The Fe doping concentration has been optimized by photoelectrochemical (PEC) characterization technique. The structural, surface morphological, compositional, optical and electrical properties of undoped and Fe doped CdSe thin films have been studied. X-ray diffraction study reveals that the as deposited CdSe films possess hexagonal crystal structure with preferential orientation along (1 0 0) plane. AFM analysis shows uniform deposition of the film over the entire substrate surface with minimum surface roughness of 7.90 nm. Direct allowed type of transition with band gap decreasing from 1.74 to 1.65 eV with Fe doping has been observed. The activation energy of the films has been found to be in the range of 0.14-0.19 eV at low temperature and 0.27-0.44 eV at high temperature. Semi-conducting behavior has been observed from resistivity measurements. The thermoelectric power measurements reveal that the films are of n type.

Hydrothermal synthesis of Fe-doped TiO2 nanostructure photocatalyst

International Nuclear Information System (INIS)

Nguyen, Van Nghia; Nguyen, Ngoc Khoa Truong; Nguyen, Phi Hung

2011-01-01

Fe-doped TiO 2 catalyst was prepared by the hydrothermal method. The resulting nanopowders were characterized by x-ray diffraction, transmission electron microscopy and Raman and UV-visible spectroscopies. The photocatalytic activity of the Fe-doped TiO 2 was tested by decomposition of methylene orange with a concentration of 10 mg l −1 in aqueous solution. The obtained results showed that methylene orange was significantly degraded after irradiation for 90 min under a halogen lamp and sunlight. The doping effect on the photocatalytic activity of the iron-doped catalyst samples are discussed

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

Science.gov (United States)

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.

Coexistence of magnetism and superconductivity in the hole doped FeAs-based superconducting compound

International Nuclear Information System (INIS)

Lu, T.P.; Wu, C.C.; Chou, W.H.; Lan, M.D.

2010-01-01

The magnetic and superconducting properties of the Sm-doped FeAs-based superconducting compound were investigated under wide ranges of temperature and magnetic field. After the systematical magnetic ion substitution, the superconducting transition temperature decreases with increasing magnetic moment. The hysteresis loop of the La 0.87-x Sm x Sr 0.13 FeAsO sample shows a superconducting hysteresis and a paramagnetic background signal. The paramagnetic signal is mainly attributed to the Sm moments. The experiment demonstrates that the coexistence of magnetism and superconductivity in the hole doped FeAs-based superconducting compounds is possible. Unlike the electron doped FeAs-based superconducting compounds SmFeAsOF, the hole doped superconductivity is degraded by the substitution of La by Sm. The hole-doped and electron-doped sides are not symmetric.

Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals

Science.gov (United States)

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.

Influence of bismuth doping on the structural and optical properties of ZnS thin films and nanopowders

International Nuclear Information System (INIS)

Mageswari, S; Palanivel, Balan; Dhivya, L; Murugan, Ramaswamy

2013-01-01

Zn (1−x/2) Bi x/3 S (x = 0, 0.03, 0.09) thin films and nanopowders synthesized by the simple chemical bath deposition technique were characterized using x-ray diffraction (XRD), scanning electron microscope, energy dispersive x-ray analysis, an atomic force microscope (AFM) and ultraviolet visible (UV–Vis) and photoluminescence spectroscopy. XRD analysis revealed a sphalerite structure for Zn (1−x/2) Bi x/3 S (x = 0, 0.03, 0.09) thin films. However, the XRD pattern of Zn (1−x/2) Bi x/3 S (x = 0.09) nanopowder revealed the co-existence of both sphalerite and hexagonal (wurtzite) phases. The crystallite size of Zn (1−x/2) Bi x/3 S (x = 0, 0.03, 0.09) nanopowders were found to be in the range of 2–4 nm. AFM studies revealed that the film quality of Zn (1−x/2) Bi x/3 S (x = 0.09) was relatively good compared to other films. A notable decrease in the band gap of both the thin films and nanopowders were observed with incorporation of Bi 3+ in ZnS. These results indicate that Bi doped ZnS can be used to enhance the photocatalytic H 2 -production activity under visible and UV light. (paper)

Photocatalytic and microwave absorbing properties of polypyrrole/Fe-doped TiO2 composite by in situ polymerization method

International Nuclear Information System (INIS)

Li Qiaoling; Zhang Cunrui; Li Jianqiang

2011-01-01

Research highlights: → Polypyrrole/Fe-doped TiO 2 composite is prepared by in situ polymerization of pyrrole on the Fe-doped TiO 2 template. → The Fe-doped TiO 2 microbelts are prepared by sol-gel method using the absorbent cotton template for the first time. → Then the Fe-doped TiO 2 microbelts are used as template for the preparation of polypyrrole/Fe-doped TiO 2 composites. → The structure, morphology and properties of the composites are characterized with scanning electron microscope (SEM), IR, Net-work Analyzer. → A possible formation mechanism of Fe-doped TiO 2 microbelts and polypyrrole/Fe-doped TiO 2 composites has been proposed. → The effect of the mol ratio of pyrrole/Fe-doped TiO 2 on the photocatalysis properties and microwave loss properties of the composites is investigated. - Abstract: The Fe-doped TiO 2 microbelts were prepared by sol-gel method using the absorbent cotton template for the first time. Then the Fe-doped TiO 2 microbelts were used as templates for the preparation of polypyrrole/Fe-doped TiO 2 composites. Polypyrrole/Fe-doped TiO 2 composites were prepared by in situ polymerization of pyrrole on the Fe-doped TiO 2 template. The structure, morphology and properties of the composites were characterized with scanning electron microscope (SEM), FTIR, Net-work Analyzer. The possible formation mechanisms of Fe-doped TiO 2 microbelts and polypyrrole/Fe-doped TiO 2 composites have been proposed. The effect of the molar ratio of pyrrole/Fe-doped TiO 2 on the photocatalytic properties and microwave loss properties of the composites was investigated.

Magnetostriction of the polycrystalline Fe80Al20 alloy doped with boron

International Nuclear Information System (INIS)

Bormio-Nunes, Cristina; Teodoro dos Santos, Claudio; Botani de Souza Dias, Mateus; Doerr, Mathias; Granovsky, Sergey; Loewenhaupt, Michael

2012-01-01

Highlights: ► Fe 80 Al 20 polycrystalline alloy magnetostriction 40 ppm increased to 80 ppm due to 2% of B doping. ► B stabilizes α-FeAl phase and a coexistence of α-FeAl + Fe 3 Al improves magnetostriction. ► Presence of Fe 2 B phase causes domain rearrangement revealed by the decrease of the volume magnetostriction. - Abstract: The doping of Fe 80 Al 20 polycrystalline alloy with 2% of boron increased the total magnetostriction twofold compared to a sample without boron. A value close to 80 ppm was achieved at 300 K. The microstructures of the boron-doped alloys show a dendritically solidified matrix with interdendritic α-FeAl and/or Fe 3 Al and Fe 2 B eutectic between the grains. The XRD analysis reveals an increase in the volume fraction of α-FeAl and a correspondent decrease of the Fe 3 Al phase volume fraction as the boron content increases. The increase of the volume fraction of this tetragonal Fe 2 B phase in the samples doped with boron causes the decrease of the strong volume magnetostriction that was observed in the alloy without boron. There is some evidence that the improvement of the magnetostriction magnitude due to the addition of boron to the Fe 80 Al 20 alloy could reach the maximal magnetostriction if the 1:1 optimal ratio of the volume fractions of the α-FeAl and Fe 3 Al phases could be reached.

Effect of Fe and C doping on the thermal release of helium from aluminum

International Nuclear Information System (INIS)

Xiang, X.; Chen, C.A.; Liu, K.Z.; Peng, L.X.; Rao, Y.C.

2010-01-01

The effect of Fe and C doping on the thermal release of helium from Al implanted with 10 keV, 4.0 x 10 21 ion/m 2 He at room temperature (RT) has been investigated by thermal helium desorption spectrometry (THDS) and transmission electron microscope (TEM). The results show that Fe and C doping have significant impact on the release of helium from Al and the extent depends on the doping fluence. Proper fluence of Fe and C doping would lead to the retardation of the release of helium from Al, while excessive fluence of Fe and C doping would result in more desorption peaks and the release of helium in lower temperature ranges. Fe and C doping have different influence on the release of helium from Al, and the difference is related with the secondary phases forming in the samples.

Research by Moessbauer and infrared spectroscopy of films of polyacrylonitrile doped with FeCl2 and FeCl3

International Nuclear Information System (INIS)

Santos, Vadilson M. dos; Silva Filho, Eloi A. da; Nunes Filho, Evaristo

2009-01-01

The heating effect on films of polyacrylonitrile and doping of the ions Fe(II) and Fe (III) may reveal important aspects of the use of this polymer in the search for new materials. This paper was done the doping of the films of PAN with ions Fe(II) and Fe (III), with thermo heating is range of 60 a 90 deg C e de 90 a 170 deg C through the alkaline and acid hydrolysis of the CN groups used spectroscopy of FTIR and Moessbauer techniques to evaluate the structural changes results of doping process this polymer. The results showed that the FTIR spectral have a strong interaction of the ions Fe(II) and Fe (III) with PAN and confirmed by Moessbauer data. (author)

Role of magnesium in ZnS structure: Experimental and theoretical investigation

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M. Y. Shahid

2016-02-01

Full Text Available Wide band gap semiconductor materials are extending significant applications in electronics and optoelectronics industry. They are showing continued advancement in ultraviolet to infrared LEDs and laser diodes. Likewise the band gap tunability of ZnS with intentional impurities such as Mg and Mn are found useful for optoelectronic devices. Information from literature indicates slight blue shift in the band gap energy of ZnS by Mg doping but nevertheless, we report a reasonable red shift (3.48 eV/356 nm to 2.58 eV/480 nm in ZnS band gap energy in Mg-ZnS structure. Theoretical model based on first principle theory using local density approximation revealed consistent results on Mg-ZnS structure. Similarly, structural, morphological, optical and electrical properties of the as grown Mg-ZnS were studied by XRD, SEM, FTIR, EDS, UV-Vis Spectrophotometer and Hall measurement techniques.

Enhanced photocatalytic property of BiFeO_3/N-doped graphene composites and mechanism insight

International Nuclear Information System (INIS)

Li, Pai; Li, Lei; Xu, Maji; Chen, Qiang; He, Yunbin

2017-01-01

Highlights: • A hydrothermal process was used to prepare BiFeO_3/N-doped graphene composites. • BiFeO_3/N-doped graphene exhibits superior photocatalytic activity and stability. • The energy band of BiFeO_3 bends downward by ∼1.0 eV at the composite interface. • Downward band bending leads to rapid electron transfer at the composite interface. • Holes and ·OH are predominant active species in the photo-degradation process. - Abstract: A series of BiFeO_3/(N-doped) graphene composites are prepared by a facile hydrothermal method. BiFeO_3/N-doped graphene shows photocatalytic performance superior to that of BiFeO_3/graphene and pristine BiFeO_3. The enhanced photo-degradation performance of BiFeO_3/N-doped graphene are mainly attributable to the improved light absorbance of the composite, abundant active adsorption sites and high electrical charge mobility of N-doped graphene, and the downward band bending of BiFeO_3 at the composite interface. In particular, X-ray photoelectron spectroscopy analyses reveal that the electron energy band of BiFeO_3 is downward bent by 1.0 eV at the interface of BiFeO_3/N-doped graphene, because of different work functions of both materials. This downward band bending facilitates the transfer of photogenerated electrons from BiFeO_3 to N-doped graphene and prompts the separation of photo-generated electron-hole pairs, leading eventually to the enhanced photocatalytic performance.

Structural and electrochemical properties of Cl-doped LiFePO{sub 4}/C

Energy Technology Data Exchange (ETDEWEB)

Sun, C.S.; Zhang, Y.; Zhang, X.J.; Zhou, Z. [Institute of New Energy Material Chemistry, Nankai University, Tianjin 300071 (China)

2010-06-01

Cl-doped LiFePO{sub 4}/C cathode materials were synthesized through a carbothermal reduction route, and the microstructure and electrochemical performances were systematically studied. Cl-doped LiFePO{sub 4}/C cathode materials presented a high discharge capacity of {proportional_to}90 mAh g{sup -1} at the rate of 20 C (3400 mA g{sup -1}) at room temperature. Electrochemical impedance spectroscopy and cyclic voltamperometry indicated the optimized electrochemical reaction and Li{sup +} diffusion in the bulk of LiFePO{sub 4} due to Cl-doping. The improved Li{sup +} diffusion capability is attributed to the microstructure modification of LiFePO{sub 4} via Cl-doping. (author)

Influence of Fe-doping on the structural, optical and magnetic properties of ZnO nanoparticles

International Nuclear Information System (INIS)

Liu Changzhen; Meng Dawei; Pang Haixia; Wu Xiuling; Xie Jing; Yu Xiaohong; Chen Long; Liu Xiaoyang

2012-01-01

Zn 1–x Fe x O (x=0–0.05) nanoparticles were synthesized without a catalyst by a two-step method. Fe was doped into ZnO by a source of metallic Fe sheets in a solid–liquid system at 80 °C, and the Zn 1−x Fe x O nanoparticles were obtained by annealing at 300 °C. X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy were used to characterize the structural properties of the as-grown Zn 1−x Fe x O. The optical properties were determined by Infrared and Ultraviolet–visible spectroscopy. The results confirm that the crystallinity of the ZnO is deteriorated due to Fe-doping. XPS results show that there is a mixture of Fe 0+ and the Fe 3+ in the representative Zn 0.95 Fe 0.05 O sample. The optical band gap of Zn 1−x Fe x O is enhanced with increasing of Fe-doping. Room temperature ferromagnetism was observed in all the Fe-doped ZnO samples. - Highlights: ► Zn 1−x Fe x O nanoparticles were synthesized with a simple two-step method. ► The Zn 1−x Fe x O predecessors were synthesized at a low temperature. ► Fe element was readily doped from the source of metallic Fe sheet. ► All the Fe doping ZnO samples have room temperature ferromagnetism. ► The structural and properties of the Zn 1−x Fe x O are regular with different x.

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

Science.gov (United States)

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.

Preparation of nanocrystalline Ni doped ZnS thin films by ammonia-free chemical bath deposition method and optical properties

Energy Technology Data Exchange (ETDEWEB)

Sahraei, Reza, E-mail: r.sahraei@ilam.ac.ir; Darafarin, Soraya

2014-05-01

Nanocrystalline Ni doped ZnS thin films were deposited on quartz, silicon, and glass substrates using chemical bath deposition method in a weak acidic solution containing ethylenediamine tetra acetic acid disodium salt (Na{sub 2}EDTA) as a complexing agent for zinc ions and thioacetamide (TAA) as a sulfide source at 80 °C. The films were characterized by energy-dispersive X-ray spectrometer (EDX), inductively coupled plasma atomic emission spectroscopy (ICP-AES), Fourier transform-infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet–visible spectrophotometry, and photoluminescence (PL) spectroscopy. UV–vis transmission data showed that the films were transparent in the visible region. The X-ray diffraction analysis showed a cubic zinc blend structure. FE-SEM revealed a homogeneous morphology and dense nanostructures. The PL spectra of the ZnS:Ni films showed two characteristic bands, one broad band centered at 430 and another narrow band at 523 nm. Furthermore, concentration quenching effect on the photoluminescence intensity has been observed. - Highlights: • Nanocrystalline ZnS:Ni thin films were prepared by the chemical bath deposition method. • The size of ZnS:Ni nanocrystals was less than 10 nm showing quantum size effect. • SEM images demonstrated a dense and uniform surface that was free of pinholes. • The deposited films were highly transparent (>70%) in the visible region. • The PL spectra of ZnS:Ni thin films showed two emission peaks at 430 and 523 nm.

Synthesis and microwave absorption enhancement of Fe-doped NiO@SiO2@graphene nanocomposites

International Nuclear Information System (INIS)

Wang, Lei; Huang, Ying; Ding, Xiao; Liu, Panbo; Zong, Meng; Wang, Yan

2013-01-01

Highlights: • Fe-doped NiO@SiO 2 @graphene composites have excellent microwave performance. • The reflection loss of Fe doped NiO@SiO 2 @graphene was below −10 dB in 7–11 GHz. • The maximum absorption of Fe-doped NiO@SiO 2 @graphene was −51.2 dB at 8.6 GHz. -- Abstract: Fe-doped NiO@SiO 2 @graphene nanocomposites have been successfully fabricated for the first time, in which Fe-doped NiO nanoparticles are about 3 nm in diameter. In order to measure their electromagnetic properties, Fe-doped NiO@SiO 2 @graphene (25 wt%) wax composites were then prepared. The experimental results show that Fe-doped NiO@SiO 2 @graphene nanocomposites exhibit significantly enhanced microwave absorption performance in terms of both the maximum reflection loss value and the absorption bandwidth in comparison with NiO@SiO 2 @graphene. The maximum reflection loss of Fe-doped NiO@SiO 2 @graphene nanocomposites can reach −51.2 dB at 8.6 GHz with a thickness of 4 mm, and the absorption bandwidth with the reflection loss below −10 dB is 4 GHz (from 7 to 11 GHz). Therefore, this kind of nanocomposites may have the potential as high-efficient absorbers for microwave absorption applications

Effect of Al and Fe doping in ZnO on magnetic and magneto-transport properties

International Nuclear Information System (INIS)

Kumar, Santosh; Deepika; Tripathi, Malvika; Vaibhav, Pratyush; Kumar, Aman; Kumar, Ritesh; Choudhary, R.J.; Phase, D.M.

2016-01-01

The structural, magnetic and magneto-transport of undoped ZnO, Zn_0_._9_7Al_0_._0_3O, Zn_0_._9_5Fe_0_._0_5O and Zn_0_._9_2Al_0_._0_3Fe_0_._0_5O thin films grown on Si(100) substrate using pulsed laser deposition were investigated. The single phase nature of the films is confirmed by X-ray diffraction and Raman spectroscopy measurements. The possibility of Fe metal cluster in Fe doped/co-doped films is ruled out by Fe 2p core level photoelectron spectra. From O 1s core level spectra it is observed that oxygen vacancy is present in all the films. The undoped ZnO film shows magnetic ordering below ∼175 K, whereas Fe doped/codoped samples show magnetic ordering even at 300 K. The Al doped sample reveals paramagnetic behavior. The magneto-transport measurements suggest that the mobile carriers undergo exchange interaction with local magnetic moments. - Highlights: • Al, Fe, Al–Fe co-doped and undoped films of ZnO are deposited on Si by PLD. • Single phase (002) oriented Wurtzite ZnO phase is formed for all films. • Fe doped and Fe–Al co-doped ZnO films reveal magnetic hysteresis at 300 K. • Negative magnetoresistance is observed in undoped and Fe–Al co-doped ZnO film. • It is apparent that charge carriers are coupled with the local magnetic moment.

Effect of Al and Fe doping in ZnO on magnetic and magneto-transport properties

Energy Technology Data Exchange (ETDEWEB)

Kumar, Santosh, E-mail: skphysics@yahoo.co.in [Department of Physics, College of Commerce, Arts & Science, Patna 800020, Bihar (India); Deepika [Department of Physics, College of Commerce, Arts & Science, Patna 800020, Bihar (India); Tripathi, Malvika [UGC DAE, Consortium for scientific research, Indore 452001, Madhya Pradesh (India); Vaibhav, Pratyush [Jaypee University of Engineering and Technology, Guna 473226, Madhya Pradesh (India); Kumar, Aman [Indian Institute of Technology, Roorkee (India); Kumar, Ritesh [Department of Physics, College of Commerce, Arts & Science, Patna 800020, Bihar (India); Choudhary, R.J., E-mail: ram@csr.res.in [UGC DAE, Consortium for scientific research, Indore 452001, Madhya Pradesh (India); Phase, D.M. [UGC DAE, Consortium for scientific research, Indore 452001, Madhya Pradesh (India)

2016-12-01

The structural, magnetic and magneto-transport of undoped ZnO, Zn{sub 0.97}Al{sub 0.03}O, Zn{sub 0.95}Fe{sub 0.05}O and Zn{sub 0.92}Al{sub 0.03}Fe{sub 0.05}O thin films grown on Si(100) substrate using pulsed laser deposition were investigated. The single phase nature of the films is confirmed by X-ray diffraction and Raman spectroscopy measurements. The possibility of Fe metal cluster in Fe doped/co-doped films is ruled out by Fe 2p core level photoelectron spectra. From O 1s core level spectra it is observed that oxygen vacancy is present in all the films. The undoped ZnO film shows magnetic ordering below ∼175 K, whereas Fe doped/codoped samples show magnetic ordering even at 300 K. The Al doped sample reveals paramagnetic behavior. The magneto-transport measurements suggest that the mobile carriers undergo exchange interaction with local magnetic moments. - Highlights: • Al, Fe, Al–Fe co-doped and undoped films of ZnO are deposited on Si by PLD. • Single phase (002) oriented Wurtzite ZnO phase is formed for all films. • Fe doped and Fe–Al co-doped ZnO films reveal magnetic hysteresis at 300 K. • Negative magnetoresistance is observed in undoped and Fe–Al co-doped ZnO film. • It is apparent that charge carriers are coupled with the local magnetic moment.

DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene

International Nuclear Information System (INIS)

Zhang, Hong-ping; Luo, Xue-gang; Song, Hong-tao; Lin, Xiao-yan; Lu, Xiong; Tang, Youhong

2014-01-01

Highlights: • Fe-doped and Pt-doped graphene can significantly improve the interactions between H 2 S and graphene. • The location of S had an important role in the interactions between H 2 S and Fe-doped graphene. • The influence of Fe-S distance can be very weak in a certain range and H 2 S can be dissociated into S and H 2 . - Abstracts: Understanding the interaction mechanisms of hydrogen sulfide (H 2 S) with graphene is important in developing graphene-based sensors for gas detection and removal. In this study, the effects of doped Fe atom on interaction of H 2 S with graphene were investigated by density functional theory calculations. Analyses of adsorption energy, electron density difference, and density of states indicated that the doped Fe atom can significantly improve the interaction of H 2 S gas molecules with graphene, as well as Pt-doped graphene. The location of the sulfur atom is important in the interactions between H 2 S and Fe-doped graphene. The influence of the Fe-S distance can be very weak within a certain distance, as simulated in this study

Evolution of Spin fluctuations in CaFe2As2 with Co-doping.

Science.gov (United States)

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.

SYNTHESIS OF M–Nd DOPED Fe3O4 NANOPARTICLES (M = Co ...

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nanoparticles were spherical shaped with inverse spinel structure. ... To obtain nano sized spinel ferrite particles, various preparation techniques have been ... SEM images of (a) Fe3O4, (b) Fe3O4 doped with Nd3+ and Co2+, (c) Fe3O4 doped with. Nd3+ .... Nayar, S.; Mir, A.; Ashok, A.; Sharma, A. J. Bionic Eng. 2010, 7, 29.

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

Science.gov (United States)

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.

Studying Selective Transparency in ZnS/ Cu/ ZnS Thin Films

International Nuclear Information System (INIS)

Ksibe, A.; Howari, H.; Diab, M.

2009-01-01

Dielectric/ Metal/ Dielectric (DMD) thin films deposited on glass offer of significant energy saving in buildings and can find other applications of advanced materials design. In an effort to reduce the complexity and cost production of DMD films, physical vapor deposition was used for the laboratory manufacture of ZnS/ Cu/ ZnS films on glass. ZnS was used because of its high refractive index, ease of deposition and low cost; Cu was used because of its low absorption in the visible spectrum and its thermal stability. The films produced were of good quality, with transmittance as high as 85%. The ZnS layers were found not only to antireflect the Ag layer, but also to stabilize the ZnS/ Cu/ ZnS films, improve its adherence on glass and increase the film thermal resistance up to 240 C. The influence of annealing on the optical properties was investigated. The experimental results show that the properties of the multilayers are improved with annealing in air. the change of maximum transmission indicates that, with the increase of annealing temperature, maximum transmittance was change. Multilayer films annealed at after 200 C, show a decrease in the maximum transmittance witch might be due to the diffused Cu atoms onto ZnS layer. (author)

Thermal decomposition study of Mn doped Fe3O4 nanoparticles

Science.gov (United States)

Malek, Tasmira J.; Chaki, S. H.; Tailor, J. P.; Deshpande, M. P.

2016-05-01

Fe3O4 is an excellent magnetic material among iron oxides. It has a cubic inverse spinel structure exhibiting distinguished electric and magnetic properties. In this paper the authors report the synthesis of Mn doped Fe3O4 nanoparticles by wet chemical reduction technique at ambient temperature and its thermal characterization. Ferric chloride hexa-hydrate (FeCl3•6H2O), manganese chloride tetra-hydrate (MnCl2•4H2O) and sodium boro-hydrate (NaBH4) were used for synthesis of Fe3O4 nanoparticles at ambient temperature. The elemental composition of the as-synthesized Mn doped Fe3O4 nanoparticles were determined by energy dispersive analysis of X-rays (EDAX) technique. Thermogravimetric (TG) and differential thermal analysis (DTA) were carried out on the Mn doped Fe3O4 nanoparticles in the temperature range of ambient to 1124 K. The thermo-curves revealed that the particles decompose by four steps. The kinetic parameters were evaluated using non-mechanistic equations for the thermal decomposition.

The influence of Fe doping on the surface topography of GaN epitaxial material

International Nuclear Information System (INIS)

Cui Lei; Yin Haibo; Jiang Lijuan; Wang Quan; Feng Chun; Xiao Hongling; Wang Cuimei; Wang Xiaoliang; Gong Jiamin; Zhang Bo; Li Baiquan; Wang Zhanguo

2015-01-01

Fe doping is an effective method to obtain high resistivity GaN epitaxial material. But in some cases, Fe doping could result in serious deterioration of the GaN material surface topography, which will affect the electrical properties of two dimensional electron gas (2DEG) in HEMT device. In this paper, the influence of Fe doping on the surface topography of GaN epitaxial material is studied. The results of experiments indicate that the surface topography of Fe-doped GaN epitaxial material can be effectively improved and the resistivity could be increased after increasing the growth rate of GaN materials. The GaN material with good surface topography can be manufactured when the Fe doping concentration is 9 × 10 19 cm −3 . High resistivity GaN epitaxial material which is 1 × 10 9 Ω·cm is achieved. (paper)

Synthesis and properties of iridium-doped hematite ({alpha}-Fe{sub 2}O{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Krehula, Stjepko, E-mail: krehul@irb.hr [Division of Materials Chemistry, Ruder Boskovic Institute, P.O. Box 180, HR-10002 Zagreb (Croatia); Stefanic, Goran [Division of Materials Chemistry, Ruder Boskovic Institute, P.O. Box 180, HR-10002 Zagreb (Croatia); Zadro, Kreso [Department of Physics, Faculty of Science, University of Zagreb, Bijenicka 32, 10000 Zagreb (Croatia); Kratofil Krehula, Ljerka [Faculty of Chemical Engineering and Technology, University of Zagreb, Marulicev trg 19, 10000 Zagreb (Croatia); Marcius, Marijan; Music, Svetozar [Division of Materials Chemistry, Ruder Boskovic Institute, P.O. Box 180, HR-10002 Zagreb (Croatia)

2012-12-25

Highlights: Black-Right-Pointing-Pointer Ir-doped hematites were prepared by heating Ir-doped goethites. Black-Right-Pointing-Pointer Ir-doping in hematite led to an increase in unit cell and a decrease in crystallite size. Black-Right-Pointing-Pointer Ir-doping significantly affected magnetic, infrared and UV-Vis properties of hematite. Black-Right-Pointing-Pointer The Morin transition temperature increased with an increase in Ir-doping. Black-Right-Pointing-Pointer Ir ions brought about changes in the size and shape of the formed hematite particles. - Abstract: The effect of the incorporation of Ir{sup 3+} ions on the properties of {alpha}-Fe{sub 2}O{sub 3} formed by dehydroxylation of {alpha}-FeOOH was investigated using X-ray powder diffraction (XRD), thermogravimetric analysis (TGA), {sup 57}Fe Moessbauer, UV-Vis-NIR and FT-IR spectroscopies, SQUID magnetometer, field emission scanning electron microscopy (FE-SEM) and energy dispersive X-ray spectroscopy (EDS). Pure and Ir-doped hematite samples were obtained by heating of pure and Ir-doped goethites ({alpha}-FeOOH) formed by precipitation from mixed Fe(III)-Ir(III) chloride solutions in a highly alkaline medium. The incorporation of Ir{sup 3+} ions into the {alpha}-Fe{sub 2}O{sub 3} structure led to changes in unit-cell dimensions, crystallinity, particle size and shape, as well as changes in the magnetic, infrared and UV-Vis properties. An increase in the temperature of the Morin transition with an increase in Ir-doping was observed by Moessbauer spectroscopy and magnetic measurements.

Magnetic anomalies in Fe-doped NiO nanoparticle

Science.gov (United States)

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.

First–principle calculation of the elastic, band structure, electronic states, and optical properties of Cu–doped ZnS nanolayers

Energy Technology Data Exchange (ETDEWEB)

Lahiji, Mohammadreza Askaripour, E-mail: m.a.lahijiii@gmail.com [Department of applied mathematics, Astaneh Ashrafieh Branch, Islamic Azad University, Astaneh Ashrafieh (Iran, Islamic Republic of); Ziabari, Ali Abdolahzadeh, E-mail: ali.abd.ziabari@gmail.com [Nano Research Lab, Lahijan Branch, Islamic Azad University, P.O. Box: 1616, Lahijan (Iran, Islamic Republic of)

2016-11-15

The structural, elastic, electronic, and optical properties of undoped and Cu–doped ZnS nanostructured layers have been studied in the zincblende (ZB) phase, by first–principle approach. Density functional theory (DFT) has been employed to calculate the fundamental properties of the layers using full–potential linearized augmented plane–wave (FPLAPW) method. Mechanical analysis revealed that the bulk modulus increases with the increase of Cu content. Cu doping was found to reduce the band gap value of the material. In addition, DOS effective mass of the electrons and heavy holes was evaluated. Adding Cu caused the decrement/increment of transmission/reflectance of nanolayers in the UV–vis region. The substitution by Cu increased the intensity of the peaks, and a slight red shift was observed in the absorption peak. Moreover, the static dielectric constant, and static refractive index increased with Cu content. The optical conductivity also followed a similar trend to that of the dielectric constants. Energy loss function of the modeled compounds was also evaluated. All calculated parameters were compared with the available experimental and other theoretical results.

Magnetic and dielectric study of Fe-doped CdSe nanoparticles

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

2004-01-01

Structural characteristics of Fe-doped LaGaO 3-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 (R3-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 Ga 3+ with Fe 3+ leads to an electronic configuration of t 2g 3 e g 2 (high-spin state, HS)

Structural properties of Fe-doped lanthanum gallate

Science.gov (United States)

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).

Doping effects of Fe ion on magnetic anisotropy of YBa2Cu3Oy

International Nuclear Information System (INIS)

Ugawa, T.; Horii, S.; Maeda, T.; Haruta, M.; Shimoyama, J.

2013-01-01

Highlights: •We clarified orientation effects of Fe-doped Y123 in modulated rotating fields. •Y123 showed two different hard magnetic axes due to twin microstructures. •The two hard magnetic axes in Fe-doped Y123 were [1 0 0] and [1 1 0] directions. •Magnetic anisotropy of the [1 1 0] grain was higher than that of the [1 0 0] grain. -- Abstract: We report magnetic alignment of YBa 2 (Cu 1−x Fe x ) 3 O y (Fe-doped Y123, x = 0–0.1) powders under modulated rotation magnetic fields (MRFs) and roles of Fe ion as a determination factor of magnetic anisotropy in Y123. The Fe-free and Fe-doped Y123 powder samples aligned in the MRF of 10 T showed two different orientation types of the hard axis in Y123 grains. From an X-ray rocking curve measurement for the magnetically aligned powder samples of the Fe-doped Y123, inplane magnetic anisotropy for Y123 grains with the hard axis parallel to the [1 1 0] direction was found to be higher than that for Y123 grains with the hard axis parallel to the [0 1 0] direction

Experimental evidence of enhanced ferroelectricity in Ca doped BiFeO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Costa, L.V.; Deus, R.C. [Universidade Estadual Paulista, UNESP, Faculdade de Engenharia de Guaratinguetá, Av. Dr. Ariberto Pereira da Cunha, 333, Bairro Portal das Colinas, CEP 12516-410 Guaratinguetá, SP (Brazil); Foschini, C.R.; Longo, E. [Universidade Estadual Paulista, UNESP, Faculdade de Engenharia de Bauru, Dept. de Eng. Mecânica, Av. Eng. Luiz Edmundo C. Coube 14-01, 17033-360 Bauru, SP (Brazil); Cilense, M. [Universidade Estadual Paulista, UNESP, Instituto de Química – Laboratório Interdisciplinar em Cerâmica (LIEC), Rua Professor Francisco Degni s/n, 14800-90 Araraquara, SP (Brazil); Simões, A.Z., E-mail: alezipo@yahoo.com [Universidade Estadual Paulista, UNESP, Faculdade de Engenharia de Guaratinguetá, Av. Dr. Ariberto Pereira da Cunha, 333, Bairro Portal das Colinas, CEP 12516-410 Guaratinguetá, SP (Brazil)

2014-04-01

Calcium (Ca)-doped bismuth ferrite (BiFeO{sub 3}) thin films prepared by using the polymeric precursor method (PPM) were characterized by X-ray diffraction (XRD), field emission gun scanning electron microscopy (FEG-SEM), transmission electron microscopy (TEM), polarization and piezoelectric measurements. Structural studies by XRD and TEM reveal the co-existence of distorted rhombohedral and tetragonal phases in the highest doped BiFeO{sub 3} where enhanced ferroelectric and piezoelectric properties are produced by internal strain. Resistive switching is observed in BFO and Ca-doped BFO which are affected by the barrier contact and work function of multiferroic materials and Pt electrodes. A high coercive field in the hysteresis loop is observed for the BiFeO{sub 3} film. Piezoelectric properties are improved in the highest Ca-doped sample due to changes in the crystal structure of BFO for a primitive cubic perovskite lattice with four-fold symmetry and a large tetragonal distortion within the crystal domain. This observation introduces magnetoelectronics at room temperature by combining electronic conduction with electric and magnetic degrees of freedom which are already present in the multiferroic BiFeO{sub 3}. - Highlights: • Ca doped BiFeO{sub 3} thin films were obtained by the polymeric precursor method. • Co-existence of distorted rhombohedral and tetragonal phases are evident. • Enhanced ferroelectric and piezoelectric properties are produced by the internal strain in the Ca doped BiFeO{sub 3} film.

Structural and luminescent properties of Fe3+ doped PVA capped CdTe nanoparticles

Directory of Open Access Journals (Sweden)

Ravindranadh K.

2017-07-01

Full Text Available During recent decades, magnetic and semiconductor nanoparticles have attracted significant attention of scientists in various fields of engineering, physics, chemistry, biology and medicine. Fe3+ doped PVA capped CdTe nanoparticles were prepared by co-precipitation method and characterized by powder X-ray diffraction, SEM, TEM, FT-IR, optical, EPR and PL techniques to collect the information about the crystal structure, coordination/local site symmetry of doped Fe3+ ions in the host lattice and the luminescent properties of prepared sample. Powder XRD data revealed that the crystal structure belongs to a cubic system and its lattice cell parameters were evaluated. The average crystallite size was estimated to be 8 nm. The morphology of prepared samples was analyzed by using SEM and TEM investigations. Functional groups of the prepared sample were observed in FT-IR spectra. Optical absorption and EPR studies have shown that on doping, Fe3+ ions enter the host lattice in octahedral site symmetry. PL studies of Fe3+ doped PVA capped CdTe nanoparticles revealed UV and blue emission bands. CIE chromaticity coordinates were also calculated from the emission spectrum of Fe3+ doped PVA capped CdTe nanoparticles.

Supervalent doping of LiFePO4 for enhanced electrochemical performance

Directory of Open Access Journals (Sweden)

N. V. Kosova

2015-12-01

Full Text Available The orthophosphates LiFe0.9M0.1PO4 with the structure of olivine doped with vanadium and titanium were obtained by mechanochemically stimulated solidphase synthesis using high-energy planetary mill AGO-2 and subsequent annealing at 750 °C. It is shown that V- and Ti- ions do not completely substitute for Fe2+ ions in the LiFePO4 structure. The remaining part of these ions involve in the formation of second phase with nashiko-like structure: monoclinic Li3V2(PO43 (space group P21/n and rhombohedral LiTi2(PO43 (space group R-3c. According to TEM, the average size of the particle of nanocomposites is about 100-300 nm. EMF of microanalysis showed that the small particles of secondary phases are segregated at the surface of larger particles of LiFePO4. On the charge-discharge curves of LiFe0.9M0.1PO4 there are plateau corresponding to LiFePO4 and the second phase. The doping with vanadium increases the resistance of the cycling of LiFePO4 and improves its cyclability at high speeds to a greater extent than in the case of doping with titanium.

Structural properties of Fe-doped lanthanum gallate

Energy Technology Data Exchange (ETDEWEB)

Mori, Kazuhiro [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan)]. E-mail: kmori@rri.kyoto-u.ac.jp; Fukunaga, Toshiharu [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Shibata, Koji [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Iwase, Kenji [Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, Ibaraki 305-0801 (Japan); Harjo, Stefanus [Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, Ibaraki 305-0801 (Japan); Hoshikawa, Akinori [Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, Ibaraki 305-0801 (Japan); Itoh, Keiji [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Kamiyama, Takashi [Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, Ibaraki 305-0801 (Japan); Ishigaki, Toru [Department of Materials Science and Engineering, Muroran Institute for Technology, Muroran 050-8585 (Japan)

2004-10-30

Structural characteristics of Fe-doped LaGaO{sub 3-{delta}} 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 (R3-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 Ga{sup 3+} with Fe{sup 3+} leads to an electronic configuration of t{sub 2g}{sup 3}e{sub g}{sup 2} (high-spin state, HS)

Photocatalytic degradation of methylene blue on Fe3+-doped TiO2 nanoparticles under visible light irradiation

Institute of Scientific and Technical Information of China (English)

SU Bitao; WANG Ke; BAI Jie; MU Hongmei; TONG Yongchun; MIN Shixiong; SHE Shixiong; LEI Ziqiang

2007-01-01

Fe3+-doped TiO2 composite nanoparticles with different doping amounts were successfully synthesized using sol-gel method and characterized by X-ray diffraction (XRD),transmission electron microscopy (TEM) and ultraviolet-visible spectroscopy (UV-Vis) diffuse reflectance spectra (DRS). The photocatalytic degradation of methylene blue was used as a model reaction to evaluate the photocatalytic activity of Fe3+/TiO2 nanoparticles under visible light irradia-tion. The influence of doping amount of Fe3+ (ω: 0.00%-3.00%) on photocatalytic activities of TiO2 was investigated.Results show that the size of Fe3+/TiO2 particles decreases with the increase of the amount of Fe3+ and their absorptionspectra are broaden and absorption intensities are also increased. Doping Fe3+ can control the conversion of TiO2 from anatase to rutile. The doping amount of Fe3+ remarkably affects the activity of the catalyst, and the optimum efficiency occurs at about the doping amount of 0.3%. The appropriate doping of Fe3+ can markedly increase the catalytic activity of TiO2 under visible light irradiation.

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

Science.gov (United States)

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.

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

Directory of Open Access Journals (Sweden)

S. R. Singamaneni

2018-05-01

Full Text Available 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.

Superconductivity induced by doping Rh in CaFe2-xRhxAs2

International Nuclear Information System (INIS)

Qi Yanpeng; Wang Lei; Gao Zhaoshun; Wang Dongliang; Zhang Xianping; Wang Chunlei; Yao Chao; Ma Yanwei

2011-01-01

In this paper, we report the synthesis of iron-based superconductors CaFe 2-x Rh x As 2 using a one-step solid state reaction method that crystallizes in the ThCr 2 Si 2 -type structure with a space group I4/mmm. The systematic evolution of the lattice constants demonstrates that the Fe ions are successfully replaced by the Rh. By increasing the doping content of Rh, the spin-density-wave (SDW) transition in the parent compound is suppressed and superconductivity emerges. The maximum superconducting transition temperature is found at 18.5 K with a doping level of x=0.15. The temperature dependence of dc magnetization confirms superconducting transitions at around 15 K. The general phase diagram was obtained and found to be similar to the case of the Rh-doping Sr122 system. Our results explicitly demonstrate the feasibility of inducing superconductivity in Ca122 compounds by higher d-orbital electron doping; however, different Rh-doping effects between FeAs122 compounds and FeAs1111 systems still remains an open question.

CO_2 capture in Mg oxides doped with Fe and Ni

International Nuclear Information System (INIS)

Sanchez S, I. F.

2016-01-01

In this work the CO_2 capture-desorption characteristics in Mg oxides doped with Fe and Ni obtained by the direct oxidation of Mg-Ni and Mg-Fe mixtures are presented. Mixtures of Mg-Ni and Mg-Fe in a different composition were obtained by mechanical milling in a Spex-type mill in a controlled atmosphere of ultra high purity argon at a weight / weight ratio of 4:1 powder using methanol as a lubricating agent, for 20 h. The powders obtained by mechanical milling showed as main phase, the Mg with nanocrystalline structure. Subsequently, the mixtures of Mg-Ni and Mg-Fe were oxidized within a muffle for 10 min at 600 degrees Celsius. By means of X-ray diffraction analysis, the Mg O with nano metric grain size was identified as the main phase, which was determined by the Scherrer equation. In the Mg O doped with Ni, was identified that as the Ni amount 1 to 5% by weight dispersed in the Mg O matrix was increased, the main peak intensity of the Ni phase increased, whereas in the Mg O doped with Fe was observed by XRD, that the Fe_2O_3 phase was present and by increasing the amount of Fe (1 to 5% by weight) dispersed in the crystalline phase of Mg O, the intensity of this impurity also increased. Sem-EDS analysis showed that the Ni and Fe particles are dispersed homogeneously in the Mg O matrix, and the particles are porous, forming agglomerates. Through energy dispersive spectroscopy analysis, the elemental chemical composition obtained is very close to the theoretical composition. The capture of CO_2 in the Mg O-1% Ni was carried out in a Parr reactor at different conditions of pressure, temperature and reaction time. Was determined that under the pressure of 0.2 MPa at 26 degrees Celsius for 1 h of reaction, the highest CO_2 capture of 7.04% by weight was obtained, while in Mg O-1% Fe the CO_2 capture was 6.32% by weight. The other magnesium oxides doped in 2.5 and 5% by weight Ni and Fe showed lower CO_2 capture. The different stages of mass loss and thermal

Role of Fe doping on structural and vibrational properties of ZnO nanostructures

Energy Technology Data Exchange (ETDEWEB)

Pandiyarajan, T.; Udayabhaskar, R.; Karthikeyan, B. [National Institute of Technology, Department of Physics, Tiruchirappalli (India)

2012-05-15

In this report, Raman and Fourier Transform Infrared (FTIR) measurements were carried out to study the phonon modes of pure and Fe doped ZnO nanoparticles. The nanoparticles were prepared by sol-gel technique at room temperature. The X-ray diffraction measurements reveal that the nanoparticles are in hexagonal wurtzite structure and doping makes the shrinkage of the lattice parameters, whereas there is no alteration in the unit cell. Raman measurements show both E{sub 2}{sup low} and E{sub 2}{sup High} optical phonon mode is shifted towards lower wave number with Fe incorporation and explained on the basis of force constant variation, stress measurements, respectively. In addition, Fe related local vibrational modes (LVM) were observed for higher concentration of Fe doping. FTIR spectra reveal a band at 444 cm{sup -1} which is specific to E{sub 1} (TO) mode; a red-shift of this mode in Fe doped samples and some surface phonon modes were observed. Furthermore, the observation of additional IR modes, which is considered to have an origin related to Fe dopant in the ZnO nanostructures, is also reported. These additional mode features can be regarded as an indicator for the incorporation of Fe ions into the lattice position of the ZnO nanostructures. (orig.)

Facile synthesis of Sm-doped BiFeO{sub 3} nanoparticles for enhanced visible light photocatalytic performance

Energy Technology Data Exchange (ETDEWEB)

Hu, Zijun; Chen, Da, E-mail: dchen_80@hotmail.com; Wang, Sen; Zhang, Ning; Qin, Laishun, E-mail: qinlaishun@cjlu.edu.cn; Huang, Yuexiang

2017-06-15

Highlights: • Effective Sm doping into BiFeO{sub 3} nanoparticles was obtained by a facile sol-gel route. • Band gap of Sm-doped BiFeO{sub 3} nanoparticles was regulated by the dopant concentration. • Sm-doped BiFeO{sub 3} nanoparticles exhibited superior photocatalytic activities. • The possible photocatalytic mechanism of Sm-doped BiFeO{sub 3} nanospheres was discussed. - Abstract: In this work, the effect of Sm doping on the structural and photocatalytic properties of BiFeO{sub 3} (BFO) was investigated. A series of Sm doped BFO nanoparticles containing different Sm dopant contents (Bi{sub (1−x)}Sm{sub x}FeO{sub 3}, x = 0.00, 0.01, 0.03, 0.05, 0.07, 0.10) were synthesized via a simple sol-gel route. It was revealed that Sm{sup 3+} ions were successfully doped into BFO nanoparticles, and the band gap value was gradually decreased when increasing Sm dopant concentration. The photocatalytic activity of Sm-doped BFO photocatalyst was significantly affected by the Sm doping content. Compared to pure BFO, the Sm-doped BFO samples exhibited much higher photocatalytic activity. The improved photocatalytic activity of Sm-doped BFO could be attributed to the enhanced visible light absorption and the efficient separation of photogenerated electrons and holes derived from Sm dopant trapping level in the Sm-doped BFO samples. In addition, the possible photocatalytic mechanism of Sm-doped BFO photocatalyst was also proposed.

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

International Nuclear Information System (INIS)

Zhang, Jiajia; He, Haiyan; Pan, Bicai

2015-01-01

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 MoSe 2 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 MoSe 2 shows a high absorptivity for both infrared and visible light, where the photovoltaic efficiency of the doped MoSe 2 is as high as 56%, approaching the upper limit of photovoltaic efficiency of IB materials. So, the Fe- or Co-doped MoSe 2 is a promising two-dimensional photovoltaic material. (paper)

XAFS Studies of Fe Doped PhTiO3 Nanoparticles

International Nuclear Information System (INIS)

Shibata, Tomohiro; Chattopadhyay, Soma; Lin Bin; Palkar, V. R.

2007-01-01

Fe K and Ti K edge XAFS studies are reported on Fe doped PbTiO3 nanoparticles down to the 10 nm size. Fe forms Fe3+ ions and substitute for Ti4+ ions. For 18 nm nanoparticles, the Fe and Ti environment is found to be quite different. For PbFe0.5Ti0.5O3, locally the structure remains distorted from bulk to 10 nm size although the average structure changes

Photocatalytic behaviors and structural characterization of nanocrystalline Fe-doped TiO2 synthesized by mechanical alloying

International Nuclear Information System (INIS)

Kim, Dong Hyun; Hong, Hyun Seon; Kim, Sun Jae; Song, Jae Sung; Lee, Kyung Sub

2004-01-01

Nanocrystalline Fe-doped TiO 2 powders were synthesized by mechanical alloying (MA) with varying Fe contents from 0 up to 4.8 wt.% to shift the absorption threshold into the visible light region. The photocatalytic feasibility of the Fe-doped TiO 2 powder was evaluated by quantifying the visible light absorption capacity using ultraviolet and visible (UV-Vis) spectroscopy and photoluminescence spectroscopy. Effects of Fe additions on the crystal structures and the morphologies of the Fe-doped powders were also investigated as a function of the doping content using transmission electron microscopy-electron diffraction pattern (TEM-EDP), X-ray diffraction (XRD) and energy dispersive X-ray (EDAX) and X-ray photoelectron spectroscopy (XPS). The UV-Vis study showed that the UV absorption for the Fe-doped powder moved to a longer wavelength (red shift) and the photoefficiency was enhanced. Based on the analysis of the photoluminescence spectra, the red shift was believed to be induced by localizing the dopant level near the valence band of TiO 2 . The UV-Vis absorption depended on the Fe concentration. TEM-EDP and XRD investigations showed that the Fe-doped powder had a rutile phase in which the added Fe atoms were dissolved. The rutile phase was composed of spherical particles and chestnut bur shaped particles, resulting in a larger surface area than the spherical P-25 powder

First principle investigations on Boron doped Fe2VAl Heusler alloy

International Nuclear Information System (INIS)

Venkatesh, Ch.; Srivastava, S.K.; Rao, V.V.

2014-01-01

The role of atomic size of sp-element is investigated through theoretical calculations and basic experiments to understand the physical properties of Boron doped Fe 2 VAl alloy. The results of ab-initio calculations on ordered L2 1 structure of Fe 2 VAl 1-x B x (x=0, 0.5, 1) alloys have been compared to understand the role of sp-element size on the hybridization among their respective valance states. Interestingly, semi-metallic and paramagnetic like ground states were found in the Boron doped alloys in similar to Fe 2 VAl, eliminating the role of size of the doppent sp-atom. These calculations result in hybridization where the covalent distribution of valance states among the atoms is responsible to produce a finite pseudo-gap at the Fermi level. The observed features could be explained on the basis of covalent theory of magnetism in which an amount of spectral weight transfer occurs in the DOS spectrum among the same spin orbitals, leading to symmetric distribution of bonding and anti-bonding states. However, the obtained experimental findings on Boron doped alloys are in contrast with these calculations, indicating that experimentally the alloy formation into an ideal L2 1 lattice does not happen while doping with Boron. Further, the micro structural analysis shows Boron segregation across the grain boundaries that may form magnetic inhomogeneities in the lattice of Boron doped Fe 2 VAl alloys which preferably cause these experimental anomalies

Electrosynthesis and characterization of Fe doped CdSe thin films from ethylene glycol bath

International Nuclear Information System (INIS)

Pawar, S.M.; Moholkar, A.V.; Rajpure, K.Y.; Bhosale, C.H.

2007-01-01

The CdSe and Fe doped CdSe (Fe:CdSe) thin films have been electrodeposited potentiostatically onto the stainless steel and fluorine doped tin oxide (FTO) glass substrates, from ethylene glycol bath containing (CH 3 COO) 2 .Cd.2H 2 O, SeO 2 , and FeCl 3 at room temperature. The doping concentration of Fe is optimized by using (photo) electrochemical (PEC) characterization technique. The deposition mechanism and Fe incorporation are studied by cyclic voltammetry. The structural, surface morphological and optical properties of the deposited CdSe and Fe:CdSe thin films have been studied by X-ray diffraction, scanning electron microscopy (SEM) and optical absorption techniques respectively. The PEC study shows that Fe:CdSe thin films are more photosensitive than that of undoped CdSe thin films. The X-ray diffraction analysis shows that the films are polycrystalline with hexagonal crystal structure. SEM studies reveal that the films with uniformly distributed grains over the entire surface of the substrate. The complete surface morphology has been changed after doping. Optical absorption study shows the presence of direct transition and a considerable decrease in bandgap, E g from 1.95 to 1.65 eV

Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

Energy Technology Data Exchange (ETDEWEB)

Kaur, Maninder; Dai, Qilin; Bowden, Mark; Engelhard, Mark; Wu, Yaqiao; Tang, Jinke; Qiang, You

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 giant 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 (ii) Fe

Comparative assessment of the efficiency of Fe-doped TiO2 prepared by two doping methods and photocatalytic degradation of phenol in domestic water suspensions

Directory of Open Access Journals (Sweden)

Mst. Shamsun Nahar, Kiyoshi Hasegawa, Shigehiro Kagaya and Shigeyasu Kuroda

2007-01-01

Full Text Available Fe-doped TiO2 particles responding to visible light were synthesized by impregnation and calcination method using TiO2 particle and Ti element, respectively. The optical and the chemical properties were characterized by measuring the X-ray diffraction (XRD and UV–visible spectroscopy. The onset of absorption shifted to longer wavelengths on doping TiO2 by the calcination process, which showed a better response as compared to the impregnation method. The photocatalytic reactivity was evaluated by the degradation of phenol with impregnated Fe-doped (0.5% w/w in Fe and calcined Fe-doped (FexTi1−xO2, x=0.005 (Fe/Ti molar ratio TiO2 separately in distilled and tap water. The characterization results have confirmed the advanced possibility of correlation between photoactivity and the special property of sulfur-containing calcined Fe-doped TiO2. In case of the coagulation of the undoped A-I and the Fe-doped B-I, the photoactivity showed a decrease due to the presence of natural electrolytes and due to the high pH of tap water, whereas in the case of the coagulation of calcined Fe-doped TiO2 prepared from sulfides (FexTiS2, the photoactivity showed an increase. In this study, highest catalytic activity was found to be strongly dependent both on catalyst structure and on the type of water used.

Photocatalytic degradation of Rhodamine B dye using Fe doped TiO2 nanocomposites

Science.gov (United States)

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.

The effect of ultraviolet irradiation on the photothermal, photoluminescence and photoluminescence excitation spectra of Mn-doped ZnS nanoparticles

International Nuclear Information System (INIS)

Briones Cruz, Almira; Shen Qing; Toyoda, Taro

2006-01-01

Research involving Mn doped nanocrystalline ZnS (ZnS:Mn) has grown in recent years, partly due to the high quantum luminescence efficiencies that have been reported. We measured the photoacoustic (PA), the photoluminescence (PL) and the photoluminescence excitation (PLE) spectra of surface-passivated and unpassivated ZnS:Mn. The effects of UV irradiation on the PL and PLE spectra were also studied. A decrease in the PA intensity after UV exposure was observed for the ZnS:Mn, indicating a decrease in the nonradiative relaxation probability. The observed increase in PL intensity indicates a corresponding increase in the radiative transition probability. For the PLE spectra, possible aggregation of the primary particles could have resulted in the lower measured energy of the PLE peak compared to the value predicted by the effective mass approximation theory

Photoelectrochemical Performance Observed in Mn-Doped BiFeO3 Heterostructured Thin Films

Directory of Open Access Journals (Sweden)

Hao-Min Xu

2016-11-01

Full Text Available Pure BiFeO3 and heterostructured BiFeO3/BiFe0.95Mn0.05O3 (5% Mn-doped BiFeO3 thin films have been prepared by a chemical deposition method. The band structures and photosensitive properties of these films have been investigated elaborately. Pure BiFeO3 films showed stable and strong response to photo illumination (open circuit potential kept −0.18 V, short circuit photocurrent density was −0.023 mA·cm−2. By Mn doping, the energy band positions shifted, resulting in a smaller band gap of BiFe0.95Mn0.05O3 layer and an internal field being built in the BiFeO3/BiFe0.95Mn0.05O3 interface. BiFeO3/BiFe0.95Mn0.05O3 and BiFe0.95Mn0.05O3 thin films demonstrated poor photo activity compared with pure BiFeO3 films, which can be explained by the fact that Mn doping brought in a large amount of defects in the BiFe0.95Mn0.05O3 layers, causing higher carrier combination and correspondingly suppressing the photo response, and this negative influence was more considerable than the positive effects provided by the band modulation.

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

Science.gov (United States)

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 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.

XRD analysis of undoped and Fe doped TiO2 nanoparticles by Williamson Hall method

International Nuclear Information System (INIS)

Bharti, Bandna; Barman, P. B.; Kumar, Rajesh

2015-01-01

Undoped and Fe doped titanium dioxide (TiO 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 2 and Fe doped TiO 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 2 with Fe doping was observed. The anatase phase of Fe-doped TiO 2 nanoparticles was also confirmed by X-ray diffraction. By using Williamson-Hall method, lattice strain and crystallite size were also calculated. Williamson–Hall plot indicates the presence of compressive strain for TiO 2 and tensile strain for Fe-TiO 2 nanoparticles annealed at 500°C

High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

International Nuclear Information System (INIS)

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

2016-01-01

We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga_1_−_x,Fe_x)Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

Superconducting Gap Symmetry of LaFeP(O,F Observed by Impurity Doping Effect

Directory of Open Access Journals (Sweden)

Shigeki Miyasaka

2016-08-01

Full Text Available We have investigated Mn, Co and Ni substitution effects on polycrystalline samples of LaFePO0.95F0.05 by resistivity and magnetoresistance measurements. In LaFe1-xMxPO0.95F0.05 (M = Mn, Co and Ni, the superconducting transition temperature (Tc monotonously decreases with increasing the impurity doping level of x. There is a clear difference of Tc suppression rates among Mn, Co and Ni doping cases, and the decreasing rate of Tc by Mn doping as a magnetic impurity is larger than those by the nonmagnetic doping impurities (Co/Ni. This result indicates that in LaFePO0.95F0.05, Tc is rapidly suppressed by the pair-breaking effect of magnetic impurities, and the pairing symmetry is a full-gapped s-wave. In the nonmagnetic impurity-doped systems, the residual resistivity in the normal state has nearly the same value when Tc becomes zero. The residual resistivity value is almost consistent with the universal value of sheet resistance for two-dimensional superconductors, suggesting that Tc is suppressed by electron localization in Co/Ni-doped LaFePO0.95F0.05.

Magnetostriction of the polycrystalline Fe{sub 80}Al{sub 20} alloy doped with boron

Energy Technology Data Exchange (ETDEWEB)

Bormio-Nunes, Cristina, E-mail: cristina@demar.eel.usp.br [Escola de Engenharia de Lorena, Dep. de Eng. de Materiais, Universidade de S.Paulo, Lorena, SP (Brazil); Teodoro dos Santos, Claudio; Botani de Souza Dias, Mateus [Escola de Engenharia de Lorena, Dep. de Eng. de Materiais, Universidade de S.Paulo, Lorena, SP (Brazil); Doerr, Mathias; Granovsky, Sergey; Loewenhaupt, Michael [Institut fuer Festkoerperphysik, TU Dresden, D-01062 Dresden (Germany)

2012-10-25

Highlights: Black-Right-Pointing-Pointer Fe{sub 80}Al{sub 20} polycrystalline alloy magnetostriction 40 ppm increased to 80 ppm due to 2% of B doping. Black-Right-Pointing-Pointer B stabilizes {alpha}-FeAl phase and a coexistence of {alpha}-FeAl + Fe{sub 3}Al improves magnetostriction. Black-Right-Pointing-Pointer Presence of Fe{sub 2}B phase causes domain rearrangement revealed by the decrease of the volume magnetostriction. - Abstract: The doping of Fe{sub 80}Al{sub 20} polycrystalline alloy with 2% of boron increased the total magnetostriction twofold compared to a sample without boron. A value close to 80 ppm was achieved at 300 K. The microstructures of the boron-doped alloys show a dendritically solidified matrix with interdendritic {alpha}-FeAl and/or Fe{sub 3}Al and Fe{sub 2}B eutectic between the grains. The XRD analysis reveals an increase in the volume fraction of {alpha}-FeAl and a correspondent decrease of the Fe{sub 3}Al phase volume fraction as the boron content increases. The increase of the volume fraction of this tetragonal Fe{sub 2}B phase in the samples doped with boron causes the decrease of the strong volume magnetostriction that was observed in the alloy without boron. There is some evidence that the improvement of the magnetostriction magnitude due to the addition of boron to the Fe{sub 80}Al{sub 20} alloy could reach the maximal magnetostriction if the 1:1 optimal ratio of the volume fractions of the {alpha}-FeAl and Fe{sub 3}Al phases could be reached.

Mn doping effect on structure and magnetism of epitaxial (FePt)1-xMnx films

International Nuclear Information System (INIS)

Huang, J.C.A.; Chang, Y.C.; Yu, C.C.; Yao, Y.D.; Hu, Y.M.; Fu, C.M.

2003-01-01

We study the structure and perpendicular magnetism of molecular beam epitaxy grown (FePt) 1-x Mn x films with doping concentration x=0, 1%, 2%, 3%, 4%, and 5%. The (FePt) 1-x Mn x films were made by multilayers growth of [Fe/Pt/Mn]xN at 100 deg. C and annealed at 600 deg. C. X-ray diffraction scans indicate that relatively better L1 0 ordered structure for low Mn doping (x 3%. The perpendicular magnetic anisotropy effect of the (FePt) 1-x Mn x films tends to decrease with the increase of Mn doping for x>1%. However, the x=1% doped films possess slightly better perpendicular magnetic anisotropy effect than the zero doped film. The perpendicular magnetic anisotropy constant are of about 1.3x10 7 and 1.6x10 7 erg/cm 3 for x=0% and x=1%, respectively

Synergistic effects of F and Fe in co-doped TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yufei, E-mail: zhang.yu.fei@stu.xjtu.edu.cn; Shen, Huiyuan; Liu, Yanhua, E-mail: yhliu@mail.xjtu.edu.cn [Xi’an Jiaotong University, Department of Building Environment and Services Engineering, School of Human Settlements and Civil Engineering (China)

2016-03-15

TiO{sub 2} photocatalysts co-doped with F and Fe were synthesized by a sol–gel method. Synergistic effects of F and Fe in the co-doped TiO{sub 2} were verified by NH{sub 3} decomposition, X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and ultraviolet–visible (UV–Vis) absorption spectroscopy, and was analyzed by the simulation based on the density functional theory (DFT). The results from NH{sub 3} decomposition confirmed that the cooperation of F and Fe broadened the optical response of TiO{sub 2} to visible light region and also enhanced the photocatalytic activity of TiO{sub 2} under ultraviolet light. XRD patterns, SEM and HRTEM images showed that the co-doped samples were nanometric anatase with an average particle size of 25 nm. Co-doping with F and Fe inhibited the grain growth of TiO{sub 2} from anatase to rutile and resulted in a larger lattice defect. XPS analysis exhibited that the doped F and Fe atoms were into the TiO{sub 2} lattice. UV–Vis absorption spectra showed that its optical absorption edge was moved up to approximately 617 nm and its ultraviolet absorption was also enhanced. The DFT results indicated that the cooperation of Fe 3d and O 2p orbits narrowed the band gap of TiO{sub 2} and F 2p orbit widened the upper valence bands. The synergistic electron density around F and Fe in co-doped TiO{sub 2} was capable to enhance the photo-chemical stability of TiO{sub 2}.

Structural, magnetic, and electrical properties of Gd-doped BiFeO3 nanoparticles with reduced particle size

International Nuclear Information System (INIS)

Lotey, Gurmeet Singh; Verma, N. K.

2012-01-01

Pure and Gd-doped BiFeO 3 nanoparticles have been synthesized by sol–gel method. The significant effects of size and Gd-doping on structural, electrical, and magnetic properties have been investigated. X-ray diffraction study reveals that the pure BiFeO 3 nanoparticles possess rhombohedral structure, but with 10% Gd-doping complete structural transformation from rhombohedral to orthorhombic has been observed. The particle size of pure and Gd-doped BiFeO 3 nanoparticles, calculated using Transmission electron microscopy, has been found to be in the range 25–15 nm. Pure and Gd-doped BiFeO 3 nanoparticles show ferromagnetic character, and the magnetization increases with decrease in particle size and increase in doping concentration. Scanning electron microscopy study reveals that grain size decreases with increase in Gd concentration. Well-saturated polarization versus electric field loop is observed for the doped samples. Leakage current density decreases by four orders by doping Gd in BiFeO 3 . The incorporation of Gd in BiFeO 3 enhances spin as well as electric polarization at room temperature. The possible origin of enhancement in these properties has been explained on the basis of dopant and its concentration, phase purity, small particle, and grain size.

A facile and fast approach for the synthesis of doped nanoparticles using a microfluidic device

International Nuclear Information System (INIS)

Singh, Akanksha; Limaye, Mukta; Singh, Shashi; Kulkarni, Sulabha; Lalla, Niranjan Prasad; Malek, Chantal Khan

2008-01-01

The microfluidic approach emerges as a new and promising technology for the synthesis of nanomaterials. A microreactor allows a variety of reaction conditions to be quickly scanned without consuming large amounts of raw material. In this study, we investigated the synthesis of water soluble 1-thioglycerol-capped Mn-doped ZnS nanocrystalline semiconductor nanoparticles (TG-capped ZnS:Mn) via a microfluidic approach. This is the first report for the successful doping of Mn in a ZnS semiconductor at room temperature as well as at 80 deg. C using a microreactor. Transmission electron microscopy and x-ray diffraction analysis show that the average particle size of Mn-doped ZnS nanoparticles is ∼3.0 nm with a zinc-blende structure. Photoluminescence, x-ray photoelectron spectroscopy, atomic absorption spectroscopy and electron paramagnetic resonance studies were carried out to confirm that the Mn 2+ dopants are present in the ZnS nanoparticles

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

Science.gov (United States)

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

Crystal growth and properties of PbI2 doped with Fe and Ni

International Nuclear Information System (INIS)

Rybak, O.V.; Lun', Yu.O.; Bordun, I.M.; Omelyan, M.F.

2005-01-01

A procedure is described for doping PbI 2 monocrystals with Fe and Ni during vapor-phase growth in a closed system in the presence of excess iodine. The rate of mass transfer in the system and the doping level of the crystals are shown to be governed by the dopant content in the source material and the source temperature. The effect of Fe and Ni doping on the low-temperature (5 K) exciton photoluminescence spectrum of PbI 2 is discussed [ru

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

Science.gov (United States)

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.

High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

Energy Technology Data Exchange (ETDEWEB)

Tu, Nguyen Thanh [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics, Ho Chi Minh City University of Pedagogy, 280, An Duong Vuong Street, District 5, Ho Chi Minh City 748242 (Viet Nam); Hai, Pham Nam [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro, Tokyo 152-0033 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Anh, Le Duc [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Tanaka, Masaaki [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

2016-05-09

We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga{sub 1−x},Fe{sub x})Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

The Formation of Lithiated Ti-Doped α-Fe2O3 Nanocrystalline Particles by Mechanical Milling of Ti-Doped Lithium Spinel Ferrite

International Nuclear Information System (INIS)

Widatallah, H. M.; Gismelseed, A. M.; Bouziane, K.; Berry, F. J.; Al Rawas, A. D.; Al-Omari, I. A.; Yousif, A. A.; Elzain, M. E.

2004-01-01

The milling of spinel-related Ti-doped Li 0.5 Fe 2.5 O 4 for different times is studied with XRD, Moessbauer spectroscopy and magnetic measurements. Milling converts the material to Li-Ti-doped α-Fe 2 O 3 nanocrystalline particles via an intermediate γ-LiFeO 2 -related phase. The role played by the dopant Ti-ion in the process is emphasized.

Fe-doping effect on the Bi{sub 3}Ni superconductor microstructure

Energy Technology Data Exchange (ETDEWEB)

Gonsalves, Silvio Henrique; Monteiro, Joao Frederico Haas Leandro; Leal, Adriane Consuelo da Silva; Andrade, Andre Vitor Chaves de; Souza, Gelson Biscaia de; Siqueira, Ezequiel Costa; Serbena, Francisco Carlos; Jurelo, Alcione Roberto, E-mail: arjurelo@uepg.br [Universidade Estadual de Ponta Grossa (UEPG), PR (Brazil). Departamento de Fisica

2017-05-15

The substitution effects of Fe ion on the structure of the intermetallic Bi{sub 3}Ni{sub 1-x}Fe{sub x} (0 ≤ x ≤ 0.10) superconductor were studied. The morphology of samples consists of an inhomogeneous laminar slab-like microstructure. The main phase corresponds to Bi{sub 3}Ni{sub 1-x}Fe{sub x} with an orthorhombic structure (Pnma), but with very small quantities of impurities of BiNi and Bi as revealed by X-ray diffraction. SEM and AFM reveal that the Bi3{sub N}i1{sub -x}Fe{sub x} phase consists of two regions. One region is Bi richer and Ni and Fe poorer than the other region.Raman spectroscopy revealed two phonon modes at room temperature. No significant changes were observed in the spectra with Fe doping and in different regions of the Bi{sub 3}Ni{sub 1-x}Fe{sub x} phase. Superconductivity is observed below a transition temperature T{sub C} = 4 K and regardless of iron doping. (author)

Coercivity enhancement in Nd-Fe-B sintered permanent magnet by Dy nanoparticles doping

Energy Technology Data Exchange (ETDEWEB)

Liu, W.Q., E-mail: liuweiqiang77@hotmail.co [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Sun, H. [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Yi, X.F. [Anhui Earth-panda Advance Magnetic Material Co., Ltd., Anhui 231500 (China); Liu, X.C.; Zhang, D.T. [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Yue, M., E-mail: yueming@bjut.edu.c [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Zhang, J.X. [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China)

2010-07-02

Nd-Fe-B permanent magnets with a small amount of Dysprosium (Dy) nanoparticles doping were prepared by conventional sintered method, and the microstructure and magnetic properties of the magnets were studied. Investigation shows that the coercivity rises gradually, while the remanence decreases simultaneously with increased Dy doping amount. As a result, the magnet with 1.5 wt.% Dy exhibits optimal magnetic properties. Further investigation presumed that Dy is enriched as (Nd, Dy){sub 2}Fe{sub 14}B phase in the surface region of the Nd{sub 2}Fe{sub 14}B matrix grains indicated by the enhancement of the magneto-crystalline anisotropy field of the Nd{sub 2}Fe{sub 14}B phase. As a result, the magnet doped with a small amount of Dy nanoparticles possesses remarkably enhanced coercivity without sacrificing its magnetization noticeably.

Hole doping by pressure on the 1111 pnictides CaFeAsF and SrFeAsF

International Nuclear Information System (INIS)

Freitas, Daniele C; Sow, Amadou; Núñez-Regueiro, Manuel; Garbarino, Gastón; Weht, Ruben; Zhu, Xiyu; Han, Fei; Cheng, Peng; Ju, Jing; Hu Wen, Hai

2014-01-01

We determine the pressure phase diagram of the 1111 compounds CaFeAsF and SrFeAsF, up to 20 GPa and down to 4 K by electrical resistivity measurements and the change of structure up to 40 GPa at room temperature. The antiferromagnetic transition temperature, as determined by the derivative peak, shows a minimum at ∼5 GPa (10 GPa) for the Ca (Sr) compound. For CaFeAsF, superconductivity appears at this minimum, coincident with the development of a previously reported monoclinic phase. For SrFeAsF, where the orthorhombic and the monoclinic phase were reported to coexist, superconductivity exists above P≥1 GPa. Both phase diagrams can be scaled by a shift of ∼10 GPa pressure at which the volume of SrFeAsF and that of CaFeAsF at ambient pressure coincide. The difference of our phase diagram with that of electron-doped 1111 samples is accounted for by hole doping under pressure, which we verified through electron band structure calculations. (papers)

Enhanced multiferroic properties in scandium doped Bi2Fe4O9

International Nuclear Information System (INIS)

Dutta, Dimple P.; Tyagi, A. K.

2013-01-01

Undoped and Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles have been synthesized using sonochemical method. The phase purity of the samples was checked using powder X-rau diffraction technique. EDS analysis was done to confirm the extent of Sc 3+ doping in the samples. The size and morphology of the nanoparticles have been analyzed using transmission electron microscopy (TEM). The Bi 2 Fe 4 O 9 nanoparticles show a weak ferromagnetic behavior at room temperature, which is quite different from the linear M–H relationship reported for bulk Bi 2 Fe 4 O 9 . This is mainly attributed to the uncompensated moments at the disordered particle surface resulting from the reduced coordination of the surface spins, arising due to lattice strain or oxygen deficiency. Addition of Sc 3+ dopant in varying concentrations in these Bi 2 Fe 4 O 9 nanoparticles, improves their magnetic as well as ferroelectric properties. The leakage current is considerably reduced and electric polarization increases significantly in case of Bi 2 Fe 4(1-x) Sc x O 9 (x = 0.1) nanoparticles. Hence it can be inferred that Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles shows promise as good multiferroic materials.

Ferromagnetism in Fe-doped transition metal nitrides

Science.gov (United States)

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.

Different doping effect on physical properties of non-magnetic Pt and Ga in CaFe4As3

International Nuclear Information System (INIS)

Wu, Dapeng

2015-01-01

Highlights: • CaFe 3.64 Pt 0.36 As 3 and CaFe 3.64 Ga 0.36 As 3 were grown using Sn flux method. • The two magnetic transition temperatures of CaFe 4 As 3 remain untouched upon Pt or Ga doping. • The effects of Pt and Ga doping give a different modification of physical properties and electronic structure in CaFe 4 As 3 . • The magnetic structure of CaFe 4 As 3 is insusceptible to non-magnetic dopants. - Abstract: We have successfully doped Pt and Ga into CaFe 4 As 3 and investigated the structure and physical properties of CaFe 3.64 X 0.36 As 3 (X = Pt, Ga). Two magnetic transition temperatures remain unchanged upon Pt or Ga doping, as confirmed by specific heat, electrical resistivity and magnetic susceptibility. The electrical resistivity of CaFe 4 As 3 is reduced by approximately half with Pt dopant but increases by an order of magnitude with Ga doping, consistent with the changes in their Hall coefficients, which indicates the effects of Pt and Ga doping give us a different modification on physical properties and electronic structure in CaFe 4 As 3

Study the Polyol Process of Preparing the ru Doped FePt Nanoparticles

Science.gov (United States)

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.

Synthesis and pressure effects on the La doped CaFe{sub 2}As{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Shin, Soo Hyun; Park, Tuson [Dept. of physics, Sungkyunkwan University, Suwon (Korea, Republic of); Shang, T.; Yuan, H. Q. [Dept. of physics, Zhejiang University, Hangzhou (China)

2014-09-15

We have synthesized La doped CaFe2As{sub 2} single crystals with Sn flux in an evacuated quartz ampule. Doping and pressure effects on the magnetic and superconducting properties of the under-doped Ca{sub 1-x}La{sub x}Fe{sub 2}As{sub 2} (x=0.08, 0.1) were studied by measuring electrical resistivity under quasi-hydrostatic pressure up to 21 kbar. Magnetic transition temperatures for all studied concentrations were sharply suppressed with slight amplitude of pressure, less than 3 kbar, while superconducting transition temperatures were robust against pressure. In this communication, we report temperature-pressure phase diagram for the La-doped CaFe{sub 2}As{sub 2} single crystals.

Preparation of Nd-doped BiFeO{sub 3} films and their electrical properties

Energy Technology Data Exchange (ETDEWEB)

Cheng Meng [Key Laboratory of Auxiliary Chemistry and Technology for Chemical Industry, Ministry of Education of China, Shaanxi University of Science and Technology, Weiyang District, Xi' an 710021 (China); Tan Guoqiang, E-mail: tan3114@163.com [Key Laboratory of Auxiliary Chemistry and Technology for Chemical Industry, Ministry of Education of China, Shaanxi University of Science and Technology, Weiyang District, Xi' an 710021 (China); Xue Xu; Xia Ao; Ren Huijun [Key Laboratory of Auxiliary Chemistry and Technology for Chemical Industry, Ministry of Education of China, Shaanxi University of Science and Technology, Weiyang District, Xi' an 710021 (China)

2012-09-01

The Nd-doped BiFeO{sub 3} thin films were prepared on SnO{sub 2}(FTO) substrates spin-coated by the sol-gel method using Nd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O, Fe(NO{sub 3}){sub 3}{center_dot}9H{sub 2}O and Bi(NO{sub 3}){sub 3}{center_dot}5H{sub 2}O as raw materials. The microstructure and electric properties of the BiFeO{sub 3} thin films were characterized and tested. The results indicate that the diffraction peak of the Nd-doped BiFeO{sub 3} films is shifted towards right as the doping amounts are increased. The structure is transformed from the rhombohedral to pseudotetragonal phase. The crystal grain is changed from an elliptical to irregular polyhedron. Structure transition occurring in the Bi{sub 0.85}Nd{sub 0.15}FeO{sub 3} films gives rise to the largest Pr of 64 {mu}C/cm{sup 2}. The leakage conductance of the Nd doped thin films is reduced. The dielectric constant and dielectric loss of Bi{sub 0.85}Nd{sub 0.15}FeO{sub 3} thin film at 10 kHz are 190 and 0.017 respectively.

Half-metallic ferromagnetism in Fe-doped Zn3P2 from first-principles calculations

International Nuclear Information System (INIS)

Jaiganesh, G.; Jaya, S. Mathi

2014-01-01

Using the first-principles calculations based on the density functional theory, we have studied the magnetism and electronic structure of Fe-doped Zinc Phosphide (Zn 3 P 2 ). Our results show that the half-metallic ground state and ferromagnetic stability for the small Fe concentrations considered in our study. The stability of the doped material has been studied by calculating the heat of formation and analyzing the minimum total energies in nonmagnetic and ferromagnetic phases. A large value of the magnetic moment is obtained from our calculations and our calculation suggests that the Fe-doped Zn 3 P 2 may be a useful material in semiconductor spintronics

Structural, optical, and magnetic properties of Mn and Fe-doped Co3O4 nanoparticles

Directory of Open Access Journals (Sweden)

C. Stella

2015-08-01

Full Text Available Mn and Fe-doped Co3O4 nanoparticles were prepared by a simple precipitation method. The synthesized particles were characterized by X-ray diffraction (XRD, scanning electron microscope (SEM, transmission electron microscope (TEM, UV-Vis absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR, Raman spectroscopy, and vibrating sample magnetometer (VSM techniques. XRD analysis showed the cubic structure of Co3O4. SEM and TEM images confirmed the formation of interconnected nanoparticles. Mn and Fe-doped Co3O4 showed broad absorption in the visible region compared to undoped sample and the band gap values are red shifted. Five Raman active modes were observed from the Raman spectra. FTIR spectra confirmed the spinel structure of Co3O4 and the doping of Mn and Fe shifts the vibrational modes to lower wave number region. The magnetic measurements confirmed that Fe-doped Co3O4 shows a little ferromagnetic behavior compared to undoped and Mn-doped Co3O4, which could be related to the uncompensated surface spins and the finite size effects.

Structural, optical, and magnetic properties of Fe doped In{sub 2}O{sub 3} powders

Energy Technology Data Exchange (ETDEWEB)

Krishna, N. Sai [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632 014, Tamilnadu (India); Kaleemulla, S., E-mail: skaleemulla@gmail.com [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632 014, Tamilnadu (India); Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamilnadu (India); UGC-DAE-CSR, Kalpakkam Node, Kokilamedu 603 104, Tamilnadu (India); Rao, N. Madhusudhana; Krishnamoorthi, C.; Kuppan, M.; Begam, M. Rigana [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632 014, Tamilnadu (India); Reddy, D. Sreekantha [Department of Physics and Sungkyunkwan Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Omkaram, I. [Department of Electronics and Radio Engineering, Kyung Hee University, Yongin-si, Gyeonggi-do 446-701 (Korea, Republic of)

2015-01-15

Highlights: • Synthesis of Fe doped In{sub 2}O{sub 3} powders using a solid state reaction. • Characterization of the samples using XRD, UV–vis-NIR, FT-IR, and VSM. • All Fe doped In{sub 2}O{sub 3} powders exhibited the cubic structure of In{sub 2}O{sub 3}. • All the Fe doped In{sub 2}O{sub 3} samples exhibited room temperature ferromagnetism. - Abstract: Iron doped indium oxide dilute magnetic semiconductor (In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} (x = 0.00, 0.03, 0.05, and 0.07) powders were synthesized by standard solid state reaction method followed by vacuum annealing. The effect of Fe concentration on structural, optical, and magnetic properties of the (In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} powders have been systematically studied. X-ray diffraction patterns confirmed the polycrystalline cubic structure of all the samples. An optical band gap increases from 3.12 eV to 3.16 eV while Fe concentration varying from 0.03 to 0.07. Magnetic studies reveal that virgin/undoped In{sub 2}O{sub 3} is diamagnetic. However, all the Fe-doped In{sub 2}O{sub 3} samples are ferromagnetic. The saturation magnetization (M{sub s}) of ferromagnetic (In{sub 1−x}Fe{sub x}){sub 2}O{sub 3} (x = 0.03, 0.05, and 0.07) samples increases from 11.56 memu/g to 148.64 memu/g with x = 0.03–0.07. The observed ferromagnetism in these samples was attributed to magnetic nature of the dopant (Fe) as well as defects created in the samples during vacuum annealing.

One-Step Thermolysis Synthesis of Divalent Transition Metal Ions Monodoped and Tridoped CdS and ZnS Luminescent Nanomaterials

Directory of Open Access Journals (Sweden)

S. E. Saeed

2014-01-01

Full Text Available Mn2+, Co2+, or Ni2+ monodoped CdS (or ZnS and Mn2+-Co2+-Ni2+ tridoped CdS (or ZnS have been successfully synthesized by novel one-step thermolysis method using thiourea as a sulphur source. The synthesized nanomaterials were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, and scanning electron microscopy (SEM. It is found that the average diameter and morphology of the synthesized samples varied with the nature of dopant ion. The successful doping of Mn2+-Co2+-Ni2+ tridoped ions into the host CdS (or ZnS was proved by the EDX spectra. The luminescence of CdS is only enhanced when monodoped with Mn2+ whereas it is enhanced when ZnS is either monodoped with Mn2+, Co2+, or Ni2+ or tridoped with Mn2+-Co2+-Ni2+. The synthesized samples could therefore offer opportunities for further fundamental research and technological applications.

Pure and Fe-Doped Mesoporous Titania Catalyse the Oxidation of Acid Orange 7 by H2O2 under Different Illumination Conditions: Fe Doping Improves Photocatalytic Activity under Simulated Solar Light

Directory of Open Access Journals (Sweden)

Francesca S. Freyria

2017-07-01

Full Text Available A sample of mesoporous TiO2 (MT, specific surface area = 150 m2·g−1 and two samples of MT containing 2.5 wt.% Fe were prepared by either direct synthesis doping (Fe2.5-MTd or impregnation (Fe2.5-MTi. Commercial TiO2 (Degussa P25, specific surface area = 56 m2 g−1 was used both as a benchmark and as a support for impregnation with either 0.8 or 2.5 wt.% Fe (Fe0.80-IT and Fe2.5-IT. The powders were characterized by X-ray diffraction, N2 isotherms at −196 °C, Energy Dispersive X-ray (EDX Spectroscopy, X-ray Photoelectron Spectroscopy (XPS, Diffuse Reflectance (DR ultra-violet (UV-Vis and Mössbauer spectroscopies. Degradation of Acid Orange 7 (AO7 by H2O2 was the test reaction: effects of dark-conditions versus both UV and simulated solar light irradiation were considered. In dark conditions, AO7 conversion was higher with MT than with Degussa P25, whereas Fe-containing samples were active in a (slow Fenton-like reaction. Under UV light, MT was as active as Degussa P25, and Fe doping enhanced the photocatalytic activity of Fe2.5-MTd; Fe-impregnated samples were also active, likely due to the occurrence of a photo-Fenton process. Interestingly, the Fe2.5-MTd sample showed the best performance under solar light, confirming the positive effect of Fe doping by direct synthesis with respect to impregnation.

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

Science.gov (United States)

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

Science.gov (United States)

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

Science.gov (United States)

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.

Tailoring of magnetic properties of ultrathin epitaxial Fe films by Dy doping

Directory of Open Access Journals (Sweden)

A. A. Baker

2015-07-01

Full Text Available We report on the controlled modification of relaxation parameters and magnetic moments of epitaxial Fe thin films through Dy doping. Ferromagnetic resonance measurements show that an increase of Dy doping from 0.1% to 5% gives a tripling in Gilbert damping, and more importantly a strongly enhanced anisotropic damping that can be qualitatively understood through the slow-relaxing impurity model. X-ray magnetic circular dichroism measurements show a pronounced suppression of the orbital moment of the Fe with Dy doping, leading to an almost threefold drop in the orbital to spin moment ratio, ml/ms. Doping with Dy can therefore be used to control both dynamic and static properties of thin ferromagnetic films for improved performance in spintronics device applications, mediated through the antiferromagnetic interaction of the 4f and 3d states.

Tailoring of magnetic properties of ultrathin epitaxial Fe films by Dy doping

Energy Technology Data Exchange (ETDEWEB)

Baker, A. A. [Department of Physics, Clarendon Laboratory, University of Oxford, Oxford, OX1 3PU (United Kingdom); Magnetic Spectroscopy Group, Diamond Light Source, Didcot, OX11 0DE (United Kingdom); Figueroa, A. I.; Laan, G. van der [Magnetic Spectroscopy Group, Diamond Light Source, Didcot, OX11 0DE (United Kingdom); Hesjedal, T. [Department of Physics, Clarendon Laboratory, University of Oxford, Oxford, OX1 3PU (United Kingdom)

2015-07-15

We report on the controlled modification of relaxation parameters and magnetic moments of epitaxial Fe thin films through Dy doping. Ferromagnetic resonance measurements show that an increase of Dy doping from 0.1% to 5% gives a tripling in Gilbert damping, and more importantly a strongly enhanced anisotropic damping that can be qualitatively understood through the slow-relaxing impurity model. X-ray magnetic circular dichroism measurements show a pronounced suppression of the orbital moment of the Fe with Dy doping, leading to an almost threefold drop in the orbital to spin moment ratio, m{sub l}/m{sub s}. Doping with Dy can therefore be used to control both dynamic and static properties of thin ferromagnetic films for improved performance in spintronics device applications, mediated through the antiferromagnetic interaction of the 4f and 3d states.

Dynamic magnetization of NiZn ferrite doped FeSiAl thin films fabricated by oblique sputtering

Energy Technology Data Exchange (ETDEWEB)

Zhong, Xiaoxi, E-mail: xiaoxi.zhong@gmail.com [Sichuan Province Key Laboratory of Information Materials and Devices Application, Chengdu University of Information Technology, Chengdu 610225 (China); Phuoc, Nguyen N. [Temasek Laboratories, National University of Singapore, 5A Engineering Drive 2, Singapore 117411 (Singapore); Soh, Wee Tee [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Ong, C.K. [Temasek Laboratories, National University of Singapore, 5A Engineering Drive 2, Singapore 117411 (Singapore); Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Li, Lezhong [Sichuan Province Key Laboratory of Information Materials and Devices Application, Chengdu University of Information Technology, Chengdu 610225 (China)

2017-06-15

Highlights: • We prepared NiZn ferrite doped FeSiAl-based thin films using oblique deposition technique. • The magnetic properties of FeSiAl-based thin films were systematically studied. • Two ferromagnetic resonance peaks were observed in the permeability spectra. • The thermal stability of microwave properties of FeSiAl-based films was studied. • The thermal stability of properties we studied was relatively good. - Abstract: In this study, we comprehensively investigate the dynamic magnetic properties of FeSiAl-NiZnFeO thin films prepared by the oblique deposition method via a shorted microstrip perturbation technique. For the films with higher oblique angle and NiZn ferrite doping amount, there are two ferromagnetic resonance peaks observed in the permeability spectra, and both of the two peaks originate from FeSiAl. Furthermore, the magnetic anisotropy field H{sub K} of the ferromagnetic resonance peak at higher frequency is enhanced with increasing doping amount, which is interpreted in terms of the contribution of reinforced stress-induced anisotropy and shape anisotropy brought about by doping elements and oblique sputtering method. In addition, the thermal stability of the ferromagnetic resonance frequency f{sub FMR} of FeSiAl-NiZnFeO films with oblique angles of 35° and 45° with respect to temperature ranging from 300 K to 420 K is deteriorated with increasing ferrite doping amount, which is mainly ascribed to the influence of pair-ordering anisotropy and/or the reduction of the FeSiAl grain size.

Characterization of Fe -doped silver phosphate glasses

Indian Academy of Sciences (India)

... to their several spe- cial properties such as large thermal expansion coefficients, ... increase the conductivity of these glasses is to increase the modifier or dopant ... phosphate glasses were measured by the a.c. impedance spectroscopic .... and Fe2O3-doped Ag2O–P2O5 glasses were determined from. DSC curves and ...

The electronic structures and ferromagnetism of Fe-doped GaSb: The first-principle calculation study

Science.gov (United States)

Lin, Xue-ling; Niu, Cao-ping; Pan, Feng-chun; Chen, Huan-ming; Wang, Xu-ming

2017-09-01

The electronic structures and the magnetic properties of Fe doped GaSb have been investigated by the first-principles calculation based on the framework of the generalized gradient approximation (GGA) and GGA+U schemes. The calculated results indicated that Fe atoms tend to form the anti-ferromagnetic (AFM) coupling with the nearest-neighbor positions preferentially. Compared with the anti-ferromagnetic coupling, the ferromagnetic interactions occurred at the second nearest-neighbor and third nearest-neighbor sites have a bigger superiority energetically. The effect of strong electron correlation at Fe-d orbit taking on the magnetic properties predicted by GGA+U approach demonstrated that the ferromagnetic (FM) coupling between the Fe ions is even stronger in consideration of the strong electron correlation effect. The ferromagnetism in Fe doped GaSb system predicted by our investigation implied that the doping of Fe into GaSb can be as a vital routine for manufacturing the FM semiconductors with higher Curie temperature.

Enhanced magnetic and ferroelectric properties in scandium doped nano Bi2Fe4O9

International Nuclear Information System (INIS)

Dutta, Dimple P.; Sudakar, C.; Mocherla, Pavana S.V.; Mandal, Balaji P.; Jayakumar, Onnatu D.; Tyagi, Avesh K.

2012-01-01

In this study we report the synthesis of undoped and Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles using sonochemical technique. X-ray diffraction reveals that all samples are single phase with no impurities detected. EDS analysis was done to confirm the extent of Sc 3+ doping in the samples. The size and morphology of the nanoparticles have been analyzed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The Bi 2 Fe 4 O 9 nanoparticles show a weak ferromagnetic behavior at room temperature, which is quite different from the linear M–H relationship reported for bulk Bi 2 Fe 4 O 9 . A magnetization of 0.144 μB/f.u. is obtained at 300 K, which is mainly attributed to the uncompensated moments at the disordered particle surface resulting from the reduced coordination of the surface spins, arising due to lattice strain or oxygen deficiency. Addition of Sc 3+ dopant in varying concentrations in these Bi 2 Fe 4 O 9 nanoparticles, improves their magnetic as well as ferroelectric properties. The leakage current is considerably reduced and electric polarization increases significantly in case of Bi 2 Fe 4(1−x) Sc x O 9 (x = 0.1) nanoparticles. Thus it can be inferred that Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles shows promise as good multiferroic materials. -- Graphical abstract: Undoped and Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles have been synthesized using sonochemical technique. The bi-functionalities of Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles have been demonstrated. The Bi 2 Fe 4(1−x) Sc x O 9 (x = 0.1) nanoparticles showed enhanced magnetic and ferroelectric properties with considerably less lossy characteristics compared to the bulk Bi 2 Fe 4 O 9 . Highlights: ► Phase pure Bi 2 Fe 4 O 9 nanostructures synthesized using a facile sonochemical technique. ► Nanoparticles show a weak ferromagnetic order at room temperature. ► Sc 3+ doping in Bi 2 Fe 4 O 9 nanoparticles alters their magnetic and ferroelectric properties. ► A

Superior acidic catalytic activity and stability of Fe-doped HTaWO6 nanotubes

KAUST Repository

Liu, He

2017-07-26

Fe-doped HTaWO6 (H1-3xFexTaWO6, x = 0.23) nanotubes as highly active solid acid catalysts were prepared via an exfoliation-scrolling-exchange process. The specific surface area and pore volume of undoped nanotubes (20.8 m2 g-1, 0.057 cm3 g-1) were remarkably enhanced through Fe3+ ion-exchange (>100 m2 g-1, 0.547 cm3 g-1). Doping Fe ions into the nanotubes endowed them with improved thermal stability due to the stronger interaction between the intercalated Fe3+ ions and the host layers. This interaction also facilitated the preservation of effective Brønsted acid sites and the generation of new acid sites. The integration of these functional roles resulted in Fe-doped nanotubes with high acidic catalytic activities in the Friedel-Crafts alkylation of anisole and the esterification of acetic acid. Facile accessibility to active sites, generation of effective Brønsted acid sites, high stability of the tubular structure and strong acid sites were found to synergistically contribute to the excellent acidic catalytic efficiency. Additionally, the activity of cycled nanocatalysts can be easily recovered through annealing treatment.

Superior acidic catalytic activity and stability of Fe-doped HTaWO6 nanotubes

KAUST Repository

Liu, He; Zhang, Haitao; Fei, Linfeng; Ma, Hongbin; Zhao, Guoying; Mak, CheeLeung; Zhang, Xixiang; Zhang, Suojiang

2017-01-01

Fe-doped HTaWO6 (H1-3xFexTaWO6, x = 0.23) nanotubes as highly active solid acid catalysts were prepared via an exfoliation-scrolling-exchange process. The specific surface area and pore volume of undoped nanotubes (20.8 m2 g-1, 0.057 cm3 g-1) were remarkably enhanced through Fe3+ ion-exchange (>100 m2 g-1, 0.547 cm3 g-1). Doping Fe ions into the nanotubes endowed them with improved thermal stability due to the stronger interaction between the intercalated Fe3+ ions and the host layers. This interaction also facilitated the preservation of effective Brønsted acid sites and the generation of new acid sites. The integration of these functional roles resulted in Fe-doped nanotubes with high acidic catalytic activities in the Friedel-Crafts alkylation of anisole and the esterification of acetic acid. Facile accessibility to active sites, generation of effective Brønsted acid sites, high stability of the tubular structure and strong acid sites were found to synergistically contribute to the excellent acidic catalytic efficiency. Additionally, the activity of cycled nanocatalysts can be easily recovered through annealing treatment.

The effect of Ni and Fe doping on Hall anomaly in vortex state of doped YBCO samples

Directory of Open Access Journals (Sweden)

M Nazarzadeh

2010-09-01

Full Text Available We have investigated hall effect on YBa2Cu3-xMxO7-δ (M=Ni, Fe bulk samples, with dopant amount 0 ≤ x ≤ 0.045 for Ni and 0 ≤ x ≤ 0.03 for Fe, with magnetic field (H=2.52, 4.61, 6.27 kOe perpendicular to sample’s surface with constant current 100 mA. Our study shows that as both dopants increases, TC decreases and it decreases faster by Ni . In these ranges of dopant and magnetic field the Hall sign reversal has been observed in all samples once and also ∆max has occurred in lower temperatures, its magnitude increases by Ni, and in Fe doped samples except in sample with dopant amount x=0.03, which almost decreases, that it can show effect of magnetic doping on hall effect.

Doping dependence of magnetic and transport properties in single crystalline Co-doped BaFe2As2

International Nuclear Information System (INIS)

Nakajima, Yasuyuki; Taen, Toshihiro; Tamegai, Tsuyoshi

2010-01-01

We report the doping dependence of transport and magnetic properties in Co-doped BaFe 2 As 2 . With increasing Co concentration x, structural and magnetic transitions are suppressed and superconductivity emerges in the range of 0.3 c at low temperatures and low fields obtained from bulk magnetization is reasonably large and the doping dependence shows a maximum at x∼0.07 similar to T c . The values of J c at low temperatures reach about 1x10 6 A/cm 2 around the optimally doped region, which is potentially attractive for technological applications.

Structural, Surface Morphology and Optical Properties of ZnS Films by Chemical Bath Deposition at Various Zn/S Molar Ratios

Directory of Open Access Journals (Sweden)

Fei-Peng Yu

2014-01-01

Full Text Available In this study, ZnS thin films were prepared on glass substrates by chemical bath deposition at various Zn/S molar ratios from 1/50 to 1/150. The effects of Zn/S molar ratio in precursor on the characteristics of ZnS films were demonstrated by X-ray diffraction, scanning electron microscopy, optical transmittance, X-ray photoelectron spectroscopy, and Fourier transform infrared spectrometry. It was found that more voids were formed in the ZnS film prepared using the precursor with Zn/S molar ratio of 1/50, and the other ZnS films showed the denser structure as the molar ratio was decreased from 1/75 to 1/150. From the analyses of chemical bonding states, the ZnS phase was indeed formed in these films. Moreover, the ZnO and Zn(OH2 also appeared due to the water absorption on film surface during deposition. This would be helpful to the junction in cell device. With changing the Zn/S molar ratio from 1/75 to 1/150, the ZnS films demonstrate high transmittance of 75–88% in the visible region, indicating the films are potentially useful in photovoltaic applications.

The Formation of Lithiated Ti-Doped {alpha}-Fe{sub 2}O{sub 3} Nanocrystalline Particles by Mechanical Milling of Ti-Doped Lithium Spinel Ferrite

Energy Technology Data Exchange (ETDEWEB)

Widatallah, H. M., E-mail: hisham@ictp.trieste.it [Khartoum University, Department of Physics (Sudan); Gismelseed, A. M.; Bouziane, K. [Sultan Qaboos University, Department of Physics (Oman); Berry, F. J. [Open University, Department of Chemistry (United Kingdom); Al Rawas, A. D.; Al-Omari, I. A.; Yousif, A. A.; Elzain, M. E. [Sultan Qaboos University, Department of Physics (Oman)

2004-12-15

The milling of spinel-related Ti-doped Li{sub 0.5}Fe{sub 2.5}O{sub 4} for different times is studied with XRD, Moessbauer spectroscopy and magnetic measurements. Milling converts the material to Li-Ti-doped {alpha}-Fe{sub 2}O{sub 3} nanocrystalline particles via an intermediate {gamma}-LiFeO{sub 2}-related phase. The role played by the dopant Ti-ion in the process is emphasized.

Synthesis and Electrochemical Properties of Fe-doped V6O13 as Cathode Material for Lithium-ion Battery

Directory of Open Access Journals (Sweden)

YUAN Qi

2018-01-01

Full Text Available Fe-doped V6O13 was synthesized via a facile hydrothermal method after preparing precursor in order to improve the discharge capacity and cycle performance of V6O13 cathode material at high-lithium state. XRD, SEM and XPS were employed to characterize the phase, morphology and valence of the Fe-doped V6O13. Meanwhile, the electrochemical performance was analyzed and researched. Different morphologies and electrochemical performances of Fe-doped V6O13 were obtained via doping different contents of Fe3+ ion. The sample 0.02 presented the largest thickness of nanosheets (the thickness of 600-900nm and clearance between layers. The Fe-doped V6O13 has a better electrochemical performance than that of pure V6O13. The sample 0.02 exhibits the best electrochemical performance, the initial discharge specific capacity is 433mAh·g-1 and the capacity retention is 47.1% after 100 cycles.

Decorating Mg/Fe oxide nanotubes with nitrogen-doped carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Cao Yong, E-mail: caoyangel@126.com [Institute of Environment and Municipal Engineering, North China Institute of Water Conservancy and Hydroelectric Power, Zhengzhou 450011 (China); Jiao Qingze, E-mail: jiaoqz@bit.edu.cn [School of Chemical Engineering and the Environment, Beijing Institute of Technology, Beijing 100081 (China); Zhao Yun [School of Chemical Engineering and the Environment, Beijing Institute of Technology, Beijing 100081 (China); Dong Yingchao [Materials and Surface Science Institute (MSSI), University of Limerick, Limerick (Ireland)

2011-09-22

Graphical abstract: Highlights: > Mg/Fe oxide nanotubes arrayed parallel to each other were prepared by an AAO template method. > The Mg/Fe oxide nanotubes decorated with CN{sub x} were realized by CVD of ethylenediamine on the outer surface of oxide nanotubes. > The magnetic properties of Mg/Fe oxide nanotubes were highly improved after being decorated. - Abstract: Mg/Fe oxide nanotubes decorated with nitrogen-doped carbon nanotubes (CN{sub x}) were fabricated by catalytic chemical vapor deposition of ethylenediamine on the outer surface of oxide nanotubes. Mg/Fe oxide nanotubes were prepared using a 3:1 molar precursor solution of Mg(NO{sub 3}){sub 2} and Fe(NO{sub 3}){sub 3} and anodic aluminum oxide as the substrate. The obtained samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and vibrating sample magnetometer (VSM). The XRD pattern shows that the oxide nanotubes are made up of MgO and Fe{sub 2}O{sub 3}. TEM and SEM observations indicate the oxide nanotubes are arrayed roughly parallel to each other, and the outer surface of oxide nanotubes are decorated with CN{sub x}. XPS results show the nitrogen-doped level in CN{sub x} is about 7.3 at.%. Magnetic measurements with VSM demonstrate the saturated magnetization, remanence and coercivity of oxide nanotubes are obvious improved after being decorated with CN{sub x}.

First-principle study of structural, electronic, vibrational and magnetic properties of HCN adsorbed graphene doped with Cr, Mn and Fe

International Nuclear Information System (INIS)

Shi, Li Bin; Wang, Yong Ping; Dong, Hai Kuan

2015-01-01

Graphical abstract: - Highlights: • Cr, Mn and Fe doped graphene is more active to adsorb HCN molecule than pristine graphene. • The conductivity of Fe and Mn doped graphene hardly changes after adsorption HCN molecule. • The conductivity of Cr doped graphene can be affected significantly due to HCN adsorption. • The Cr, Mn and Fe may destroy the long range order in graphene. • Phonon density of states suggests that Cr doped graphene is stable. - Abstract: The adsorption energy, electronic structure, lattice vibration and magnetic properties of Cr, Mn and Fe doped graphene with and without HCN adsorption are investigated by the first principles based on density functional theory. The physisorption and chemisorption have been identified. In the paper, Cr-NG, Mn-NG and Fe-NG denote HCN adsorption on Cr, Mn and Fe doped graphene with N atom toward the adsorption site. It is found that the adsorption energy is −1.36 eV for Fe-NG, −0.60 eV for Mn-NG and −0.86 eV for Cr-NG. The Cr-NG will convert from half-metallic behavior to semiconductor after adsorbing HCN molecule, which indicates that the conductivity changes significantly. Phonon density of states (PDOS) shows that the long range order in graphene can be destroyed by doping Fe, Mn and Cr. The imaginary frequency mode in PDOS suggests that Fe and Mn doped graphene is unstable, while Cr doped graphene is stable. The electronic properties are sensitive toward adsorbing HCN, indicating that Cr doped graphene is a promising sensor for detecting HCN molecule. This study provides a useful basis for understanding of a wide variety of physical properties on graphene

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

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Hyeona Mun

2015-03-01

Full Text Available 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.

Effect of Aluminum Doping on the Nanocrystalline ZnS:Al3+ Films Fabricated on Heavily-Doped p-type Si(100) Substrates by Chemical Bath Deposition Method

Science.gov (United States)

Zhu, He-Jie; Liang, Yan; Gao, Xiao-Yong; Guo, Rui-Fang; Ji, Qiang-Min

2015-06-01

Intrinsic ZnS and aluminum-doped nanocrystalline ZnS (ZnS:Al3+) films with zinc-blende structure were fabricated on heavily-doped p-type Si(100) substrates by chemical bath deposition method. Influence of aluminum doping on the microstructure, and photoluminescent and electrical properties of the films, were intensively investigated. The average crystallite size of the films varying in the range of about 9.0 ˜ 35.0 nm initially increases and then decreases with aluminum doping contents, indicating that the crystallization of the films are initially enhanced and then weakened. The incorporation of Al3+ was confirmed from energy dispersive spectrometry and the induced microstrain in the films. Strong and stable visible emission band resulting from the defect-related light emission were observed for the intrinsic ZnS and ZnS:Al3+ films at room temperature. The photoluminescence related to the aluminum can annihilate due to the self-absorption of ZnS:Al3+ when the Al3+ content surpasses certain value. The variation of the resistivity of the films that initially reduces and then increases is mainly caused by the partial substitute for Zn2+ by Al3+ as well as the enhanced crystallization, and by the enhanced crystal boundary scattering, respectively.

Structural, Raman, and dielectric studies on multiferroic Mn-doped Bi 1-xLax FeO 3 ceramics

KAUST Repository

Xing, Zhibiao

2014-04-03

Multiferroic Bi1-xLaxFeO3 [BLFO (x)] ceramics with x = 0.10-0.50 and Mn-doped BLFO (x = 0.30) ceramics with different doping contents (0.1-1.0 mol%) were prepared by solid-state reaction method. They were crystallized in a perovskite phase with rhombohedral symmetry. In the BLFO (x) system, a composition (x)-driven structural transformation (R3c→C222) was observed at x = 0.30. The formation of Bi2Fe 4O9 impure phase was effectively suppressed with increasing the x value, and the rhombohedral distortion in the BLFO ceramics was decreased, leading to some Raman active modes disappeared. A significant red frequency shift (~13 cm-1) of the Raman mode of 232 cm-1 in the BLFO ceramics was observed, which strongly perceived a significant destabilization in the octahedral oxygen chains, and in turn affected the local FeO6 octahedral environment. In the Mn-doped BLFO (x = 0.30) ceramics, the intensity of the Raman mode near 628 cm-1 was increased with increasing the Mn-doping content, which was resulted from an enhanced local Jahn-Teller distortions of the (Mn,Fe)O6 octahedra. Electron microscopy images revealed some changes in the ceramic grain sizes and their morphologies in the Mn-doped samples at different contents. Wedge-shaped 71° ferroelectric domains with domain walls lying on the {110} planes were observed in the BLFO (x = 0.30) ceramics, whereas in the 1.0 mol% Mn-doped BLFO (x = 0.30) samples, 71° ferroelectric domains exhibited a parallel band-shaped morphology with average domain width of 95 nm. Dielectric studies revealed that high dielectric loss of the BLFO (x = 0.30) ceramics was drastically reduced from 0.8 to 0.01 (measured @ 104 Hz) via 1.0 mol% Mn-doping. The underlying mechanisms can be understood by a charge disproportion between the Mn4+ and Fe2+ in the Mn-doped samples, where a reaction of Mn4+ + Fe2+→Mn3+ + Fe3+ is taken place, resulting in the reduction in the oxygen vacancies and a suppression of the electron hopping from Fe3+ to Fe2+ ions

Structural, Raman, and dielectric studies on multiferroic Mn-doped Bi 1-xLax FeO 3 ceramics

KAUST Repository

Xing, Zhibiao; Zhu, Xinhua; Zhu, Jianmin; Liu, Zhiguo; Al-Kassab, Talaat

2014-01-01

Multiferroic Bi1-xLaxFeO3 [BLFO (x)] ceramics with x = 0.10-0.50 and Mn-doped BLFO (x = 0.30) ceramics with different doping contents (0.1-1.0 mol%) were prepared by solid-state reaction method. They were crystallized in a perovskite phase with rhombohedral symmetry. In the BLFO (x) system, a composition (x)-driven structural transformation (R3c→C222) was observed at x = 0.30. The formation of Bi2Fe 4O9 impure phase was effectively suppressed with increasing the x value, and the rhombohedral distortion in the BLFO ceramics was decreased, leading to some Raman active modes disappeared. A significant red frequency shift (~13 cm-1) of the Raman mode of 232 cm-1 in the BLFO ceramics was observed, which strongly perceived a significant destabilization in the octahedral oxygen chains, and in turn affected the local FeO6 octahedral environment. In the Mn-doped BLFO (x = 0.30) ceramics, the intensity of the Raman mode near 628 cm-1 was increased with increasing the Mn-doping content, which was resulted from an enhanced local Jahn-Teller distortions of the (Mn,Fe)O6 octahedra. Electron microscopy images revealed some changes in the ceramic grain sizes and their morphologies in the Mn-doped samples at different contents. Wedge-shaped 71° ferroelectric domains with domain walls lying on the {110} planes were observed in the BLFO (x = 0.30) ceramics, whereas in the 1.0 mol% Mn-doped BLFO (x = 0.30) samples, 71° ferroelectric domains exhibited a parallel band-shaped morphology with average domain width of 95 nm. Dielectric studies revealed that high dielectric loss of the BLFO (x = 0.30) ceramics was drastically reduced from 0.8 to 0.01 (measured @ 104 Hz) via 1.0 mol% Mn-doping. The underlying mechanisms can be understood by a charge disproportion between the Mn4+ and Fe2+ in the Mn-doped samples, where a reaction of Mn4+ + Fe2+→Mn3+ + Fe3+ is taken place, resulting in the reduction in the oxygen vacancies and a suppression of the electron hopping from Fe3+ to Fe2+ ions

Fe/Fe3C decorated 3-D porous nitrogen-doped graphene as a cathode material for rechargeable Li–O2 batteries

International Nuclear Information System (INIS)

Lai, Yanqing; Chen, Wei; Zhang, Zhian; Qu, Yaohui; Gan, Yongqing; Li, Jie

2016-01-01

Graphical abstract: Fe/Fe 3 C decorated 3-D porous N-doped graphene are prepaed by a one-step carbonization process, with MOF as the structure-directing agent. The method provides a simple and scalable route for preparing 3-D porous graphene materials.The as-prepared material possesses an excellent bi-functional electrocatalytic activity. While applied as the cathode materials of Li–O 2 batteries, the cell exihibits high capacity and considerable rate capability. - Highlights: • A facile simple strategy is employed to in-situ fabricate Fe/Fe 3 C decorated 3-D porous nitrogen-doped graphene. • MIL-100(Fe), a kind of metal-organic framework, is proved playing a structure-directing role in this advanced synthesis route. • This material possesses excellent bi-functional electro-catalytic activity for ORR and OER and shows good electrochemical performance while used as cathode material for Li–O 2 batteries. • The MOF-assisted synthesis method would be a promising new strategy for the synthesis of 3-D porous graphene materials. - Abstract: Fe/Fe 3 C decorated 3-D porous N-doped graphene (F-PNG) is designed and synthesized via a one-step carbonization route. During the process, MIL-100(Fe), a kind of metal organic frameworks (MOFs) plays a structure-directing role. It is found that F-PNG with 3-D porous structure is constituted by N-doped graphene and extremely small Fe/Fe 3 C particles uniformly distribute on the surface of graphene. This rationally designed F-PNG possesses excellent oxygen reduction reaction and oxygen evolution reaction bifunctional electrocatalytic activity. While the material is explored as a cathode of Li–O 2 batteries, it exhibits excellent electrochemical performances, delivering a discharge voltage platform of ∼2.91 V and a charge voltage platform of ∼3.52 V at 0.1 mA cm −2 , showing a good cycle performance and having a discharge capacity of ∼7150 mAh g −1 carbon+catalyst at 0.1 mA cm −2 . The excellent performance of

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

International Nuclear Information System (INIS)

Ram, Mast; Bala, Kanchan; Sharma, Hakikat; Kumar, Arun; Negi, N. S.

2016-01-01

In the present study, nanoparticles of Fe doped zinc oxide (ZnO) [Zn_1_-_xFe_xO 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.

Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0 0 0 1) surface

International Nuclear Information System (INIS)

Wu Guangxin; Zhang Jieyu; Wu Yongquan; Li Qian; Chou Kuochih; Bao Xinhua

2009-01-01

Using density functional theory (DFT) in combination with nudged elastic band (NEB) method, the dissociative chemisorptions and diffusion processes of hydrogen on both pure and Fe-doped Mg(0 0 0 1) surfaces are studied. Firstly, the dissociation pathway of H 2 and the relative barrier were investigated. The calculated dissociation barrier (1.08 eV) of hydrogen molecule on a pure Mg(0 0 0 1) surface is in good agreement with comparable experimental and theoretical studies. For the Fe-doped Mg(0 0 0 1) surface, the activated barrier decreases to 0.101 eV due to the strong interaction between the s orbital of H and the d orbital of Fe. Then, the diffusion processes of atomic hydrogen on pure and Fe-doped Mg(0 0 0 1) are presented. The obtained diffusion barrier to the first subsurface is 0.45 eV and 0.98 eV, respectively. Finally, Chou method was used to investigate the hydrogen sorption kinetic mechanism of pure MgH 2 and Mg mixed with 5 at.% Fe atoms composites. The obtained activation energies are 0.87 ± 0.02 and 0.31 ± 0.01 eV for H 2 dissociation on the pure surface and H atom diffusion in Fe-doped Mg surfaces, respectively. It suggests that the rate-controlling step is dissociation of H 2 on the pure Mg surface while it is diffusion of H atom in the Fe-doped Mg surface. And both of fitting data are matching well with our calculation results.

Synthesis and photocatalytic activity of mesoporous nanocrystalline Fe-doped titanium dioxide

KAUST Repository

Qamar, Mohd

2014-07-01

Synthesis of mesoporous nanocrystalline iron-doped titania following the sol-gel method is presented in this work. Samples with various molar ratios (0.1, 0.25, 0.5, 1.0, 2.5, 5.0, 10 and 20%) of Fe to Ti were prepared. The particle size was found to be in the range of ∼12 nm while mesopores were approximately near to ∼5.5 nm. The effect of Fe as doping element on titania properties, such as crystallite size, surface area, pore size, pore volume and d-spacing was investigated. Moreover, distribution of Fe in TiO2 matrix was determined by elemental mapping whereas change in absorption properties was evaluated by diffuse reflectance spectroscopy. It was observed that as the Fe content was increased, a partial phase transformation from anatase to rutile and pseudorutile took place. Effect of ultraviolet, ultraviolet-visible and visible radiations on the photocatalytic activity of these catalysts was studied by removal of Methyl Orange as model pollutant. As results, it was found that the photocatalytic activity of such catalysts depends strongly on Fe amount and type of radiation. © 2013 Elsevier B.V.

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

Science.gov (United States)

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.

CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

Directory of Open Access Journals (Sweden)

G. R. Berdiyorov

2016-12-01

Full Text Available Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to enhance gas sensing and catalytic properties of graphene. We use density functional theory in combination with the nonequilibrium Green’s function formalism to study the conductance response of Fe-doped graphene nanoribbons to CO2 gas adsorption. A single Fe atom is either adsorbed on graphene’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 impurities. The reduction in the transmission is more pronounced in the case of aFe-graphene. In addition, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. Pristine graphene is also found to be less sensitive to the molecular adsorption. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing graphene-based solid-state gas sensors.

Structural transitions and multiferroic properties of high Ni-doped BiFeO3

Science.gov (United States)

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 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 Behavior modifications of electrical conductivity, permittivity and dielectric loss versus frequency are related with crystal structure transformations, when nickel concentration is increased.

Different doping effect on physical properties of non-magnetic Pt and Ga in CaFe{sub 4}As{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Wu, Dapeng

2015-02-25

Highlights: • CaFe{sub 3.64}Pt{sub 0.36}As{sub 3} and CaFe{sub 3.64}Ga{sub 0.36}As{sub 3} were grown using Sn flux method. • The two magnetic transition temperatures of CaFe{sub 4}As{sub 3} remain untouched upon Pt or Ga doping. • The effects of Pt and Ga doping give a different modification of physical properties and electronic structure in CaFe{sub 4}As{sub 3}. • The magnetic structure of CaFe{sub 4}As{sub 3} is insusceptible to non-magnetic dopants. - Abstract: We have successfully doped Pt and Ga into CaFe{sub 4}As{sub 3} and investigated the structure and physical properties of CaFe{sub 3.64}X{sub 0.36}As{sub 3} (X = Pt, Ga). Two magnetic transition temperatures remain unchanged upon Pt or Ga doping, as confirmed by specific heat, electrical resistivity and magnetic susceptibility. The electrical resistivity of CaFe{sub 4}As{sub 3} is reduced by approximately half with Pt dopant but increases by an order of magnitude with Ga doping, consistent with the changes in their Hall coefficients, which indicates the effects of Pt and Ga doping give us a different modification on physical properties and electronic structure in CaFe{sub 4}As{sub 3}.

Reduced graphene oxide decorated with Fe doped SnO{sub 2} nanoparticles for humidity sensor

Energy Technology Data Exchange (ETDEWEB)

Toloman, D. [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293 Cluj-Napoca (Romania); Popa, A., E-mail: popa@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293 Cluj-Napoca (Romania); Stan, M.; Socaci, C.; Biris, A.R. [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Street, 400293 Cluj-Napoca (Romania); Katona, G. [Babes-Bolyai University, Faculty of Chemistry and Chemical Engineering, 11 Arany Janos Street, 400028 Cluj-Napoca (Romania); Tudorache, F. [Interdisciplinary Research Department – Field Science & RAMTECH, Al. I. Cuza University, 11 Carol I Blvd., 7000506 Iasi (Romania); Petrila, I. [Interdisciplinary Research Department – Field Science & RAMTECH, Al. I. Cuza University, 11 Carol I Blvd., 7000506 Iasi (Romania); Faculty of Automatic Control and Computer Engineering, Gheorghe Asachi Technical University, 27 Dimitrie Mangeron Street, 700050 Iasi (Romania); Iacomi, F. [Faculty of Physics, Al. I. Cuza University, 11 Carol I Blvd., 7000506 Iasi (Romania)

2017-04-30

Highlights: • Reduced graphene oxide decorated with Fe doped SnO{sub 2} nanoparticles were synthesized. • The decoration of rGO layers with SnO{sub 2}:Fe nanoparticles was highlited by TEM. • The reduction of graphene oxide was evidenced using XRD and FT-IR. • Sensitivity tests for relative humidity (RH) were carried out. • The composite sensor exhibited enhanced sensing response as compared with Fe:SnO{sub 2}. - Abstract: Reduced graphene oxide (rGO) decorated with Fe doped SnO{sub 2} nanoparticles were fabricated via the electrostatic interaction between positively charged modified Fe-doped SnO{sub 2} oxide and negatively charged graphene oxide (GO) in the presence of poly(allylamine) hydrochloride (PAH). The decoration of rGO layers with SnO{sub 2}:Fe nanoparticles was highlited by TEM microsopy. For composite sample the diffraction patterns coincide well with those of SnO{sub 2}:Fe nanoparticles. The reduction of graphene oxide was evidenced using XRD and FT-IR spectroscopy. The formation of SnO{sub 2}:Fe-PAH-graphene composites was confirmed by FT-IR, Raman and EPR spectroscopy. Sensitivity tests for relative humidity (RH) measurements were carried out at five different concentrations of humid air at room temperature. The prepared composite sensor exhibited a higher sensing response as compared with Fe:SnO{sub 2} nanoparticles.

Synthesis of Ce(III)-doped Fe3O4 magnetic particles for efficient removal of antimony from aqueous solution

International Nuclear Information System (INIS)

Qi, Zenglu; Joshi, Tista Prasai; Liu, Ruiping; Liu, Huijuan; Qu, Jiuhui

2017-01-01

Highlights: • Doping of Ce into Fe 3 O 4 was achieved based on a facile solvothermal method. • After doping, the removal capacity was increased by 5 times for “Sb(V)” and 2 times for “Sb(III)”. • Decreasing pH improved adsorption of Sb(V) but decreased adsorption of Sb(III). • Antimony sorption mechanisms on Ce-doped Fe 3 O 4 were illustrated. - Abstract: Aqueous antimony (Sb) pollution from human activity is of great concern in drinking water due to its adverse health effect. Magnetic Fe 3 O 4 particles, with high separation ability from solution, have been considered as a low-cost Sb adsorbent for contaminants. However, the limited adsorption capacity has restricted its practical application. In this study, a solvothermal approach was developed for doping Ce(III) into Fe 3 O 4 , thereby increasing the adsorption efficacy for both Sb(III) and Sb(V). In contrast to un-doped Fe 3 O 4 , the adsorption capacity towards Sb(III) and Sb(V) in Ce-doped materials increased from 111.4 to 224.2 mg/g and from 37.2 to 188.1 mg/g at neutral pH, respectively. Based on the combined results of XPS, XRD, and FTIR, it confirmed that Ce atom successfully doped into the Fe 3 O 4 structure, resulting in the decreased particle size, increased the surface area, and isoelectric point. Furthermore, the vibrating sample magnetometer (VSM) results showed that the Ce doping process had some side effects on the primitive magnetic property, but remaining the high separation potential during water treatment. According to the high removal efficiency and magnetic property, the Ce-doped Fe 3 O 4 of great simplicity should be a promising adsorbent for aqueous Sb removal.

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

Science.gov (United States)

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.

The synergetic effect of V and Fe-co-doping in TiO{sub 2} studied from the DFT + U first-principle calculation

Energy Technology Data Exchange (ETDEWEB)

Liu, Baoshun, E-mail: liubaoshun@126.com; Zhao, Xiujian

2017-03-31

Highlights: • The effect of Fe and V doping on TiO{sub 2} structure was studied with DFT + U calculation. • V and Fe co-doping affects the formation energies and electronic structure. • V and Fe co-doping causes the synergetic effect on the optical properties. - Abstract: Based on the density functional theory (DFT + U), a detailed study on the energetic, electronic, and optical properties of Fe-, V-, and Fe & V-co-doping anatase and rutile TiO{sub 2} was performed The synergetic effect of Fe & V bimetal co-doping on the optical absorption was discussed on electronic level. Two kinds of co-dopants were considered, which included edge-shared and corner-shared co-doping. It was shown that Fe and V atoms prefer to replace Ti atom in the O-rich contions than in the Ti-rich conditions. Co-doping in anatase reduces the formation energies in both cases, while the formation energies for rutile cannot be decreased. The Bader charge analysis indicates the +3 of Fe atom and +4 of V atom, and the obvious electron exchange between Fe and V atom in co-doping cases can be identified, which indicates the presence of synergetic effect induced by co-doping. The cooperation of Fe & V co-dopants was also supported by the result of projected density of states and spin charge density differences, as the hybridization of Fe3d with V3d orbitals was seen within the TiO{sub 2} forbidden band. Different from single-dopant systems, the V3d-Fe3d co-interaction leads to the formation of some spin mid-gap states, which have an obvious effect on the optical absorptions.

Magnetic study of Fe-doped CdSe nanomaterials

International Nuclear Information System (INIS)

Das, Sayantani; Banerjee, Sourish; Sinha, T. P.

2016-01-01

Nanoparticles of pure and iron (50 %) doped cadmium selenide (CdSe) have been synthesized by soft chemical route. EDAX analysis supports the inclusion of Fe into CdSe nanoparticles. The average particle size of pure and doped CdSe is found to be ∼50 nm from scanning electron microscopy (SEM). Magnetization of the samples are measured under the field cooled (FC) and zero field cooled (ZFC) modes in the temperature range from 5K to 300K applying a magnetic field of 500Oe. Field dependent magnetization (M-H) measurement indicates presence of room temperature (RT) paramagnetism and low temperature (5K) ferromagnetism of the sample.

Magnetic phase investigations on fluorine (F) doped LiFePO4

Science.gov (United States)

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.

Violet emission from Fe doped ZnO nanoparticles synthesized by precipitation method

Energy Technology Data Exchange (ETDEWEB)

Kanchana, S., E-mail: skanchana09@gmail.com [PG & Research Department of Physics, Urumu Dhanalaksmi College, Tiruchirapalli 620019 (India); Chithra, M. Jay [Nanomaterials Research Laboratory, Department of Physics, Government Arts College, Karur 639005 (India); Ernest, Suhashini [PG & Research Department of Physics, Urumu Dhanalaksmi College, Tiruchirapalli 620019 (India); Pushpanathan, K. [Nanomaterials Research Laboratory, Department of Physics, Government Arts College, Karur 639005 (India)

2016-08-15

In this article we have reported the synthesis of Fe doped zinc oxide nanoparticles by the chemical precipitation method. The structural, compositional and optical properties have been examined by powder X-ray diffractometer, scanning electron microscope, transmission electron microscope, ultraviolet–visible and spectrophotometer. X-ray diffraction analysis confirmed the crystallites are in nanometer size and the sample contains polycrystals with hexagonal wurtzite structure. The average crystallite size has been found to increase from 25 nm to 36 nm with increase in Fe concentration. Scanning electron microscope result also confirmed the nanosize of the particles. Ultraviolet–visible spectrum of Fe doped zinc oxide shows a red shift with respect to undoped zinc oxide. The band gap of the samples was calculated from ultraviolet–visible spectrum and it is narrow from 3.30 eV to 3.23 eV with increasing Fe dopant upto 6%. The stretching bonds in Zn– Fe–O have been observed in FTIR spectra.

Enhanced magnetic and dielectric behavior in Co doped BiFeO{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Chakrabarti, Kaushik; Sarkar, Babusona; Ashok, Vishal Dev [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700032 (India); Chaudhuri, Sheli Sinha [Department of Electronics and Telecommunication Engineering, Jadavpur University, Kolkata-700032 (India); De, S.K., E-mail: msskd@iacs.res.in [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700032 (India)

2015-05-01

Magnetic and dielectric properties of Co doped BiFeO{sub 3} (BFO) nanoparticles (13 nm) have been investigated. The dopant Co{sup 2+} converts spherical morphology to cubic nanostructures. The significant changes in temperature dependence of magnetization may be due to magnetic disorder phase induced by divalent Co. The substitution of Fe by Co disrupts cycloidal spin structure of BFO and improves the ferromagnetic property. Enhancement of the saturation magnetization and coercivity by about 10 times in doped BFO are due to changes in morphology. High dielectric constant of about 670 and low loss at room temperature show Co doped BFO as promising material for multifunctional devices.

Synthesis of Fe-Doped ZnO Nanorods by Rapid Mixing Hydrothermal Method and Its Application for High Performance UV Photodetector

Directory of Open Access Journals (Sweden)

Chan Oeurn Chey

2014-01-01

Full Text Available We have successfully synthesized Fe-doped ZnO nanorods by a new and simple method in which the adopted approach is by using ammonia as a continuous source of OH- for hydrolysis instead of hexamethylenetetramine (HMT. The energy dispersive X-ray (EDX spectra revealed that the Fe peaks were presented in the grown Fe-doped ZnO nanorods samples and the X-ray photoelectron spectroscopy (XPS results suggested that Fe3+ is incorporated into the ZnO lattice. Structural characterization indicated that the Fe-doped ZnO nanorods grow along the c-axis with a hexagonal wurtzite structure and have single crystalline nature without any secondary phases or clusters of FeO or Fe3O4 observed in the samples. The Fe-doped ZnO nanorods showed room temperature (300 K ferromagnetic magnetization versus field (M-H hysteresis and the magnetization increases from 2.5 μemu to 9.1 μemu for Zn0.99Fe0.01O and Zn0.95Fe0.05O, respectively. Moreover, the fabricated Au/Fe-doped ZnO Schottky diode based UV photodetector achieved 2.33 A/W of responsivity and 5 s of time response. Compared to other Au/ZnO nanorods Schottky devices, the presented responsivity is an improvement by a factor of 3.9.

Comparing the Electrochemical Performance of LiFePO4/C Modified by Mg Doping and MgO Coating

Directory of Open Access Journals (Sweden)

Jianjun Song

2013-01-01

Full Text Available Supervalent cation doping and metal oxide coating are the most efficacious and popular methods to optimize the property of LiFePO4 lithium battery material. Mg-doped and MgO-coated LiFePO4/C were synthesized to analyze their individual influence on the electrochemical performance of active material. The specific capacity and rate capability of LiFePO4/C are improved by both MgO coating and Mg doping, especially the Mg-doped sample—Li0.985Mg0.015FePO4/C, whose discharge capacity is up to 163 mAh g−1, 145.5 mAh g−1, 128.3 mAh g−1, and 103.7 mAh g−1 at 1 C, 2 C, 5 C, and 10 C, respectively. The cyclic life of electrode is obviously increased by MgO surface modification, and the discharge capacity retention rate of sample LiFePO4/C-MgO2.5 is up to 104.2% after 100 cycles. Comparing samples modified by these two methods, Mg doping is more prominent on prompting the capacity and rate capability of LiFePO4, while MgO coating is superior in terms of improving cyclic performance.

Identification of ε-Fe{sub 2}O{sub 3} nano-phase in borate glasses doped with Fe and Gd

Energy Technology Data Exchange (ETDEWEB)

Ivanova, O.S.; Ivantsov, R.D. [L.V. Kirensky Institute of Physics, Siberian Branch of RAS, 660036 Krasnoyarsk (Russian Federation); Edelman, I.S., E-mail: ise@iph.krasn.ru [L.V. Kirensky Institute of Physics, Siberian Branch of RAS, 660036 Krasnoyarsk (Russian Federation); Petrakovskaja, E.A. [L.V. Kirensky Institute of Physics, Siberian Branch of RAS, 660036 Krasnoyarsk (Russian Federation); Velikanov, D.A. [L.V. Kirensky Institute of Physics, Siberian Branch of RAS, 660036 Krasnoyarsk (Russian Federation); Siberian Federal University, 660036 Krasnoyarsk (Russian Federation); Zubavichus, Y.V. [NRC “Kurchatov Institute”, 123182 Moscow (Russian Federation); Zaikovskii, V.I. [Boreskov Institute of Catalysis, Siberian Branch of RAS, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 630090 Novosibirsk (Russian Federation); Stepanov, S.A. [Vavilov State Optical Institute, All-Russia Research Center, 192371 Petersburg (Russian Federation)

2016-03-01

A new type of magnetic nanoparticles was revealed in borate glasses co-doped with low contents of iron and gadolinium. Structure and magnetic properties of the particles differ essentially from that of the α-Fe{sub 2}O{sub 3}, γ-Fe{sub 2}O{sub 3}, or Fe{sub 3}O{sub 4} nanoparticles which were detected earlier in similar glass matrices. Transmission electron microscopy including STEM-HAADF and EDX, synchrotron radiation-based XRD, static magnetic measurements, magnetic circular dichroism, and electron magnetic resonance studies allow referring the nanoparticles to the iron oxide phase-ε-Fe{sub 2}O{sub 3}. Analysis of the data set has shown that it is Gd atoms that govern the process of nanoparticles’ nucleation and its incorporation into the particles in different proportions can be used to adjust their magnetic and magneto-optical characteristics. - Highlights: • Alumina-potassium-borate glasses co-doped with Fe and Gd are studied. • Magnetic nanoparticles with structure close to ε-Fe{sub 2}O{sub 3} are shown to arise in glasses • Magnetic hysteresis loops and EMR evidence on the ferromagnetic and paramagnetic nano-phases coexistence. • Magnetic circular dichroism for ε-Fe{sub 2}O{sub 3} is studied for the first time.

Structure and magnetic properties of Fe doped In{sub 2}O{sub 3} thin films prepared by electron beam evaporation

Energy Technology Data Exchange (ETDEWEB)

Krishna, N. Sai; Kaleemulla, S., E-mail: skaleemulla@gmail.com; Rao, N. Madhusudhana; Krishnamoorthi, C.; Begam, M. Rigana [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore – 632014 (India); Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam – 603102 (India); UGC-DAE-CSR, Kalpakkam Node, Kokilamedu, Tamilnadu -603104 (India)

2015-06-24

Pure and Fe (7 at.%) doped In{sub 2}O{sub 3} thin films were grown onto the glass substrates by electron beam evaporation technique. The structural and magnetic properties of the pure and Fe doped In{sub 2}O{sub 3} thin films have been studied. The undoped and Fe doped In{sub 2}O{sub 3} thin films shown ferromagnetic property at room temperature. A magnetization of 24 emu/cm{sup 3} was observed for pure In{sub 2}O{sub 3} thin films. The magnetization of 38.23 emu/cm{sup 3} was observed for the Fe (7 at.%) doped In{sub 2}O{sub 3} thin films.

Enhanced visible light photocatalytic properties of Fe-doped TiO2 nanorod clusters and monodispersed nanoparticles

International Nuclear Information System (INIS)

Liu, Y.; Wei, J.H.; Xiong, R.; Pan, C.X.; Shi, J.

2011-01-01

In order to get photocatalysts with desired morphologies and enhanced visible light responses, the Fe-doped TiO 2 nanorod clusters and monodispersed nanoparticles were prepared by modified hydrothermal and solvothermal method, respectively. The microstructures and morphologies of TiO 2 crystals can be controlled by restraining the hydrolytic reaction rates. The Fe-doped photocatalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV-vis absorption spectroscopy (UV-vis), N 2 adsorption-desorption measurement (BET), and photoluminescence spectroscopy (PL). The refinements of the microstructures and morphologies result in the enhancement of the specific surface areas. The Fe 3+ -dopants in TiO 2 lattices not only lead to the significantly extending of the optical responses from UV to visible region but also diminish the recombination rates of the electrons and holes. The photocatalytic activities were evaluated by photocatalytic decomposition of formaldehyde in air under visible light illumination. Compared with P25 (TiO 2 ) and N-doped TiO 2 nanoparticles, the Fe-doped photocatalysts show high photocatalytic activities under visible light.

Halobenzoquinone-mediated assembly of amino acid modified Mn-doped ZnS quantum dots for halobenzoquinones detection in drinking water.

Science.gov (United States)

Jiao, Zhe; Zhang, Pengfei; Chen, Hongwei; Li, Jingwen; Zhong, Zhengquan; Fan, Hongbo; Cheng, Faliang

2018-10-05

Halobenzoquinones (HBQs) were reported as disinfection byproducts (DBPs) which had potential risk of bladder cancer. In this paper, a highly selective analytical method for HBQs was developed by HBQs-mediated assembly of amino acid modified Mn-doped ZnS/Quantum Dots (Mn: ZnS QDs). In the presence HBQs, a charge-transfer complex (CTC) was formed between aromatic rings of HBQs and the primary amino groups on the surface of the QDs. The formation of CTC led to the aggregation of QDs, as a result fluorescence decreasing occurred. The decrease was correlated with the concentration of HBQs. Then a fluorescence sensor array for discrimination of three kinds of HBQs including 2,6-Dichloro-1,4-benzoquinone (DCBQ), 2,6-Dibromo-1,4-benzoquinone (DBBQ) and 2,3,6-trichloro-1,4-benzoquinone (TCBQ) was developed. Four kinds of amino acids including cysteine, threonine, tyrosine and tryptophan were embellished on the Mn: ZnS QDs. The different extents of aggregation led to different fluorescence decreasing effect, thus distinct fluorescence patterns were created. It showed that three kinds of HBQs could be discriminated successfully by fluorescence sensor array at a range of concentrations through principal component analysis (PCA). The unknown samples were predicted by with a stepwise linear discriminant analysis (SLDA) using Mahalanobis distance as a selection criterion with accuracy of 100%. Remarkably, the practicability of the proposed sensor array was further validated by identification of three kinds of HBQs at different concentrations in real drinking water samples. Compared to LC/MS/MS, this fluorescent sensor array-based method was proved to be more convenient since the nanoparticles can be prepared flexibly according to the property of the target. Copyright © 2018 Elsevier B.V. All rights reserved.

Electron and hole doping effects in Sr{sub 2}FeMoO{sub 6} double perovskites

Energy Technology Data Exchange (ETDEWEB)

Sanchez, D. E-mail: diana.sanchez@icmm.csic.es; Alonso, J.A.; Garcia-Hernandez, M.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T

2004-05-01

Electron and hole doping effects in the ferromagnetic and structural properties of the double perovskite Sr{sub 2}FeMoO{sub 6} are studied along the series Sr{sub 2-x}La{sub x}FeMoO{sub 6} (0{<=}x{<=}1) and Sr{sub 2-x}FeMoO{sub 6} (0{<=}x{<=}0.4) from neutron powder diffraction and magnetization data. Sr-deficient samples (hole doped) show moderate changes in the structure and both T{sub c} and M{sub s} rapidly decrease with x. On the contrary, a change from tetragonal to monoclinic symmetry and a non monotonic behaviour in T{sub c} is found in the La-substituted series (electron doped)

Optimization of Electrochemical Performance of LiFePO4/C by Indium Doping and High Temperature Annealing

Directory of Open Access Journals (Sweden)

Ajay Kumar

2017-10-01

Full Text Available We have prepared nano-structured In-doped (1 mol % LiFePO4/C samples by sol–gel method followed by a selective high temperature (600 and 700 °C annealing in a reducing environment of flowing Ar/H2 atmosphere. The crystal structure, particle size, morphology, and magnetic properties of nano-composites were characterized by X-ray diffraction (XRD, scanning electron microsopy (SEM, transmission electron microscopy (TEM, and 57Fe Mössbauer spectroscopy. The Rietveld refinement of XRD patterns of the nano-composites were indexed to the olivine crystal structure of LiFePO4 with space group Pnma, showing minor impurities of Fe2P and Li3PO4 due to decomposition of LiFePO4. We found that the doping of In in LiFePO4/C nanocomposites affects the amount of decomposed products, when compared to the un-doped ones treated under similar conditions. An optimum amount of Fe2P present in the In-doped samples enhances the electronic conductivity to achieve a much improved electrochemical performance. The galvanostatic charge/discharge curves show a significant improvement in the electrochemical performance of 700 °C annealed In-doped-LiFePO4/C sample with a discharge capacity of 142 mAh·g−1 at 1 C rate, better rate capability (~128 mAh·g−1 at 10 C rate, ~75% of the theoretical capacity and excellent cyclic stability (96% retention after 250 cycles compared to other samples. This enhancement in electrochemical performance is consistent with the results of our electrochemical impedance spectroscopy measurements showing decreased charge-transfer resistance and high exchange current density.

Nickel doping effect on resistance to movement of edge dislocations in α-Fe

International Nuclear Information System (INIS)

Brovkov, V.A.; Dudarev, E.F.

1984-01-01

Microplastic deformation of α-Fe polycrystals and Fe-Ni solid solutions is studied. Data on concentration and temperature dependences of a resistance to movement of edge dislocation at the expense of elastic interaction with atoms of the doping element are obtained

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

Science.gov (United States)

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.

Structural phase transition and magnetic properties of Er-doped BiFeO3 nanoparticles

International Nuclear Information System (INIS)

Li, Y T; Zhang, H G; Dong, X G; Li, Q; Mao, W W; Dong, C L; Ren, S L; Li, X A; Wei, S Q

2013-01-01

The structural phase transition and local structural distortion of Er-doped BiFeO 3 nanoparticles have been discussed in order to understand the variation of magnetic properties in this system. The X-ray diffraction patterns and X-ray absorption fine structure of these samples demonstrate that there is structural phase transition and no obvious local structural distortion with the increasing of doping concentration. Unfortunately, no ferromagnetic properties have been observed even at a lower temperature. And the X-ray absorption spectra of Fe 2p core level of these samples are totally same, especially the energy positions do not shift which means the consistent valence states of Fe ions.

Structural and photodegradation behaviors of Fe{sup 3+}-doping TiO{sub 2} thin films prepared by a sol–gel spin coating

Energy Technology Data Exchange (ETDEWEB)

Lin, Huey-Jiuan; Yang, Tien-Syh [Department of Materials Science and Engineering, National United University, 1 Lien-Da, Kung-Ching Li, Miao-Li 36003, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80782, Taiwan (China); Hsi, Chi-Shiung, E-mail: chsi@nuu.edu.tw [Department of Materials Science and Engineering, National United University, 1 Lien-Da, Kung-Ching Li, Miao-Li 36003, Taiwan (China)

2014-10-15

Highlights: • Pure and various Fe{sup 3+}-doped TiO{sub 2} thin films have been successfully fabricated. • The phase of all thin films was single phase of anatase TiO{sub 2} when calcined at 823 K. • The crystallinity of TiO{sub 2} thin films decreased as Fe{sup 3+}-doping increased. • The photodegradation of each sample increased as the irradiation time increased. • The photodegradation increased as Fe{sup 3+}-doping increased at a fixed irradiation time. - Abstract: Pure and various Fe{sup 3+}-doping TiO{sub 2} thin films have been successfully fabricated on glass substrate prepared by a sol–gel spin coating route. The structural and photodegradation behavior of these films after calcined at various temperatures for 1 h were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL) spectrum and degradation of 1.0 × 10{sup −5} M methylene blue solution. When all thin films after calcined at 823 K for 1 h, the crystalline phase are comprised only contained single phase of anatase TiO{sub 2}. The crystallinity of various Fe{sup 3+}-doping TiO{sub 2} thin films decreases with Fe{sup 3+}-doping concentration increased. The PL intensity of all thin films also decreases with Fe{sup 3+}-doping concentration increased. When all various Fe{sup 3+}-doping TiO{sub 2} thin films after calcined at 823 K for 1 h, the photodegradation of each sample increases with irradiation time increased. Moreover, the photodegradation also increases with Fe{sup 3+}-doping concentration increased when fixed at constant irradiation time.

Synthesis and characterization of TiO2 photocatalyst doped by transition metal ions (Fe3+, Cr3+ and V5+)

International Nuclear Information System (INIS)

Tuan Vu, Anh; Linh Bui, Thi Hai; Cuong Tran, Manh; Phuong Dang, Tuyet; Hoa Tran, Thi Kim; Tuan Nguyen, Quoc

2010-01-01

Nano TiO 2 was synthesized by the hydrothermal method. The sample was doped with transition metal ions (V, Cr and Fe) and non-metal (N). Doped TiO 2 samples were characterized by x-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM) and UV-Vis diffuse reflectance spectroscopy (UV-Vis). Photocatalytic activity in the mineralization of xylene (vapor phase), methylene blue and active dyer PR (liquid phase) was tested. In comparison with non-doped TiO 2 , V-, Cr-, Fe-doped TiO 2 and N-doped TiO 2 samples exhibited much higher photocatalytic activity using visible light instead of UV

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

Science.gov (United States)

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.

Science.gov (United States)

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.

Electronic conduction in doped multiferroic BiFeO3

Science.gov (United States)

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.

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

Science.gov (United States)

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

2006-07-01

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

Probing magnetism and electronic structure of Fe-doped ZnO thin films

International Nuclear Information System (INIS)

El Amiri, A.; Moubah, R.; Lmai, F.; Abid, M.; Hassanain, N.; Hlil, E.K.; Lassri, H.

2016-01-01

Ab-initio calculations using Korringa–Kohn–Rostoker method combined with the coherent potential approximation were performed in order to study the magnetic properties of Fe-doped ZnO thin films with different Fe contents. The extracted parameters are compared with those determined experimentally. Based on total and partial densities of state curves, we demonstrate that there is a competition between p–d exchange and superexchange mechanisms leading to weak ferromagnetic and antiferromagnetic contributions, respectively. The dominant mechanism is found to be antiferromagnetic. However, with increasing Fe content the ferromagnetic contribution increases. In addition, the effect of structural defects on the magnetism of the system is reported. It is shown that both Zn and O vacancies increase ferromagnetism, which is more pronounced in case of Zn. - Highlights: • The KKR–CPA approach was used to study the magnetism of Fe-doped ZnO thin films. • There is a competition between p–d exchange and superexchange mechanisms leading to weak ferromagnetic and antiferromagnetic contributions. • Zn vacancies are more significant than the O ones for obtaining ferromagnetism.

Probing magnetism and electronic structure of Fe-doped ZnO thin films

Energy Technology Data Exchange (ETDEWEB)

El Amiri, A., E-mail: aelamiri@casablanca.ma [LPFA, Faculté des Sciences Ain Chock, Université Hassan II, BP 5366 Mâarif, Casablanca (Morocco); Moubah, R., E-mail: reda.moubah@hotmail.fr [LPMMAT, Faculté des Sciences Ain Chock, Université Hassan II, BP 5366 Mâarif, Casablanca (Morocco); Lmai, F. [LPTA, Faculté des Sciences Ain Chock, Université Hassan II, BP 5366 Mâarif, Casablanca (Morocco); Abid, M. [LPFA, Faculté des Sciences Ain Chock, Université Hassan II, BP 5366 Mâarif, Casablanca (Morocco); Hassanain, N. [Laboratoire de Physique des Matériaux, Faculté des Sciences, BP 1014 Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042 Grenoble (France); Lassri, H. [LPMMAT, Faculté des Sciences Ain Chock, Université Hassan II, BP 5366 Mâarif, Casablanca (Morocco)

2016-01-15

Ab-initio calculations using Korringa–Kohn–Rostoker method combined with the coherent potential approximation were performed in order to study the magnetic properties of Fe-doped ZnO thin films with different Fe contents. The extracted parameters are compared with those determined experimentally. Based on total and partial densities of state curves, we demonstrate that there is a competition between p–d exchange and superexchange mechanisms leading to weak ferromagnetic and antiferromagnetic contributions, respectively. The dominant mechanism is found to be antiferromagnetic. However, with increasing Fe content the ferromagnetic contribution increases. In addition, the effect of structural defects on the magnetism of the system is reported. It is shown that both Zn and O vacancies increase ferromagnetism, which is more pronounced in case of Zn. - Highlights: • The KKR–CPA approach was used to study the magnetism of Fe-doped ZnO thin films. • There is a competition between p–d exchange and superexchange mechanisms leading to weak ferromagnetic and antiferromagnetic contributions. • Zn vacancies are more significant than the O ones for obtaining ferromagnetism.

Synthesis, characterization and gas sensing properties of undoped and Zn-doped γ-Fe2O3-based gas sensors

International Nuclear Information System (INIS)

Jing Zhihong

2006-01-01

In this study, undoped and Zn-doped γ-Fe 2 O 3 nanopowders have been prepared using Fe(NO 3 ) 3 .9H 2 O and Zn(NO 3 ) 2 .6H 2 O as starting materials and lauryl alcohol as anhydrous medium. Thermo-gravimetric analysis (TGA), differential thermal analysis (DTA), X-ray diffraction (XRD) and transmission electron micrograph (TEM) were employed to characterize the products. Sensitivity characteristics of the undoped and Zn-doped γ-Fe 2 O 3 semiconductor gas sensors have been investigated. The results show that both of the undoped and 15 mol% Zn-doped γ-Fe 2 O 3 -based gas sensors present good sensitivity and selectivity to acetone and ethanol in presence of CH 4 , H 2 and CO at the operating temperatures of 240 and 270 deg. C, respectively. After being doped with 15 mol% Zn addition, the γ-Fe 2 O 3 -based gas element displays higher sensitivity and selectivity as well as shorter response-recovery time compared with the undoped, suggesting that the promoting effect of ZnO is excellent. So, it seems that the γ-Fe 2 O 3 -based gas sensor doped with 15 mol% Zn is expected to be a promising sensor for detecting acetone and ethanol

Structural properties of pure and Fe-doped Yb films prepared by vapor condensation

Energy Technology Data Exchange (ETDEWEB)

Rojas-Ayala, C., E-mail: chachi@cbpf.br [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil); Facultad de Ciencias Físicas, Universidad Nacional Mayor de San Marcos, Lima, P.O.B. 14-149, Lima 14 (Peru); Passamani, E.C. [Departamento de Física, Universidade Federal do Espírito Santo, Vitória 29075-910, ES (Brazil); Suguihiro, N.M. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil); Litterst, F.J. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil); Institut für Physik der Kondensierten Materie, Technische Universität Braunschweig, 38106 Braunschweig (Germany); Baggio Saitovitch, E. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil)

2014-10-15

Ytterbium and iron-doped ytterbium films were prepared by vapor quenching on Kapton substrates at room temperature. Structural characterization was performed by X-ray diffraction and transmission electron microscopy. The aim was to study the microstructure of pure and iron-doped films and thereby to understand the effects induced by iron incorporation. A coexistence of face centered cubic and hexagonal close packed-like structures was observed, the cubic-type structure being the dominant contribution. There is an apparent thickness dependence of the cubic/hexagonal relative ratios in the case of pure ytterbium. Iron-clusters induce a crystalline texture effect, but do not influence the cubic/hexagonal volume fraction. A schematic model is proposed for the microstructure of un-doped and iron-doped films including the cubic- and hexagonal-like structures, as well as the iron distribution in the ytterbium matrix. - Highlights: • Pure and Fe-doped Yb films have been prepared by vapor condensation. • Coexistence of fcc- and hcp-type structures was observed. • No oxide phases have been detected. • Fe-clustering does not affect the fcc/hcp ratio, but favors a crystalline texture. • A schematic model is proposed to describe microscopically the microstructure.

Morphology-controlled synthesis and novel microwave electromagnetic properties of hollow urchin-like chain Fe-doped MnO2 under 10 T high magnetic field

International Nuclear Information System (INIS)

Yuping, Duan; Jia, Zhang; Hui, Jing; Shunhua, Liu

2011-01-01

Fe-doped MnO 2 with a hollow sea urchin-like ball chain shape was first synthesized under a high magnetic field of 10 T. The formation mechanism was investigated and discussed in detail. The synthesized samples were characterized by XRD, SEM, TEM, EMPA, and vector network analysis. By doping MnO 2 with Fe, the relative complex permittivity of MnO 2 and its corresponding loss tangent clearly decreases, but its relative complex permeability and its corresponding loss tangent markedly increases. Moreover, the theoretically calculated values of reflection loss show that with increasing the Fe content, the as-prepared Fe-doped MnO 2 exhibits good microwave absorption capability. -- Graphical Abstract: Fe-doped MnO 2 with a hollow sea urchin-like ball chain shape was first synthesized in a high magnetic field of 10 T via a simple chemical process. Display Omitted Highlights: → Fe-doped MnO 2 with a hollow sea urchin-like ball chain shape was first synthesized. → We investigated formation mechanism and electromagnetic properties of the Fe-doped MnO 2 . → By doping MnO 2 with Fe, the electromagnetic properties are improved obviously.

Higher Fe{sup 2+}/total Fe ratio in iron doped phosphate glass melted by microwave heating

Energy Technology Data Exchange (ETDEWEB)

Mandal, Ashis K., E-mail: ashis@cgcri.res.in [CSIR-Central Glass and Ceramic Research Institute, 196 Raja S.C. Mullick Road, Kolkata 700032 (India); Sinha, Prasanta K. [CSIR-Central Glass and Ceramic Research Institute, 196 Raja S.C. Mullick Road, Kolkata 700032 (India); Das, Dipankar [UGC-DAE Consortium for Scientific Research, Kolkata 700098 (India); Guha, Chandan [Department of Chemical Engineering, Jadavpur University, Kolkata 700032 (India); Sen, Ranjan [CSIR-Central Glass and Ceramic Research Institute, 196 Raja S.C. Mullick Road, Kolkata 700032 (India)

2015-03-15

Highlights: • Iron doped phosphate glasses prepared using microwave heating and conventional heating under air and reducing atmosphere. • Presence of iron predominantly in the ferrous oxidation state in all the glasses. • Significant concentrations of iron in the ferrous oxidation state on both octahedral and tetrahedral sites in all the glasses. • Ratio of Fe{sup 2+} with total iron is found higher in microwave prepared glasses in comparison to conventional prepared glasses. - Abstract: Iron doped phosphate glasses containing P{sub 2}O{sub 5}–MgO–ZnO–B{sub 2}O{sub 3}–Al{sub 2}O{sub 3} were melted using conventional resistance heating and microwave heating in air and under reducing atmosphere. All the glasses were characterised by UV–Vis–NIR spectroscopy, Mössbauer spectroscopy, thermogravimetric analysis and wet colorimetry analysis. Mössbauer spectroscopy revealed presence of iron predominantly in the ferrous oxidation state on two different sites in all the glasses. The intensity of the ferrous absorption peaks in UV–Vis–NIR spectrum was found to be more in glasses prepared using microwave radiation compared to the glasses prepared in a resistance heating furnace. Thermogravimetric analysis showed increasing weight gain on heating under oxygen atmosphere for glass corroborating higher ratio of FeO/(FeO + Fe{sub 2}O{sub 3}) in glass melted by direct microwave heating. Wet chemical analysis also substantiated the finding of higher ratio Fe{sup +2}/ΣFe in microwave melted glasses. It was found that iron redox ratio was highest in the glasses prepared in a microwave furnace under reducing atmosphere.

Enhanced performance of LiFePO4 through hydrothermal synthesis coupled with carbon coating and cupric ion doping

International Nuclear Information System (INIS)

Pei Bo; Wang Qiang; Zhang Weixin; Yang Zeheng; Chen Min

2011-01-01

Highlights: → Hydrothermal reaction has been adopted to synthesize LiFePO 4 with a narrow size distribution. → LiFePO 4 was modified with carbon coating and cupric cation (Cu 2+ ) doping simultaneously. → Electrochemical properties of LiFePO 4 were improved by carbon coating and cupric cation doping. - Abstract: A hydrothermal reaction has been adopted to synthesize pure LiFePO 4 first, which was then modified with carbon coating and cupric ion (Cu 2+ ) doping simultaneously through a post-heat treatment. X-ray diffraction patterns, transmission electron microscopy and scanning electron microscopy images along with energy dispersive spectroscopy mappings have verified the homogeneous existence of coated carbon and doped Cu 2+ in LiFePO 4 particles with phospho-olivine structure and an average size of 400 nm. The electrochemical performances of the material have been studied by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic charge-discharge measurements. The carbon-coated and Cu 2+ -doped LiFePO 4 sample (LFCu5/C) exhibited an enhanced electronic conductivity of 2.05 x 10 -3 S cm -1 , a specific discharge capacity of 158 mAh g -1 at 50 mA g -1 , a capacity retention of 96.4% after 50 cycles, a decreased charge transfer resistance of 79.4 Ω and superior electrode reaction reversibility. The present synthesis route is promising in making the hydrothermal method more practical for preparation of the LiFePO 4 material and enhancement of electrochemical properties.

Hydrogenation Properties of TiFe Doped with Zirconium

Directory of Open Access Journals (Sweden)

Catherine Gosselin

2015-11-01

Full Text Available The goal of this study was to optimize the activation behaviour of hydrogen storage alloy TiFe. We found that the addition of a small amount of Zr in TiFe alloy greatly reduces the hydrogenation activation time. Two different procedural synthesis methods were applied: co-melt, where the TiFe was melted and afterward re-melted with the addition of Zr, and single-melt, where Ti, Fe and Zr were melted together in one single operation. The co-melted sample absorbed hydrogen at its maximum capacity in less than three hours without any pre-treatment. The single-melted alloy absorbed its maximum capacity in less than seven hours, also without pre-treatment. The reason for discrepancies between co-melt and single-melt alloys was found to be the different microstructure. The effect of air exposure was also investigated. We found that the air-exposed samples had the same maximum capacity as the argon protected samples but with a slightly longer incubation time, which is probably due to the presence of a dense surface oxide layer. Scanning electron microscopy revealed the presence of a rich Zr intergranular phase in the TiFe matrix, which is responsible for the enhanced hydrogenation properties of these Zr-doped TiFe alloys.

Improved high-rate charge/discharge performances of LiFePO{sub 4}/C via V-doping

Energy Technology Data Exchange (ETDEWEB)

Sun, C.S.; Zhou, Z.; Xu, Z.G.; Wang, D.G.; Wei, J.P.; Bian, X.K.; Yan, J. [Institute of New Energy Material Chemistry, Nankai University, Tianjin 300071 (China)

2009-09-05

V-doped LiFePO{sub 4}/C cathode materials were prepared through a carbothermal reduction route. The microstructure was characterized by X-ray diffraction, X-ray photoelectron spectroscopy and scanning electron microscopy. The electrochemical Li{sup +} intercalation performances of V-doped LiFePO{sub 4}/C were compared with those of undoped one through galvanostatic intermittent titration technique, cyclic voltamperometry, and electrochemical impedance spectrum. V-doped LiFePO{sub 4}/C showed a high discharge capacity of {proportional_to}70 mAh g{sup -1} at the rate of 20 C (3400 mA g{sup -1}) at room temperature. The significantly improved high-rate charge/discharge capacity is attributed to the increase of Li{sup +} ion ''effective'' diffusion capability. (author)

Improving the electrochemical properties of nanosized LiFePO4-based electrode by boron doping

International Nuclear Information System (INIS)

Trócoli, Rafael; Franger, Sylvain; Cruz, Manuel; Morales, Julián; Santos-Peña, Jesús

2014-01-01

Highlights: • Thermal treatment of boron phosphate with LiFePO 4 provides electrode materials with high performance in lithium half-cells: 160 mAh·g -1 (90% of theoretical capacity) under C/5 rate • The products are composites containing boron-modified LiFePO 4 , FePO 4 and an amorphous phase with ionic diffusion properties • The boron treatment affects textural, conductive and lithium diffusivity of the electrode material leading to higher performance • A limited boron-doping of the phospholivine structure is observed - Abstract: Electrode materials with homogeneous distribution of boron were obtained by heating mixtures of nanosized carbon-coated lithium iron phosphate and BPO 4 in 3-9% weight at 700 °C. The materials can be described as nanocomposites containing i) LiFePO 4 , possibly doped with a low amount of boron, ii) FePO 4 and iii) an amorphous layer based on Li 4 P 2 O 7 -derived material that surrounds the phosphate particles. The thermal treatment with BPO 4 also triggered changes in the carbon coating graphitic order. Galvanostatic and voltammetric studies in lithium half-cells showed smaller polarisation, higher capacity and better cycle life for the boron-doped composites. For instance, one of the solids, called B 6 -LiFePO 4 , provided close to 150 and 140 mAhg -1 (87% and 81% of theoretical capacity, respectively) under C/2.5 and C regimes after several cycles. Improved specific surface area, carbon graphitization, conductivity and lithium ion diffusivity in the boron-doped phospholivine network account for this excellent rate performance. The properties of an amorphous layer surrounding the phosphate particles also account for such higher performance

Synthesis of Ce(III)-doped Fe{sub 3}O{sub 4} magnetic particles for efficient removal of antimony from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Qi, Zenglu; Joshi, Tista Prasai [Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Ruiping, E-mail: liuruiping@rcees.ac.cn [Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Huijuan [University of Chinese Academy of Sciences, Beijing 100049 (China); State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 (China); Qu, Jiuhui [Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

2017-05-05

Highlights: • Doping of Ce into Fe{sub 3}O{sub 4} was achieved based on a facile solvothermal method. • After doping, the removal capacity was increased by 5 times for “Sb(V)” and 2 times for “Sb(III)”. • Decreasing pH improved adsorption of Sb(V) but decreased adsorption of Sb(III). • Antimony sorption mechanisms on Ce-doped Fe{sub 3}O{sub 4} were illustrated. - Abstract: Aqueous antimony (Sb) pollution from human activity is of great concern in drinking water due to its adverse health effect. Magnetic Fe{sub 3}O{sub 4} particles, with high separation ability from solution, have been considered as a low-cost Sb adsorbent for contaminants. However, the limited adsorption capacity has restricted its practical application. In this study, a solvothermal approach was developed for doping Ce(III) into Fe{sub 3}O{sub 4}, thereby increasing the adsorption efficacy for both Sb(III) and Sb(V). In contrast to un-doped Fe{sub 3}O{sub 4}, the adsorption capacity towards Sb(III) and Sb(V) in Ce-doped materials increased from 111.4 to 224.2 mg/g and from 37.2 to 188.1 mg/g at neutral pH, respectively. Based on the combined results of XPS, XRD, and FTIR, it confirmed that Ce atom successfully doped into the Fe{sub 3}O{sub 4} structure, resulting in the decreased particle size, increased the surface area, and isoelectric point. Furthermore, the vibrating sample magnetometer (VSM) results showed that the Ce doping process had some side effects on the primitive magnetic property, but remaining the high separation potential during water treatment. According to the high removal efficiency and magnetic property, the Ce-doped Fe{sub 3}O{sub 4} of great simplicity should be a promising adsorbent for aqueous Sb removal.

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

Science.gov (United States)

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.

The role of disorder in Fe-doped CMR manganites as explored by μSR spectroscopy

International Nuclear Information System (INIS)

Gutierrez, J.; Bermejo, F.J.; Barandiaran, J.M.; Cottrell, S.P.; Romano, P.; Mondelli, C.; Fernandez Barquin, L.; Pena, A.

2006-01-01

A study on the effect of Fe doping on the magnetic properties of La 0.7 Pb 0.3 Mn 1-x Fe x O x , x=0 and x=0.2 perovskites is conducted using muon spectroscopy and macroscopic static magnetization measurements. For x=0, magnetization curves show a clear ferromagnetic component while a 20% Fe doping leads to the appearance of a kink in zero-field curves at low temperatures, attributed to progressive spin freezing together with a reduction of the ferromagnetic component. On dynamic grounds, we show that this effect translates into the appearance of non-exponential relaxation as T c is crossed from above. d from above

Itinerant magnetism in doped semiconducting β-FeSi₂ and CrSi₂.

Science.gov (United States)

Singh, David J; Parker, David

2013-12-17

Novel or unusual magnetism is a subject of considerable interest, particularly in metals and degenerate semiconductors. In such materials the interplay of magnetism, transport and other Fermi liquid properties can lead to fascinating physical behavior. One example is in magnetic semiconductors, where spin polarized currents may be controlled and used. We report density functional calculations predicting magnetism in doped semiconducting β-FeSi₂ and CrSi₂ at relatively low doping levels particularly for n-type. In this case, there is a rapid cross-over to a half-metallic state as a function of doping level. The results are discussed in relation to the electronic structure and other properties of these compounds.

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

Science.gov (United States)

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.

Dependences on RE of superconducting properties of transition metal co-doped (Ca, RE)FeAs_2 with RE = La–Gd

International Nuclear Information System (INIS)

Yakita, H.; Ogino, H.; Sala, A.; Okada, T.; Yamamoto, A.; Kishio, K.; Iyo, A.; Eisaki, H.; Shimoyama, J.

2015-01-01

Highlights: • We synthesized Co or Ni co-doped (Ca, RE)FeAs_2 with RE = La–Gd. • Co or Ni co-doping improved superconducting properties of all (Ca, RE)FeAs_2 samples. • T_c of (Ca, RE)FeAs_2 decreased with decreasing ionic radii of RE"3"+. • Eu doped samples showed exceptionally low T_c and long interlayer distance. • Long interlayer distance of Eu doped samples suggested co-existence of Eu"2"+ and Eu"3"+. - Abstract: Dependence of superconducting properties of (Ca, RE)(Fe, TM)As_2 [(Ca, RE)112, TM: Co, Ni)] on RE elements (RE = La–Gd) was systematically investigated. Improvement of superconducting properties by Co or Ni co-doping was observed for all (Ca, RE)112, which is similar to Co-co-doped (Ca, La)112 or (Ca, Pr)112. T_c of Co-co-doped samples decreased from 38 K for RE = La to 29 K for RE = Gd with decreasing ionic radii of RE"3"+. However, Co-co-doped (Ca, Eu)112 showed exceptionally low T_c = 21 K probably due to the co-existence of Eu"3"+ and Eu"2"+ suggested by longer interlayer distance d_F_e_–_F_e of (Ca, Eu)112 than other (Ca, RE)112.

Synthesis and characterization of Fe-doped TiO2 photocatalyst by the sol–gel method

International Nuclear Information System (INIS)

Luu, Cam Loc; Ho, Si Thoang; Nguyen, Quoc Tuan

2010-01-01

Thin layers of pure TiO 2 and TiO 2 doped by different amounts of Fe 2 O 3 have been prepared by the sol–gel method with tetraisopropyl orthotitanate and Fe(NO 3 ) 3 . Physico-chemical properties of catalysts were characterized by BET Adsorption, x-ray Diffraction (XRD), FE-SEM, as well as Raman and UV-Vis spectroscopy. The photocatalytic activity of the obtained materials was investigated in the reaction of complete oxidation of p-xylene in gas phase under the radiation of UV (λ=365 nm) and LED (λ=470 nm) lamps. It has been found that the particle size of all samples was distributed in the range 20–30 nm. The content of the rutile phase in Fe-doped TiO 2 samples varied in the range 6.8 to 41.8% depending on the Fe content. Iron oxide doped into TiO 2 enables the photon absorbing zone of TiO 2 to extend from UV towards visible waves as well as to reduce its band gap energy from 3.2 to 2.67 eV. Photocatalytic activities of the TiO 2 samples modified by Fe 3+ have been found to be higher than those of pure TiO 2 by about 2.5 times

Fe/N/C hollow nanospheres by Fe(iii)-dopamine complexation-assisted one-pot doping as nonprecious-metal electrocatalysts for oxygen reduction

Science.gov (United States)

Zhou, Dan; Yang, Liping; Yu, Linghui; Kong, Junhua; Yao, Xiayin; Liu, Wanshuang; Xu, Zhichuan; Lu, Xuehong

2015-01-01

In this work, a series of hollow carbon nanospheres simultaneously doped with N and Fe-containing species are prepared by Fe3+-mediated polymerization of dopamine on SiO2 nanospheres, carbonization and subsequent KOH etching of the SiO2 template. The electrochemical properties of the hollow nanospheres as nonprecious-metal electrocatalysts for oxygen reduction reaction (ORR) are characterized. The results show that the hollow nanospheres with mesoporous N-doped carbon shells of ~10 nm thickness and well-dispersed Fe3O4 nanoparticles prepared by annealing at 750 °C (Fe/N/C HNSs-750) exhibit remarkable ORR catalytic activity comparable to that of a commercial 20 wt% Pt/C catalyst, and high selectivity towards 4-electron reduction of O2 to H2O. Moreover, it displays better electrochemical durability and tolerance to methanol crossover effect in an alkaline medium than the Pt/C. The excellent catalytic performance of Fe/N/C HNSs-750 towards ORR can be ascribed to their high specific surface area, mesoporous morphology, homogeneous distribution of abundant active sites, high pyridinic nitrogen content, graphitic nitrogen and graphitic carbon, as well as the synergistic effect of nitrogen and iron species for catalyzing ORR.In this work, a series of hollow carbon nanospheres simultaneously doped with N and Fe-containing species are prepared by Fe3+-mediated polymerization of dopamine on SiO2 nanospheres, carbonization and subsequent KOH etching of the SiO2 template. The electrochemical properties of the hollow nanospheres as nonprecious-metal electrocatalysts for oxygen reduction reaction (ORR) are characterized. The results show that the hollow nanospheres with mesoporous N-doped carbon shells of ~10 nm thickness and well-dispersed Fe3O4 nanoparticles prepared by annealing at 750 °C (Fe/N/C HNSs-750) exhibit remarkable ORR catalytic activity comparable to that of a commercial 20 wt% Pt/C catalyst, and high selectivity towards 4-electron reduction of O2 to H2O

Highly selective manganese-doped zinc sulfide quantum dots based label free phosphorescent sensor for phosphopeptides in presence of zirconium (IV).

Science.gov (United States)

Gong, Yan; Fan, Zhefeng

2015-04-15

We report a room-temperature phosphorescence (RTP) sensor for phosphopeptides based on zirconium (IV)-modulated mercaptopropionic acid (MPA)-capped Mn-doped ZnS quantum dots (QDs). This sensor incorporates the advantages of the well-known Zr(4+)-phosphopeptide affinity pair and the RTP properties of doped QDs. The RTP of Mn-doped ZnS QDs capped with MPA can be effectively quenched by Zr(4+). The high affinity of phosphopeptides to Zr(4+) enables the dissociation of the ion from the surface of MPA-capped ZnS QDs, thereby forming a stable complex with phosphopeptides in the solution, and recovering the RTP of the QDs. The Zr(4+)-induced RTP quenching and subsequent phosphopeptide-induced RTP recovery for MPA-capped ZnS QDs provide a solid basis for the present RTP sensor based on QDs for the detection of phosphopeptides. The detection limit for phosphopeptides is 0.9ngmL(-1), the relative standard deviations is 2.5%, and the recovery of urine and serum samples with phosphopeptides addition rangs from 96% to 105% at optimal conditions. The proposed method was successfully applied to biological fluids and obtained satisfactory results. Copyright © 2014 Elsevier B.V. All rights reserved.

Photoluminescence and Raman studies for the confirmation of oxygen vacancies to induce ferromagnetism in Fe doped Mn:ZnO compound

Energy Technology Data Exchange (ETDEWEB)

Das, J., E-mail: jayashree304@gmail.com [Department of Physics, Silicon Institute of Technology, Bhubaneswar 751024, Odisha (India); Department of Physics, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710 (South Africa); Mishra, D.K. [Department of Physics, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710 (South Africa); Department of Physics, Institute of Technical Education and Research, Siksha ‘O’ Anusandhan University, Khandagiri Square, Bhubaneswar 751030, Odisha (India); Srinivasu, V.V. [Department of Physics, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710 (South Africa); Sahu, D.R. [Amity Institute of Nanotechnology, Amity University, Noida (India); Roul, B.K. [Institute of Materials Science, Planetarium Building, Acharya Vihar, Bhubaneswar, Odisha (India)

2015-05-15

With a motivation to compare the magnetic property, we synthesised undoped, transition metal (TM) Mn doped and (Mn:Fe) co-doped ZnO ceramics in the compositions ZnO, Zn{sub 0.98}Mn{sub 0.02}O and Zn{sub 0.96}(Mn{sub 0.02}Fe{sub 0.02})O. Systematic investigations on the structural, microstructural, defect structure and magnetic properties of the samples were performed. Low temperature as well as room temperature ferromagnetism has been observed for all our samples, however, enhanced magnetisation at room temperature has been noticed when ZnO is co-doped with Fe along with Mn. Particularly the sample with the composition Zn{sub 0.96}Mn{sub 0.02}Fe{sub 0.02}O showed a magnetisation value more than double of the sample with composition Zn{sub 0.98}Mn{sub 0.02}O, indicating long range strong interaction between the magnetic impurities leading to higher ferromagnetic ordering. Raman and PL studies reveal presence of higher defects in form of oxygen vacancy clusters created in the sample due to Fe co doping. PL study also reveals enhanced luminescence efficiency in the co doped sample. Temperature dependent magnetisation study of this sample shows the spin freezing temperature around 39 K indicating the presence of small impurity phase of Mn{sub 2−x}Zn{sub x}O{sub 3} type. Electron Spin Resonance signal obtained supports ferromagnetic state in the co doped sample. Enhancement of magnetisation is attributed to interactions mediated by magnetic impurities through large number of oxygen vacancies created by Fe{sup 3+} ions forming bound magnetic polarons (BMP) and facilitating long range ferromagnetic ordering in the co- doped system. - Highlights: • Comparison of magnetic property of ZnO, Zn{sub 0.98}Mn {sub 0.02}O and Zn{sub 0.96}(Mn{sub 0.02}Fe{sub 0.02})O. • Observation of enhanced magnetisation at room temperature in (Mn,Fe) doped ZnO. • Raman and PL studies reveal presence of higher oxygen vacancy clusters. • Electron Spin Resonance signal supports

Nickel doping effect on resistance to movement of edge dislocations in. cap alpha. -Fe

Energy Technology Data Exchange (ETDEWEB)

Brovkov, V.A.; Dudarev, E.F. (Tomskij Gosudarstvennyj Univ. (USSR). Sibirskij Fiziko-Tekhnicheskij Inst.)

1984-03-01

Microplastic deformation of ..cap alpha..-Fe polycrystals and Fe-Ni solid solutions is studied. Data on the concentration and temperature dependences of resistance to movement of edge dislocation at the expense of elastic interaction with atoms of the doping element are obtained.

Ferromagnetism in Fe-doped ZnO Nanocrystals: Experimental and Theoretical investigations

OpenAIRE

Karmakar, Debjani; Mandal, S. K.; Kadam, R. M.; Paulose, P. L.; Rajarajan, A. K.; Nath, T. K.; Das, A. K.; Dasgupta, I.; Das, G. P.

2007-01-01

Fe-doped ZnO nanocrystals are successfully synthesized and structurally characterized by using x-ray diffraction and transmission electron microscopy. Magnetization measurements on the same system reveal a ferromagnetic to paramagnetic transition temperature > 450 K with a low-temperature transition from ferromagnetic to spin-glass state due to canting of the disordered surface spins in the nanoparticle system. Local magnetic probes like EPR and Mossbauer indicate the presence of Fe in both v...

Synthesis and characterization of Fe3+ doped TiO2 nanoparticles and films and their performance for photocurrent response under UV illumination

International Nuclear Information System (INIS)

Elghniji, Kais; Atyaoui, Atef; Livraghi, Stefano; Bousselmi, Latifa; Giamello, Elio; Ksibi, Mohamed

2012-01-01

Graphical abstract: Schematic diagram illustrating the charge transfer from excited TiO 2 to the different states of Fe 3+ ions; C B and V B refer to the energy levels of the conduction and valence bands of TiO 2 , respectively. Highlights: ► In this study we examine the Iron as catalyst precursor to synthesize the Fe 3+ doped TiO 2 nanoparticles. ► The Fe 3+ doped TiO 2 catalysts show the presence of a mixed phase of anatase. ► The iron is completely absent in the XRD pattern of the doped iron TiO 2 powder. ► The analysis of EPR result further confirms that Fe 3+ ion are successfully doped in the TiO 2 lattice by substituting Ti 4+ . ► Fe 3+ doping can efficiently separate the photo-generated electrons and holes. - Abstract: Undoped TiO 2 and Fe 3+ doped (0.1, 0.3, 0.6 and 1 wt.%) TiO 2 nanoparticles have been synthesized by the acid-catalyzed sol–gel method. Iron cations are introduced in the initial solution, before gelification, what promotes their lattice localization. The Fe 3+ doped TiO 2 films have been fabricated using a dip-coating technique. The effect of iron content on the crystalline structure, phase transformation and grain growth were determined by X-ray diffraction (XRD), Raman spectroscopy, UV–visible diffused reflectance spectroscopy (DRS) and Electron paramagnetic resonance (EPR) spectroscopy. It has demonstrated that all catalysts are composed of mixed-phase crystals of anatase and brookite with anatase as dominant phase. The crystallinity of the brookite and anatase phases decreased with increasing the iron content. The analysis of EPR result further confirms that Fe 3+ ion are successfully doped in the TiO 2 lattice by substituting Ti 4+ . It was demonstrated that Fe 3+ ion in the TiO 2 films plays a role as the intermediate for the efficient separation of photogenerated hole–electron pairs and increases the photocurrent response of the film under UV light irradiation. The maximum photocurrent is obtained on the Fe 3+ doped Ti

Preparation of Fe-doped TiO{sub 2} nanotube arrays and their photocatalytic activities under visible light

Energy Technology Data Exchange (ETDEWEB)

Tu, Ya-Fang; Huang, Sheng-You [Department of Physics, Wuhan University, Wuhan 430072 (China); Sang, Jian-Ping, E-mail: jpsang@acc-lab.whu.edu.cn [Department of Physics, Wuhan University, Wuhan 430072 (China); Department of Physics, Jianghan University, Wuhan 430056 (China); Zou, Xian-Wu [Department of Physics, Wuhan University, Wuhan 430072 (China)

2010-02-15

Fe-doped TiO{sub 2} nanotube arrays have been prepared by the template-based liquid phase deposition method. Their morphologies, structures and optical properties were investigated by scanning electron microscopy, transmission electron microscopy, X-ray diffraction and UV-vis absorption spectroscopy. Their photocatalytic activities were evaluated by the degradation of methylene blue under visible light. The UV-vis absorption spectra of the Fe-doped TiO{sub 2} nanotube arrays showed a red shift and an enhancement of the absorption in the visible region compared to the undoped sample. The Fe-doped TiO{sub 2} nanotube arrays exhibited good photocatalytic activities under visible light irradiation, and the optimum dopant amount was found to be 5.9 at% in our experiments.

Starch-assisted synthesis and optical properties of ZnS nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Tian, Xiuying, E-mail: xiuyingt@yahoo.com; Wen, Jin; Wang, Shumei; Hu, Jilin; Li, Jing; Peng, Hongxia

2016-05-15

Highlights: • ZnS spherical nanostructure was prepared via starch-assisted method. • The crystalline lattice structure, morphologies, chemical and optical properties of ZnS nanoparticles. • The forming mechanism of ZnS nanoparticles. • ZnS spherical nano-structure can show blue emission at 460–500 nm. - Abstract: ZnS nanoparticles are fabricated via starch-assisted method. The effects of different starch amounts on structure and properties of samples are investigated, and the forming mechanism of ZnS nanoparticles is discussed. By X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) and selected area electron diffraction (SAED), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), ultraviolet–visible (UV–vis) spectroscopy and fluorescence (FL) spectrometer, their phases, crystalline lattice structure, morphologies, chemical and optical properties are characterized. The results show that ZnS has polycrystalline spherical structure with the mean diameter of 130 nm. Sample without starch reveals irregular aggregates with particle size distribution of 0.5–2 μm. The band gap value of ZnS is 3.97 eV. The chemical interaction exists between starch molecules and ZnS nanoparticles by hydrogen bonds. The stronger FL emission peaks of ZnS synthesized with starch, indicate a larger content of sulfur vacancies or defects than ZnS synthesized without starch.

Starch-assisted synthesis and optical properties of ZnS nanoparticles

International Nuclear Information System (INIS)

Tian, Xiuying; Wen, Jin; Wang, Shumei; Hu, Jilin; Li, Jing; Peng, Hongxia

2016-01-01

Highlights: • ZnS spherical nanostructure was prepared via starch-assisted method. • The crystalline lattice structure, morphologies, chemical and optical properties of ZnS nanoparticles. • The forming mechanism of ZnS nanoparticles. • ZnS spherical nano-structure can show blue emission at 460–500 nm. - Abstract: ZnS nanoparticles are fabricated via starch-assisted method. The effects of different starch amounts on structure and properties of samples are investigated, and the forming mechanism of ZnS nanoparticles is discussed. By X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) and selected area electron diffraction (SAED), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), ultraviolet–visible (UV–vis) spectroscopy and fluorescence (FL) spectrometer, their phases, crystalline lattice structure, morphologies, chemical and optical properties are characterized. The results show that ZnS has polycrystalline spherical structure with the mean diameter of 130 nm. Sample without starch reveals irregular aggregates with particle size distribution of 0.5–2 μm. The band gap value of ZnS is 3.97 eV. The chemical interaction exists between starch molecules and ZnS nanoparticles by hydrogen bonds. The stronger FL emission peaks of ZnS synthesized with starch, indicate a larger content of sulfur vacancies or defects than ZnS synthesized without starch.

Sulphur mustard degradation on zirconium doped Ti-Fe oxides

Energy Technology Data Exchange (ETDEWEB)

Stengl, Vaclav, E-mail: stengl@iic.cas.cz [Department of Solid State Chemistry, Institute of Inorganic Chemistry AS CR v.v.i 250 68 Husinec-Rez (Czech Republic); Grygar, Tomas Matys [Department of Solid State Chemistry, Institute of Inorganic Chemistry AS CR v.v.i 250 68 Husinec-Rez (Czech Republic); Oplustil, Frantisek; Nemec, Tomas [Military Technical Institute of Protection Brno Veslarska 230, 628 00 Brno (Czech Republic)

2011-09-15

Highlights: {yields} New stechiometric materials for sulphur mustard degradation. {yields} High degree of degradation, more then 95% h{sup -1}. {yields} One-pot synthesis procedure. - Abstract: Zirconium doped mixed nanodispersive oxides of Ti and Fe were prepared by homogeneous hydrolysis of sulphate salts with urea in aqueous solutions. Synthesized nanodispersive metal oxide hydroxides were characterised as the Brunauer-Emmett-Teller (BET) surface area and Barrett-Joiner-Halenda porosity (BJH), X-ray diffraction (XRD), infrared (IR) spectroscopy, scanning electron microscopy (SEM) with energy-dispersive X-ray (EDX) microanalysis, and acid-base titration. These oxides were taken for an experimental evaluation of their reactivity with sulphur mustard (chemical warfare agent HD or bis(2-chloroethyl)sulphide). The presence of Zr{sup 4+} dopant tends to increase both the surface area and the surface hydroxylation of the resulting doped oxides in such a manner that it can contribute to enabling the substrate adsorption at the oxide surface and thus accelerate the rate of degradation of warfare agents. The addition of Zr{sup 4+} to the hydrolysis of ferric sulphate with urea shifts the reaction route and promotes formation of goethite at the expense of ferrihydrite. We discovered that Zr{sup 4+} doped oxo-hydroxides of Ti and Fe exhibit a higher degradation activity towards sulphur mustard than any other yet reported reactive sorbents. The reaction rate constant of the slower parallel reaction of the most efficient reactive sorbents is increased with the increasing amount of surface base sites.

Effect of Nd-doping on structure and microwave electromagnetic properties of BiFeO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Liu, Sheng [School of Physics and Electronics, Institute of Super-microstructure and Ultrafast Process in Advanced Materials, Central South University, Changsha 410083 (China); Luo, Heng [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China); Yan, Shuoqing; Yao, Lingling; He, Jun; Li, Yuhan; He, Longhui; Huang, Shengxiang; Deng, Lianwen [School of Physics and Electronics, Institute of Super-microstructure and Ultrafast Process in Advanced Materials, Central South University, Changsha 410083 (China)

2017-03-15

The single-phase Bi{sub 1-x}Nd{sub x}FeO{sub 3} (x=0, 0.05, 0.10, 0.15, 0.20) were synthesized by the sol-gel method. Their crystal structure and microwave electromagnetic property in the frequency range of 2–18 GHz were investigated. The XRD patterns and Raman spectra showed that structural transition from rhombohedral (x=0, 0.05, 0.1) to triclinic (x=0.15) and tetragonal structure (x=0.20) appeared in the Bi{sub 1-x}Nd{sub x}FeO{sub 3}. Electromagnetic measurement suggested that both microwave permeability μ′ and magnetic loss tanδ{sub m} increased remarkably over 2–18 GHz by doping Nd. Strong dielectric loss peak was observed on the samples of Bi{sub 1-x}Nd{sub x}FeO{sub 3} (x=0.15) and Bi{sub 1-x}Nd{sub x}FeO{sub 3} (x=0.2). Results show that Nd substitution is an effective way to push BiFeO{sub 3} to become microwave absorbing materials with high performance. - Highlights: • Single-phase Bi{sub 1-x}Nd{sub x}FeO{sub 3} samples were prepared by a sol-gel method. • Strong dielectric loss peak was observed in BiFeO{sub 3} with high doping content. • Significant enhancement of microwave absorption property was found in Nd-doped BiFeO{sub 3}.

Monte Carlo simulations of magnetic order in Fe-doped manganites

International Nuclear Information System (INIS)

Alonso, J.; Gutierrez, J.; Barandiaran, J.M.; Bermejo, F.J.; Brey, L.

2008-01-01

The effect of Fe doping on the magnetic properties of La 0.7 Pb 0.3 Mn 1-x Fe x O 3 (x=0, 0.05, 0.1, 0.15 and 0.2) manganites is studied by the Monte Carlo simulation technique. As a first approximation, by means of a simple Heisenberg Hamiltonian, experimental normalized magnetizations at low temperatures have been reproduced for concentrations of Fe (x<0.2), but the calculated order temperatures show a large deviation from the measured ones. This shortcoming can be corrected by using a one electron effective hopping semi-classical Hamiltonian, with a simplified expression for the kinetic energy of the free electrons, which also avoids time-consuming diagonalizations

Electronic correlations in hole- and electron-doped Fe-based superconductors

Science.gov (United States)

Hardy, Frederic; Boehmer, Anna; Schweiss, Peter; Wolf, Thomas; Heid, Rolf; Eder, Robert; Fisher, Robert A.; Meingast, Christoph

2015-03-01

High-temperature superconductivity in the cuprates occurs at the crossover from a highly-correlated Mott insulating state to a weaker correlated Fermi liquid as a function of hole doping. The iron pnictides were initially thought to be fairly weakly correlated. However, we have recently shown using transport and thermodynamic measurements that KFe2As2 is strongly correlated. Both the Sommerfeld coefficient and the Pauli susceptibility are strongly enhanced with respect to their bare DFT values. These correlations are even further enhanced in RbFe2As2andCsFe2As2. The temperature dependence of both the susceptibility and the thermal expansion provides strong experimental evidence for the existence of a coherence-incoherence crossover; similar to what is found in heavy-fermion compounds. Whereas the correlations in the cuprates result from a large value of the Hubbard U, recent works have stressed the particular relevance of Hund's coupling in the pnictides. Our data may be interpreted in terms of a close proximity of KFe2As2 to an orbital-selective Mott transition. We now have good thermodynamic data covering both the hole and electron sides of the BaFe2As2 system and we will discuss how these correlations are modified by doping.

Magnesium doping on brownmillerite Ca2FeAlO5

International Nuclear Information System (INIS)

Malveiro, J.; Ramos, T.; Ferreira, L.P.; Waerenborgh, J.C.; Nunes, M.R.; Godinho, M.; Carvalho, M.D.

2007-01-01

Ca 2 FeAl 1- x Mg x O 5 (x=0, 0.05 and 0.1) compounds adopting the brownmillerite-type structure were prepared by a self-combustion route using two different fuels. Characterisation was performed using X-ray powder diffraction, Moessbauer spectroscopy, magnetisation measurements, chemical analysis, scanning electron microscopy and 4-point dc conductivity measurements. Global results indicate that the solubility limit was reached for x=0.1. An antiferromagnetic behaviour was detected for all studied compositions, with magnetic ordering temperatures of 340 and 290 K for x=0 and 0.05, respectively. Mg doping increases the number of iron cations in tetrahedral sites, which induces magnetisation enhancement at low temperatures through the coupling between octahedral iron cations in different octahedral planes. The compounds exhibit semiconductor behaviour and Mg 2+ doping yields a significant enhancement of the total conductivity, which can be essentially attributed to the presence of Fe 4+ ions. - Graphical abstract: Ca 2 FeAl 1- x Mg x O 5 (x=0, 0.05, 0.1) compounds with the brownmillerite structure were prepared and characterised. The paramagnetic Moessbauer spectra presented were obtained at T=363 K (x=0); T=297 K (x=0.05) and T=353 K (x=0.1)

First principles study on Mn-doped LiFePO4 as cathode material for rechargeable lithium batteries

Institute of Scientific and Technical Information of China (English)

Fang-wei; XUE; Wei-dong; WANG; Ming-xi; SU; Rong

2007-01-01

The electronic structure and diffusion energy barriers of Li ions in pure and Mn-doped LiFePO4 have been studied using density functional theory (DFT). The results demonstrate clearly that Fe-O covalent bond is weaker than P-O covalent bond. Pure LiFePO4 has band gap of 0.56 eV and diffusion energy barrier of 2.57 eV for Li ions, while the dopant has small band gap of 0.25 eV and low diffusion energy barrier of 2.31 eV, which indicates that the electronic and ionic conductivity of LiFePO4 have been improved owing to doping.

Oxygen vacancy and Moessbauer parameters of Fe doped tin oxides

International Nuclear Information System (INIS)

Nomura, K.; Mudarra Navarro, A.M.; Errico, L.; Rodriguez Torres, C.E.

2013-01-01

It is not clear what the local environment of Fe ions included in rutile structure is. In order to clarify this point, Moessbauer parameters of 57 Fe doped SnO 2 are compared with the results of ab initio calculation taking into account different configurations of iron and oxygen vacancy in the rutile structure of SnO 2 . Calculations were performed using the LAPW+lo method (Wien2k); RMT x Kmax = 7, A mesh of 50 k-points at IBZ, 2x2x2 super cell of SnO 2 . (J.P.N.)

The effect of Ni and Fe doping on YBCO powder prepared by sol gel method

Directory of Open Access Journals (Sweden)

F Saeb

2009-08-01

Full Text Available  We fabricated YBa2Cu3-xMxO7- d (M=Ni, Fe bulk samples, with stochiometric amount 0≤x≤0.045 by sol-gel method. The phase analysis and microstructure of specimens were examined by XRD and SEM. The electrical resistivity was measured using standard four probe technique for 77-300K. Investigation of XRD spectrum by MAUD shows Ni and Fe ions substitute in Cu(2 and Cu(1 site, respectively. Transition temperature decreases in 93-87K for Ni-doped samples and 93-92K for Fe-doped series. It seems that the suppression of superconductivity has no direct correlation with the magnetism of ions itself .

Doping effect on the physical properties of Ca10Pt3As8(Fe2As2)5 single crystals

Science.gov (United States)

Pan, Jiayun; Karki, Amar; Plummer, E. W.; Jin, Rongying

2017-12-01

Ca10Pt3As8(Fe2As2)5 is a unique parent compound for superconductivity, which consists of both semiconducting Pt3As8 and metallic FeAs layers. We report the observation of superconductivity induced via chemical doping in either Ca site using rare-earth (RE) elements (RE  =  La, Gd) or Fe site using Pt. The interlayer distance and the normal-state physical properties of the doped system change correspondingly. The coupled changes include (1) superconducting transition temperature T c increases with increasing both doping concentration and interlayer distance, (2) our T c value is higher than previously reported maximum value for Pt doping in the Fe site, (3) both the normal-state in-plane resistivity and out-of-plane resistivity change from non-metallic to metallic behavior with increasing doping concentration and T c, and (4) the transverse in-plane magnetoresistance (MRab) changes from linear-field dependence to quadratic behavior upon increasing T c. For La-doped compound with the highest T c (~35 K), upper critical fields (Hc2ab , Hc2c ), coherence lengths (ξ ab, ξ c), and in-plane penetration depth (λ ab) are estimated. We discuss the relationship between chemical doping, interlayer distance, and physical properties in this system.

Study of cerium doped magnetite (Fe 3O 4:Ce)/PMMA nanocomposites

Science.gov (United States)

Padalia, Diwakar; Johri, U. C.; Zaidi, M. G. H.

2012-03-01

The paper presents the synthesis and properties of polymer nanocomposite material based on cerium doped magnetite (Fe 3O 4) as filler material and poly methyl methacrylate (PMMA) as host matrix. The magnetite (Fe 3O 4) particles were synthesized by co-precipitation route using stable ferrous and ferric salts with ammonium hydroxide as precipitating agent. Further, they doped by cerium oxide (CeO 2) non-stoichiometrically. The composite material was fabricated by solvent evaporation method. Here 2.4 GHz microwaves were used to study the effect of microwaves heating on polymerization. The phase and crystal structure is determined by X-ray diffraction (XRD). The average crystallite size of the composites varies from 28 to 35 nm. The chemical structure is confirmed by Fourier transform infrared (FTIR) spectroscopy. The magnetic and thermal properties are investigated by vibrating sample magnetometer (VSM) and differential scanning calorimetry (DSC). The thermal study shows that the microwave heated samples possess higher glass transition temperature ( Tg). The magnetic results suggest that coercivity ( HC) and squareness ( Mr/ Ms) of the loop increases with increasing doping percent of cerium.

Moessbauer study of LaFeAsO and F-doped superconductors in external magnetic fields

International Nuclear Information System (INIS)

Kitao, S; Kobayashi, Y; Higashitaniguchi, S; Kurokuzu, M; Saito, M; Seto, M; Mitsui, T; Kamihara, Y; Hirano, M; Hosono, H

2010-01-01

The iron-based F-doped superconductors LaFeAsO 1-x F x with a transition temperature of 24 K (for x = 0.07) and 26 K (x = 0.11) and its parent material LaFeAsO were studied using 57 Fe Moessbauer spectroscopy. Further investigation was carried out by applying external magnetic fields. F-doped superconductors showed a singlet pattern with no magnetic splitting throughout the temperature range from 4.2 to 298 K. On the other hand, magnetically-split spectra were observed in the parent LaFeAsO below the Neel temperature of about 140 K. The internal magnetic field reached 5.3 T at 4.2 K. The external magnetic fields up to 14 T were applied to the singlet phases, F-doped superconductors and the parent LaFeAsO above the Neel temperature. The induced magnetically-split spectra showed the internal magnetic fields with the comparable value to the applied fields. This fact confirmed that these singlet phases have the paramagnetic feature. The magnetic fields were also applied to the magnetically-ordered phase of LaFeAsO below the Neel temperature. The evolution of the spectra depending on the external magnetic fields was clearly explained by a model with two sublattice spins of the powdered antiferromagnet. This fact confirmed the magnetically-ordered phase is an antiferromagnet. The spin-flop field was also estimated by the model as about 26 T.

H+ irradiation effect in Co-doped BaFe2As2 single crystals

International Nuclear Information System (INIS)

Nakajima, Y.; Tsuchiya, Y.; Taen, T.; Tamegai, T.; Kitamura, H.; Murakami, T.

2011-01-01

The effect of H + irradiation on the suppression of Tc in Co-doped BaFe 2 As 2 . H + irradiation introduces nonmagnetic scattering centers. Critical Scattering rate is much higher than that expected in s±-pairing scenario. We report the suppression of the critical temperature T c in single crystalline Ba(Fe 1-x Co x ) 2 As 2 at under-, optimal-, and over-doping levels by 3 MeV proton irradiation. T c decreases and residual resistivity increases monotonically with increasing the dose. The low-temperature resistivity does not show the upturn in contrast with the α-particle irradiated NdFeAs(O,F), which suggests that proton irradiation introduces nonmagnetic scattering centers. Critical scattering rates for all samples obtained by three different ways are much higher than that expected in s±-pairing scenario based on inter-band scattering due to antiferro-magnetic spin fluctuations.

CO{sub 2} capture in Mg oxides doped with Fe and Ni; Captura de CO{sub 2} en oxidos de Mg dopados con Fe y Ni

Energy Technology Data Exchange (ETDEWEB)

Sanchez S, I. F.

2016-07-01

In this work the CO{sub 2} capture-desorption characteristics in Mg oxides doped with Fe and Ni obtained by the direct oxidation of Mg-Ni and Mg-Fe mixtures are presented. Mixtures of Mg-Ni and Mg-Fe in a different composition were obtained by mechanical milling in a Spex-type mill in a controlled atmosphere of ultra high purity argon at a weight / weight ratio of 4:1 powder using methanol as a lubricating agent, for 20 h. The powders obtained by mechanical milling showed as main phase, the Mg with nanocrystalline structure. Subsequently, the mixtures of Mg-Ni and Mg-Fe were oxidized within a muffle for 10 min at 600 degrees Celsius. By means of X-ray diffraction analysis, the Mg O with nano metric grain size was identified as the main phase, which was determined by the Scherrer equation. In the Mg O doped with Ni, was identified that as the Ni amount 1 to 5% by weight dispersed in the Mg O matrix was increased, the main peak intensity of the Ni phase increased, whereas in the Mg O doped with Fe was observed by XRD, that the Fe{sub 2}O{sub 3} phase was present and by increasing the amount of Fe (1 to 5% by weight) dispersed in the crystalline phase of Mg O, the intensity of this impurity also increased. Sem-EDS analysis showed that the Ni and Fe particles are dispersed homogeneously in the Mg O matrix, and the particles are porous, forming agglomerates. Through energy dispersive spectroscopy analysis, the elemental chemical composition obtained is very close to the theoretical composition. The capture of CO{sub 2} in the Mg O-1% Ni was carried out in a Parr reactor at different conditions of pressure, temperature and reaction time. Was determined that under the pressure of 0.2 MPa at 26 degrees Celsius for 1 h of reaction, the highest CO{sub 2} capture of 7.04% by weight was obtained, while in Mg O-1% Fe the CO{sub 2} capture was 6.32% by weight. The other magnesium oxides doped in 2.5 and 5% by weight Ni and Fe showed lower CO{sub 2} capture. The different stages

Theoretical investigation of electronic, magnetic and optical properties of Fe doped GaN thin films

International Nuclear Information System (INIS)

Salmani, E.; Mounkachi, O.; Ez-Zahraouy, H.; Benyoussef, A.; Hamedoun, M.; Hlil, E.K.

2013-01-01

Highlights: •Magnetic and optical properties Fe-doped GaN thin films are studied using DFT. •The band gaps of GaN thin films are larger than the one of the bulk. •The layer thickness and acceptor defect can switch the magnetic ordering. -- Abstract: Using first principles calculations based on spin-polarized density functional theory, the magnetic and optical properties of GaN and Fe-doped GaN thin films with and without acceptor defect is studied. The band structure calculations show that the band gaps of GaN thin films with 2, 4 and 6 layers are larger than the one of the bulk with wurtzite structure and decreases with increasing the film thickness. In Fe doped GaN thin films, we show that layer of thickness and acceptor defect can switch the magnetic ordering from disorder local moment (DLM) to ferromagnetic (FM) order. Without acceptor defect Fe doped GaN exhibits spin glass phase in 4 layers form and ferromagnetic state for 2 layers form of the thin films, while it exhibits ferromagnetic phase with acceptor defect such as vacancies defect for 2 and 4 layers. In the FM ordering, the thin films is half-metallic and is therefore ideal for spin application. The different energy between ferromagnetic state and disorder local moment state was evaluated. Moreover, the optical absorption spectra obtained by ab initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities

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

Science.gov (United States)

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.

Electric modulation of conduction in multiferroic Ca-doped BiFeO3 films

Science.gov (United States)

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.

First-principles investigation of Fe-doped MgSiO3-ilmenite

International Nuclear Information System (INIS)

Stashans, Arvids; Rivera, Krupskaya; Pinto, Henry P.

2012-01-01

First principles density functional theory and generalised gradient approximation (GGA) have been exploited to investigate Fe-doped ilmenite-type MgSiO 3 mineral. Strong electron correlation effects not included in a density-functional formalism are described by a Hubbard-type on-site Coulomb repulsion (the DFT+U approach). Microstructure of equilibrium geometries, electronic band structures as well as magnetic properties are computed and discussed in detail. Hartree-Fock methodology is used as an extra tool to study optical properties of the same system. For equilibrium state of the doped mineral we find zigzag-type atomic rearrangements around the Fe impurity. The inclusion of correlation effects leads to an improved description of the electronic properties. In particular, it is discovered that Fe incorporation produces local energy levels within the band-gap of the material. Using ΔSCF method optical absorption energies are found to be equal to 2.2 and 2.6 eV leading to light absorption at longer wavelengths compared to the undoped MgSiO 3 . Our results provide evidence on the occurrence of local magnetic moment in the region surrounding iron dopant. According to the outcomes, the Fe⇒Mg reaction can be described as substitutionally labile with Fe 2+ complex being found in the high-spin state at low pressure MgSiO 3 -ilmenite conditions.

First-principles investigation of Fe-doped MgSiO{sub 3}-ilmenite

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Rivera, Krupskaya [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Escuela de Geologia y Minas, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Pinto, Henry P. [Interdisciplinary Center for Nanotoxicity, Department of Chemistry, Jackson State University, Jackson, Mississippi 39217-0510 (United States)

2012-06-15

First principles density functional theory and generalised gradient approximation (GGA) have been exploited to investigate Fe-doped ilmenite-type MgSiO{sub 3} mineral. Strong electron correlation effects not included in a density-functional formalism are described by a Hubbard-type on-site Coulomb repulsion (the DFT+U approach). Microstructure of equilibrium geometries, electronic band structures as well as magnetic properties are computed and discussed in detail. Hartree-Fock methodology is used as an extra tool to study optical properties of the same system. For equilibrium state of the doped mineral we find zigzag-type atomic rearrangements around the Fe impurity. The inclusion of correlation effects leads to an improved description of the electronic properties. In particular, it is discovered that Fe incorporation produces local energy levels within the band-gap of the material. Using {Delta}SCF method optical absorption energies are found to be equal to 2.2 and 2.6 eV leading to light absorption at longer wavelengths compared to the undoped MgSiO{sub 3}. Our results provide evidence on the occurrence of local magnetic moment in the region surrounding iron dopant. According to the outcomes, the Fe Rightwards-Double-Arrow Mg reaction can be described as substitutionally labile with Fe{sup 2+} complex being found in the high-spin state at low pressure MgSiO{sub 3}-ilmenite conditions.

Magnetic and superconducting properties of Ir-doped EuFe2As2

International Nuclear Information System (INIS)

B Paramanik, U; Hossain, Z; L Paulose, P; Ramakrishnan, S; K Nigam, A; Geibel, C

2014-01-01

The magnetic and superconducting properties of 14% Ir-doped EuFe 2 As 2 are studied by means of dc and ac magnetic susceptibilities, electrical resistivity, specific heat and 151 Eu and 57 Fe Mössbauer spectroscopy (MS) measurements. Doping of Ir in EuFe 2 As 2 suppresses the Fe spin density wave transition and in turn gives rise to high temperature superconductivity below 22.5 K with a reentrant feature at lower temperature. Magnetization and 151 Eu Mössbauer data indicate that the Eu 2+ spins order magnetically below 18 K. 57 Fe MS studies show a line broadening in the absorption spectra below 18 K due to transferred hyperfine field from the magnetically ordered Eu sublattices. A pronounced λ-shape peak in the specific heat supports a second-order phase transition of Eu 2+ magnetic ordering with a strong ferromagnetic component, as confirmed by the magnetic field dependences of the transition. For a single crystal, the in-plane resistivity (ρ ab ) and out-of-plane susceptibility (χ c ) show superconducting transitions with zero resistance and diamagnetism, respectively. But the in-plane susceptibility (χ ab ) does not show any diamagnetic shielding against external fields. The observed non-zero resistance in the temperature range 10–17.5 K, below the superconducting transition temperature, suggests the possible existence of a spontaneous vortex state in this superconductor. (papers)

Tuning magnetocrystalline anisotropy of α″-Fe{sub 16}N{sub 2} by interstitial impurity doping: A first principles study

Energy Technology Data Exchange (ETDEWEB)

Khan, Imran; Hong, Jisang, E-mail: hongj@pknu.ac.kr

2017-07-01

Highlights: • The electronic structure and magnetic properties of 2s and 2p elements doped α″-Fe{sub 16}N{sub 2} were investigated. • The impurity doping induced local lattice distortions near the impurity site. • The local lattice distortion mainly contributed to enhance the magnetocrystalline anisotropy. • Almost 16% enhancement was achieved in coercive field due to enhancement of the magnetic anisotropy. • The maximum energy product was also enhanced due to impurity doping. - Abstract: The electronic structure and the magnetocrystalline anisotropy of impurity (Li, Be, B, C, and N) doped α″-Fe{sub 16}N{sub 2} were studied by using full potential linearized augmented plane wave method (FLAPW). From the formation energy calculations, it was evident that the 2s and 2p elements except Li could be easily doped into pure α″-Fe{sub 16}N{sub 2}. The impurity doping induced local lattice distortions near the impurity site and the magnetic moment near the impurity atom was substantially suppressed. However, the volume of the cell and the total magnetic moment of the doped systems were weakly suppressed compared to the pure α″-Fe{sub 16}N{sub 2}. Despite this relatively weak suppression in magnetization, the local distortion contributed to enhancing the magnetocrystalline anisotropy. Due to this enhancement in the anisotropy, the coercive field was also enhanced about 12–16% compared with that in pure structure. Along with the enlarged coercive field, the energy product was also increased. These results may suggest that impurity doped α″-Fe{sub 16}N{sub 2} can be used as potential rare earth free permanent magnet.

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

Science.gov (United States)

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 doping on optical properties of freestanding semi-insulating HVPE GaN:Fe

Czech Academy of Sciences Publication Activity Database

Gladkov, Petar; Humlíček, J.; Hulicius, Eduard; Šimeček, Tomislav; Paskova, T.; Evans, K.

2010-01-01

Roč. 312, č. 8 (2010), s. 1205-1209 ISSN 0022-0248 R&D Projects: GA AV ČR IAA100100719; GA MŠk(CZ) LC06040 Institutional research plan: CEZ:AV0Z20670512; CEZ:AV0Z10100521 Keywords : Fe-doping * Optical characterization * Hybride vapor phase epitaxy * Nitrides Subject RIV: JB - Sensors, Measurment, Regulation Impact factor: 1.737, year: 2010

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

Science.gov (United States)

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

Science.gov (United States)

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

Science.gov (United States)

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.

Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)

2015-10-01

Graphical abstract: - Highlights: • The structural, optical and optoelectronic properties of 1 mol.% Fe, Sn and Cu doped TiO{sub 2} have been compared. • Transient lifetimes for pure TiO{sub 2} and Sn doped TiO{sub 2} were considerably shorter than Fe and Cu doped TiO{sub 2}. • A good correlation between the bulk defects and transient decay for the doped TiO{sub 2} powders was observed. • Photon to current conversion efficiency of DSSC based on the metal doped TiO{sub 2} were in order Sn-TiO{sub 2} > Cu-TiO{sub 2} > Pure >> Fe-TiO{sub 2}. • DSSC based on Fe doped photoanodes is limited by a high concentration of surface free holes observed at 433 nm. - Abstract: Electron transfer dynamics in the oxide layers of the working electrodes in both dye-sensitized solar cells and photocatalysts greatly influences their performance. A proper understanding of the distribution of surface and bulk energy states on/in these oxide layers can provide insights into the associated electron transfer processes. Metal ions like Iron (Fe), Copper (Cu) and Tin (Sn) doped onto TiO{sub 2} have shown enhanced photoactivity in these processes. In this work, the structural, optical and transient properties of Fe, Cu and Sn doped TiO{sub 2} nanocrystalline powders have been investigated and compared using EDX, Raman spectroscopy, X-ray Photoelectron spectroscopy (XPS), and Transient Absorption spectroscopy (TAS). Surface free energy states distributions were probed using Electrochemical Impedance spectroscopy (EIS) on Dye Sensitized Solar Cells (DSSC) based on the doped TiO{sub 2} photoanodes. Raman and XPS Ti2p{sub 3/2} peak shifts and broadening showed that the concentration of defects were in the order: Cu doped TiO{sub 2} > Fe doped TiO{sub 2} > Sn doped TiO{sub 2} > pure TiO{sub 2}. Nanosecond laser flash photolysis of Fe and Cu doped TiO{sub 2} indicated slower transient decay kinetics than that of Sn doped TiO{sub 2} or pure TiO{sub 2}. A broad absorption peak and fast

Optical and Magnetic Properties of Fe Doped ZnO Nanoparticles Obtained by Hydrothermal Synthesis

Directory of Open Access Journals (Sweden)

Xiaojuan Wu

2014-01-01

Full Text Available Diluted magnetic semiconductors Zn1-xFexO nanoparticles with different doping concentration (x=0, 0.01, 0.05, 0.10, and 0.20 were successfully synthesized by hydrothermal method. The crystal structure, morphology, and optical and magnetic properties of the samples were characterized by X-ray diffraction (XRD, energy dispersive spectrometer (EDS, high-resolution transmission electron microscopy (HRTEM, Raman scattering spectra (Raman, photoluminescence spectra (PL, and the vibrating sample magnetometer (VSM. The experiment results show that all samples synthesized by this method possess hexagonal wurtzite crystal structure with good crystallization, no other impurity phases are observed, and the morphology of the sample shows the presence of ellipsoidal nanoparticles. All the Fe3+ successfully substituted for the lattice site of Zn2+ and generates single-phase Zn1-xFexO. Raman spectra shows that the peak shifts to higher frequency. PL spectra exhibit a slight blue shift and the UV emission is annihilated with the increase of Fe3+ concentration. Magnetic measurements indicated that Fe-doped ZnO samples exhibit ferromagnetic behavior at room temperature and the saturation magnetization is enhanced with the increase of iron doping content.

Electronic Structure and Optical Properties of Co and Fe doped ZnO

Directory of Open Access Journals (Sweden)

Li Chunping

2016-01-01

Full Text Available First-principle ultrasoft pseudo potential approach of the plane wave based on density functional theory has been used for studying the electronic characterization and optical properties of ZnO and Fe, Co doped ZnO. The results show that the doping impurities change the lattice parameters a little, but bring more changes in the electronic structures. The band gaps are broadened by doping. And the Fermi level accesses to the conduction band which will lead the system to show the character of metallic properties. The dielectric function and absorption peaks are identified and the changes compared to pure ZnO are analyzed in detail.

Fabrication and characterization of nanostructured Ba-doped BiFeO3 porous ceramics

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Mostafavi E.

2016-03-01

Full Text Available Nanostructured barium doped bismuth ferrite, Bi₀.₈Ba₀.₂FeO₃ porous ceramics with a relatively high magnetic coercivity was fabricated via sacrificial pore former method. X-ray diffraction results showed that 20 wt.% Ba doping induces a structural phase transition from rhombohedral to distorted pseudo-cubic structure in the final porous samples. Moreover, utilizing Bi₀.₈Ba₀.₂FeO₃ as the starting powder reduces the destructive interactions between the matrix phase and pore former, leading to an increase in stability of bismuth ferrite phase in the final porous ceramics. Urea-derived Bi₀.₈Ba₀.₂FeO₃ porous ceramic exhibits density of 4.74 g/cm³ and porosity of 45 % owing the uniform distribution of interconnected pores with a mean pore size of 7.5 μm. Well defined nanostructured cell walls with a mean grain size of 90 nm were observed in the above sample, which is in a good accordance with the grain size obtained from BET measurements. Saturation magnetization decreased from 2.31 in the Bi₀.₈Ba₀.₂FeO₃ compact sample to 1.85 A m²/kg in urea-derived Bi₀.₈Ba₀.₂FeO₃ porous sample; moreover, coercivity increased from 284 to 380 kA/m.

Enhanced magnetic and ferroelectric properties in scandium doped nano Bi{sub 2}Fe{sub 4}O{sub 9}

Energy Technology Data Exchange (ETDEWEB)

Dutta, Dimple P., E-mail: dimpled@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Sudakar, C.; Mocherla, Pavana S.V. [Department of Physics, IIT Madras, Chennai 600 036 (India); Mandal, Balaji P.; Jayakumar, Onnatu D. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Tyagi, Avesh K., E-mail: aktyagi@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

2012-08-15

In this study we report the synthesis of undoped and Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles using sonochemical technique. X-ray diffraction reveals that all samples are single phase with no impurities detected. EDS analysis was done to confirm the extent of Sc{sup 3+} doping in the samples. The size and morphology of the nanoparticles have been analyzed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles show a weak ferromagnetic behavior at room temperature, which is quite different from the linear M-H relationship reported for bulk Bi{sub 2}Fe{sub 4}O{sub 9}. A magnetization of 0.144 {mu}B/f.u. is obtained at 300 K, which is mainly attributed to the uncompensated moments at the disordered particle surface resulting from the reduced coordination of the surface spins, arising due to lattice strain or oxygen deficiency. Addition of Sc{sup 3+} dopant in varying concentrations in these Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles, improves their magnetic as well as ferroelectric properties. The leakage current is considerably reduced and electric polarization increases significantly in case of Bi{sub 2}Fe{sub 4(1-x)}Sc{sub x}O{sub 9} (x = 0.1) nanoparticles. Thus it can be inferred that Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles shows promise as good multiferroic materials. -- Graphical abstract: Undoped and Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles have been synthesized using sonochemical technique. The bi-functionalities of Sc{sup 3+} doped Bi{sub 2}Fe{sub 4}O{sub 9} nanoparticles have been demonstrated. The Bi{sub 2}Fe{sub 4(1-x)}Sc{sub x}O{sub 9} (x = 0.1) nanoparticles showed enhanced magnetic and ferroelectric properties with considerably less lossy characteristics compared to the bulk Bi{sub 2}Fe{sub 4}O{sub 9}. Highlights: Black-Right-Pointing-Pointer Phase pure Bi{sub 2}Fe{sub 4}O{sub 9} nanostructures synthesized using a facile

Fe-N co-doped SiO2@TiO2 yolk-shell hollow nanospheres with enhanced visible light photocatalytic degradation

Science.gov (United States)

Wan, Hengcheng; Yao, Weitang; Zhu, Wenkun; Tang, Yi; Ge, Huilin; Shi, Xiaozhong; Duan, Tao

2018-06-01

SiO2@TiO2 yolk@shell hollow nanospheres (STNSs) is considered as an outstanding photocatalyst due to its tunable structure and composition. Based on this point, we present an unprecedentedly excellent photocatalytic property of STNSs toward tannic acid via a Fe-N co-doped strategy. Their morphologies, compositions, structure and properties are characterized. The Fe-N co-doped STNSs formed good hollow yolk@shell structure. The results show that the energy gap of the composites can be downgraded to 2.82 eV (pure TiO2 = 3.2 eV). Photocatalytic degradation of tannic acid (TA, 30 mg L-1) under visible light (380 nm TiO2 nanospheres, non-doped STNSs and N-doped STNSs, the Fe-N co-doped STNSs exhibits the highest activity, which can degrade 99.5% TA into CO2 and H2O in 80 min. The probable degradation mechanism of the composites is simultaneously proposed, the band gap of STNSs becomes narrow by co-doping Fe-N, so that the TiO2 shell can stimulate electrons under visible light exposure, generate the ions of radOH and radO2- with a strong oxidizing property. Therefore this approach works is much desired for radioactive organic wastewater photocatalytic degradation.

Synthesis, spectroscopy and simulation of doped nanocrystals

NARCIS (Netherlands)

Suyver, Jan Frederik

2003-01-01

This thesis deals with the properties of semiconductor nanocrystals (ZnS or ZnSe) in the size range (diameter) of 2 nm to 10 nm. The nanocrystals under investigation are doped with the transition metal ions manganese or copper. The goal is to study photoluminescence and electroluminescence from

Local moments, exchange interactions, and magnetic order in Mn-doped LaFe2Si2 alloys

International Nuclear Information System (INIS)

Turek, I.; Divis, M.; Niznansky, D.; Vejpravova, J.

2007-01-01

Formation of local magnetic moments in the intermetallic compound LaFe 2 Si 2 due to doping by a few at% of Mn has been investigated by theoretical and experimental tools. While a number of low-temperature experiments prove appearance of non-zero magnetic moments due to the Mn doping, the measured 57 Fe Moessbauer spectra rule out sizable local moments of Fe atoms. This conclusion is in agreement with results of first-principles electronic structure calculations that yield non-vanishing moments only on Mn atoms. The calculated Mn-Mn exchange interactions are of both signs which indicate a magnetically frustrated ground state, probably with a spin-glass-like arrangement of the Mn moments

Investigation on Fe-doped ZnO nanostructures prepared by a chemical route

International Nuclear Information System (INIS)

Mishra, A.K.; Das, D.

2010-01-01

Zn 1-x Fe x O (x = 0.03, 0.05 and 0.07) nanoparticles synthesized by a chemical route were characterized by different techniques. The structural characterization by XRD and TEM confirmed the phase purity of the samples and indicated a reduction in particle size with increase in the dopant (Fe) concentration in ZnO. The optical characterization of the nanoparticles by FTIR, PL and UV-visible spectroscopy confirmed the formation of wurtzite structure and incorporation of Fe in the ZnO lattice. Magnetization measurements by VSM and Faraday balance techniques indicate presence of room temperature ferromagnetism in the Fe-doped ZnO samples. Local environment around the Fe atoms has been probed by 57 Fe Moessbauer spectroscopy and the measured isomer shifts confirmed the charge state of iron as Fe 3+ . Positron annihilation lifetime spectroscopy (PALS) measurements confirm the presence of cation vacancies in the nanoparticles and indicate a reduction of overall defect concentration with incorporation of Fe atoms in the ZnO structure.

Physical properties of Fe doped Mn3O4 thin films synthesized by SILAR method and their antibacterial performance against E. coli

Directory of Open Access Journals (Sweden)

M.R. Belkhedkar

2016-09-01

Full Text Available Nanocrystalline Fe doped Mn3O4 thin films were deposited by successive ionic layer adsorption and reaction method onto glass substrates. The X-ray diffraction study revealed that Fe doped Mn3O4 films are nanocrystalline in nature. The morphological investigations were carried out by using field emission scanning electron and atomic force microscopy studies. The optical absorption measurements showed that Mn3O4 films exhibit direct band gap energy of the order of 2.78 eV and it increased to 2.89 eV as the percentage of Fe doping in it increases from 0 to 8 wt.%. The room temperature electrical resistivity of Mn3O4 increases from 1.84 × 103 to 2.64 × 104 Ω cm as Fe doping increases from 0 to 8 wt.%. The SILAR grown Mn3O4 showed antibacterial performance against Escherichia coli bacteria which improved remarkably with doping.

Synthesis and electrochemical properties of Ti4+ doped Li3-xFe2-xTix(PO4)3/C cathode materials

International Nuclear Information System (INIS)

Liu Zhanqiang; Huang Fuqiang; Sun Junkang

2011-01-01

Highlights: → Li 3-x Fe 2-x Ti x (PO 4 ) 3 /C composite cathodes were prepared by ball-milling method. Ti-doping can improve the electrochemical property of Li 3 Fe 2 (PO 4 ) 3 . → The optimized doping level was found to be x = 0.2. → The second phase of LiTi 2 (PO 4 ) 3 will emerge if the doping level higher than 0.2. - Abstract: Li 3-x Fe 2-x Ti x (PO 4 ) 3 /C (x = 0-0.4) cathodes designed with Fe doped by Ti was studied. Both Li 3 Fe 2 (PO 4 ) 3 /C (x = 0) and Li 2.8 Fe 1.8 Ti 0.2 (PO 4 ) 3 /C (x = 0.2) possess two plateau potentials of Fe 3+ /Fe 2+ couple (around 2.8 V and 2.7 V vs. Li + /Li) upon discharge observed from galvanostatic charge/discharge and cyclic voltammetry. Li 2.8 Fe 1.8 Ti 0.2 (PO 4 ) 3 /C has higher reversibility and better capacity retention than that of the undoped Li 3 Fe 2 (PO 4 ) 3 /C. A much higher specific capacity of 122.3 mAh/g was obtained at C/20 in the first cycle, approaching the theoretical capacity of 128 mAh/g, and a capacity of 100.1 mAh/g was held at C/2 after the 20th cycle.

Study of cerium doped magnetite (Fe3O4:Ce)/PMMA nanocomposites

International Nuclear Information System (INIS)

Padalia, Diwakar; Johri, U.C.; Zaidi, M.G.H.

2012-01-01

The paper presents the synthesis and properties of polymer nanocomposite material based on cerium doped magnetite (Fe 3 O 4 ) as filler material and poly methyl methacrylate (PMMA) as host matrix. The magnetite (Fe 3 O 4 ) particles were synthesized by co-precipitation route using stable ferrous and ferric salts with ammonium hydroxide as precipitating agent. Further, they doped by cerium oxide (CeO 2 ) non-stoichiometrically. The composite material was fabricated by solvent evaporation method. Here 2.4 GHz microwaves were used to study the effect of microwaves heating on polymerization. The phase and crystal structure is determined by X-ray diffraction (XRD). The average crystallite size of the composites varies from 28 to 35 nm. The chemical structure is confirmed by Fourier transform infrared (FTIR) spectroscopy. The magnetic and thermal properties are investigated by vibrating sample magnetometer (VSM) and differential scanning calorimetry (DSC). The thermal study shows that the microwave heated samples possess higher glass transition temperature (T g ). The magnetic results suggest that coercivity (H C ) and squareness (M r /M s ) of the loop increases with increasing doping percent of cerium.

Superconducting instabilities and quasipartical interference in the LiFeAs and Co-doped NaFeAs iron-based superconductors

Energy Technology Data Exchange (ETDEWEB)

Altenfeld, Dustin; Ahn, Felix; Eremin, Ilya [Institut fuer Theoretische Physik III, Ruhr-Universitaet Bochum, D-44801 Bochum (Germany); Borisenko, Sergey [Leibniz-Institute for Solid State Research, IFW-Dresden, D-01171 Dresden (Germany)

2015-07-01

We analyze and compare the structure of the pairing interaction and superconducting gaps in LiFeAs and Co-doped NaFeAs by using the ten-orbital tight-binding model, derived from ab initio LDA calculations with hopping parameters extracted from the fit to ARPES experiments. We discuss the phase diagram and experimental probes to determine the structure of the superconducting gap in these systems with special emphasis on the quasiparticle interference, computed using the T-matrix approximation. In particular, we analyze how the superconducting state with opposite sign of the gaps on the two inner hole pockets in LiFeAs evolve upon changing the parameters towards NaFeAs compound.

Synthesis and photocatalytic activity of mesoporous nanocrystalline Fe-doped titanium dioxide

KAUST Repository

Qamar, Mohd; Merzougui, Belabbes A.; Anjum, Dalaver H.; Hakeem, Abbas Saeed; Yamani, Zain Hassan; Bahnemann, Detlef W.

2014-01-01

Synthesis of mesoporous nanocrystalline iron-doped titania following the sol-gel method is presented in this work. Samples with various molar ratios (0.1, 0.25, 0.5, 1.0, 2.5, 5.0, 10 and 20%) of Fe to Ti were prepared. The particle size was found

Al/Fe isomorphic substitution versus Fe{sub 2}O{sub 3} clusters formation in Fe-doped aluminosilicate nanotubes (imogolite)

Energy Technology Data Exchange (ETDEWEB)

Shafia, Ehsan [Politecnico di Torino, Department of Applied Science and Technology and INSTM Unit of Torino-Politecnico (Italy); Esposito, Serena [Università degli Studi di Cassino e del Lazio Meridionale, Department of Civil and Mechanical Engineering (Italy); Manzoli, Maela; Chiesa, Mario [Università di Torino, Dipartimento di Chimica and Centro Interdipartimentale NIS (Italy); Tiberto, Paola [Electromagnetism, I.N.Ri.M. (Italy); Barrera, Gabriele [Università di Torino, Dipartimento di Chimica and Centro Interdipartimentale NIS (Italy); Menard, Gabriel [Harvard University, Department of Chemistry and Chemical Biology (United States); Allia, Paolo, E-mail: paolo.allia@polito.it [Politecnico di Torino, Department of Applied Science and Technology and INSTM Unit of Torino-Politecnico (Italy); Freyria, Francesca S. [Massachusetts Institute of Technology, Department of Chemistry (United States); Garrone, Edoardo; Bonelli, Barbara, E-mail: barbara.bonelli@polito.it [Politecnico di Torino, Department of Applied Science and Technology and INSTM Unit of Torino-Politecnico (Italy)

2015-08-15

Textural, magnetic and spectroscopic properties are reported of Fe-doped aluminosilicate nanotubes (NTs) of the imogolite type, IMO, with nominal composition (OH){sub 3}Al{sub 2−x}Fe{sub x}O{sub 3}SiOH (x = 0, 0.025, 0.050). Samples were obtained by either direct synthesis (Fe-0.025-IMO, Fe-0.050-IMO) or post-synthesis loading (Fe-L-IMO). The Fe content was either 1.4 wt% (both Fe-0.050-IMO and Fe-L-IMO) or 0.7 wt% (Fe-0.025-IMO). Textural properties were characterized by High-Resolution Transmission Electron Microscopy, X-ray diffraction and N{sub 2} adsorption/desorption isotherms at 77 K. The presence of different iron species was studied by magnetic moment measurements and three spectroscopies: Mössbauer, UV–Vis and electron paramagnetic resonance, respectively. Fe{sup 3+}/Al{sup 3+} isomorphic substitution (IS) at octahedral sites at the external surface of NTs is the main process occurring by direct synthesis at low Fe loadings, giving rise to the formation of isolated high-spin Fe{sup 3+} sites. Higher loadings give rise, besides IS, to the formation of Fe{sub 2}O{sub 3} clusters. IS occurs up to a limit of Al/Fe atomic ratio of ca. 60 (corresponding to x = 0.032). A fraction of the magnetism related to NCs is pinned by the surface anisotropy; also, clusters are magnetically interacting with each other. Post-synthesis loading leads to a system rather close to that obtained by direct synthesis, involving both IS and cluster formations. Slightly larger clusters than with direct synthesis samples, however, are formed. The occurrence of IS indicates a facile cleavage/sealing of Al–O–Al bonds: this opens the possibility to exchange Al{sup 3+} ions in pre-formed IMO NTs, a much simpler procedure compared with direct synthesis.

Synthesis of nitrogen-doped graphene–ZnS quantum dots composites with highly efficient visible light photodegradation

Energy Technology Data Exchange (ETDEWEB)

Jiang, Shu-Dong; Tang, Gang [State Key Laboratory of Fire Science, University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026 (China); Ma, Yi-Fei [CAS Key Laboratory of Crust-Mantle Materials and Environments, School of Earth and Space Sciences, University of Science and Technology of China, Hefei 230026 (China); Hu, Yuan, E-mail: yuanhu@ustc.edu.cn [State Key Laboratory of Fire Science, University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026 (China); Suzhou Key Laboratory of Urban Public Safety, Suzhou Institute for Advanced Study, University of Science and Technology of China, 166 Ren' ai Road, Suzhou, Jiangsu 215123 (China); Song, Lei [State Key Laboratory of Fire Science, University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026 (China)

2015-02-01

Nitrogen-doped graphene–ZnS quantum dots (NG–ZnS QDs) were synthesized by a one-pot hydrothermal process using graphene oxide and [(Zn{sub 2}S{sub 2}) (pa)] nanosheets as precursors. The results demonstrated that ZnS QDs deposited on the surface of the nitrogen-doped graphene (NG). Combined with series of our analysis and characterization, we found that [(Zn{sub 2}S{sub 2}) (pa)] nanosheets were used not only as the sources of ZnS QDs but also as the sources of nitrogen. Moreover, photocatalytic experiment of NG–ZnS QDs for organic dyes was conducted under visible light irradiation, and the results exhibited that the photocatalytic activities of resultant composites could be remarkably enhanced. This simple and catalyst-free approach for depositing ZnS QDs onto NG may provide an alternative way for preparation of other composites based on NG under mild conditions, which showed their potential applications in wastewater treatment. - Graphical abstract: Schematic of the four-step process of the photon-driven CT model for NG–ZnS QDs. - Highlights: • A new strategy was present to synthesize nitrogen-doped graphene–ZnS quantum dots (NG–ZnS QDs) composites. • [(Zn{sub 2}S{sub 2}) (pa)] nanosheets were used not only as the sources of ZnS QDs but also as the sources of nitrogen. • The photocatalytic activities of NG–ZnS QDs could be remarkably enhanced.

First-principles investigation of Cr-doped Fe2B: Structural, mechanical, electronic and magnetic properties

Science.gov (United States)

Wei, Xiang; Chen, Zhiguo; Zhong, Jue; Wang, Li; Wang, Yipeng; Shu, Zhongliang

2018-06-01

The structural, mechanical, electronic and magnetic properties of Fe8-xCrxB4 (x = 0, 0.25, 0.5, 1, 2, 3, 4, 5, 6, 7 and 8) have been investigated by first-principles calculation. It was found that the calculated structural parameters are well consistent with available experimental data. Moreover, all studied compounds are thermodynamically stable phases. On the whole, the moduli of the compounds firstly increase and then decrease with the increase of Cr concentration, whereas the variation of hardness exhibits more fluctuations. All Cr-doped Fe2B have better ductility than Fe2B except Fe2Cr6B4 and Fe5Cr3B4. Interestingly, Fe4Cr4B4 is of not only the slightly larger hardness, but also much better ductility than Fe2B. As the Cr concentration is lower than 20 wt%, the hardness of Cr-doped Fe2B slightly decreases with increasing Cr, whereas the sharply increased hardness of (Fe, Cr)2B in Fe-B alloys or boriding layer should be attributed to the multiple alloying effects resulting from Cr and the other alloying elements. The electronic structures revealed that the Fe-B and/or Cr-B bonds are mainly responsible for their mechanical properties, and the M-N (M = Fe or Cr, N = Fe or Cr) bonds in 〈2 2 0〉 and 〈1 1 3〉 orientations show covalent character. Additionally, the magnetic moments (Ms) of the compounds do not monotonically decrease with increasing Cr.

Electrical, dielectric and photocatalytic properties of Fe-doped ZnO nanomaterials synthesized by sol gel method

Directory of Open Access Journals (Sweden)

Yacine Cherif

2016-09-01

Full Text Available Fe-doped ZnO nanoparticles were synthesized by sol gel technique. Fine-scale and single phase hexagonal wurtzite structure in all samples were confirmed by SEM and XRD, respectively. The band gap energy depends on the amount of Fe and was found to be in the range of 3.11–2.53 eV. The electric and dielectric properties were investigated using complex impedance spectroscopy. AC conductivity data were correlated with the barrier hopping (CBH model to evaluate the binding energy (Wm, the minimum hopping distance (Rmin and the density of states at Fermi level, N(EF. Fe doping in ZnO also improved the photocatalytic activity. Thus, the sample Zn0.95Fe0.05O showed high degradation potential towards methylene blue (MB, i.e. it degrades 90% of BM in 90 min under UV light.

Crystalline and Electronic Structures and Magnetic and Electrical Properties of La-Doped Ca2Fe2O5 Compounds

Science.gov (United States)

Phan, T. L.; Tho, P. T.; Tran, N.; Kim, D. H.; Lee, B. W.; Yang, D. S.; Thiet, D. V.; Cho, S. L.

2018-01-01

Brownmillerite Ca2Fe2O5 has been observed to exhibit many outstanding properties that are applicable to ecotechnology. However, very little work on doped Ca2Fe2O5 compounds has been carried out to widen their application scope. We present herein a detailed study of the crystalline/geometric and electronic structures and magnetic and electrical properties of Ca2- x La x Fe2O5 ( x = 0 to 1) prepared by conventional solid-state reaction. X-ray diffraction patterns indicated that the compounds with x = 0 to 0.05 exhibited brownmillerite-type single phase. La doping with higher content ( x ≥ 0.1) stimulated additive formation of Grenier- (LaCa2Fe3O8) and perovskite-type (LaFeO3) phases. Extended x-ray absorption fine structure spectroscopy at the Fe K-edge and electron spin resonance spectroscopy revealed presence of Fe3+ in the parent Ca2Fe2O5 ( x = 0) and both Fe3+ and Fe4+ in the doped compounds ( x ≥ 0.05). The Fe4+ content tended to increase with increasing x. This stimulates ferromagnetic exchange interactions between Fe3+ and Fe4+ ions and directly influences the magnetic properties of Ca2- x La x Fe2O5. Electrical resistivity ( ρ) measurements in the temperature range of T = 20 K to 400 K revealed that all the compounds exhibit insulator behavior; the ρ( T) data for x ≥ 0.1 could be described based on the adiabatic small polaron hopping model.

Spin-Related Micro-Photoluminescence in Fe3+ Doped ZnSe Nanoribbons

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Lipeng Hou

2016-12-01

Full Text Available Spin-related emission properties have important applications in the future information technology; however, they involve microscopic ferromagnetic coupling, antiferromagnetic or ferrimagnetic coupling between transition metal ions and excitons, or d state coupling with phonons is not well understood in these diluted magnetic semiconductors (DMS. Fe3+ doped ZnSe nanoribbons, as a DMS example, have been successfully prepared by a thermal evaporation method. Their power-dependent micro-photoluminescence (PL spectra and temperature-dependent PL spectra of a single ZnSe:Fe nanoribbon have been obtained and demonstrated that alio-valence ion doping diminishes the exciton magnetic polaron (EMP effect by introducing exceeded charges. The d-d transition emission peaks of Fe3+ assigned to the 4T2 (G → 6A1 (S transition at 553 nm and 4T1 (G → 6A1 (S transition at 630 nm in the ZnSe lattice have been observed. The emission lifetimes and their temperature dependences have been obtained, which reflected different spin–phonon interactions. There exists a sharp decrease of PL lifetime at about 60 K, which hints at a magnetic phase transition. These spin–spin and spin–phonon interaction related PL phenomena are applicable in the future spin-related photonic nanodevices.

Critical current and flux dynamics in Ag-doped FeSe superconductor

Science.gov (United States)

Galluzzi, A.; Polichetti, M.; Buchkov, K.; Nazarova, E.; Mancusi, D.; Pace, S.

2017-02-01

The measurements of DC magnetization as a function of the temperature M(T), magnetic field M(H), and time M(t) have been performed in order to compare the superconducting and pinning properties of an undoped FeSe0.94 sample and a silver doped FeSe0.94 + 6 wt% Ag sample. The M(T) curves indicate an improvement of the superconducting critical temperature and a reduction of the non-superconducting phase Fe7Se8 due to the silver doping. This is confirmed by the field and temperature dependent critical current density Jc(H,T) extracted from the superconducting hysteresis loops at different temperatures within the Bean critical state model. Moreover, the combined analysis of the Jc(T) and of the pinning force Fp(H/Hirr) indicate that the pinning mechanisms in both samples can be described in the framework of the collective pinning theory. The U*(T, J) curves show a pinning crossover from an elastic creep regime of intermediate size flux bundles, for low temperatures, to a plastic creep regime at higher temperatures for both the samples. Finally, the vortex hopping attempt time has been evaluated for both samples and the results are comparable with the values reported in the literature for high Tc materials.

Influence of Fe doped on the magnetocaloric behavior of La_{{2}/{3}} Ca_{{1}/{3}} Mn1-x Fe x O3 compounds: a Monte Carlo simulation

Science.gov (United States)

Alzate-Cardona, J. D.; Barco-Rios, H.; Restrepo-Parra, E.

2018-02-01

The magnetocaloric behavior of La{2/{3}} Ca{1/{3}} Mn1-x Fe x O3 for x  =  0.00, 0.02, 0.03, 0.05, 0.07, 0.08 and 0.10 under the influence of an external magnetic field was simulated and analyzed. Simulations were carried out using the Monte Carlo method and the classical Heisenberg model under the Metropolis algorithm. These mixed valence manganites are characterized by having three types of magnetic ions corresponding to Mn4+≤ft(S=\\frac{3}{2}\\right) , which are bonded with Ca2+ , and Mneg3+ and Mneg\\prime3+ (S=2) , related to La3+ . The Fe ions were randomly included, replacing Mn ions. With this model, the magnetic entropy change, Δ S , in an isothermal process was determined. -Δ Sm showed maximum peaks around the paramagnetic-ferromagnetic transition temperature, which depends on Fe doping. Relative cooling power was computed for different Fe concentrations varying the magnetic applied field. Our model and results show that the Fe doping decreases the magnetocaloric effect in the La{2/{3}} Ca{1/{3}} Mn1-x Fe x O3, making this a bad candidate for magnetic refrigeration. The strong dependence of the magnetocaloric behavior on Fe doping and the external magnetic field in La{2/{3}} Ca{1/{3}} Mn1-x Fe x O3 can boost these materials for the future technological applications.

First-principles study of antimony doping effects on the iron-based superconductor CaFe(SbxAs1−x)2

International Nuclear Information System (INIS)

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

2015-01-01

We study antimony doping effects on the iron-based superconductor CaFe(Sb x As 1−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. (author)

A Ti-doped γ-Fe2O3/SDS nano-photocatalyst as an efficient adsorbent for removal of methylene blue from aqueous solutions.

Science.gov (United States)

Mirbagheri, Naghmeh Sadat; Sabbaghi, Samad

2018-05-01

Synthetic dyes are among the most important environmental pollutants in wastewaters. Consequently, elimination of the synthetic dyes from wastewaters using non-toxic materials and eco-friendly technologies has been of considerable interests. In this study, magnetically separable Ti-doped γ-Fe 2 O 3 photocatalysts were synthesized for the removal of methylene blue (MB) from a dye-contaminated aqueous solution (as a model of dye-polluted wastewaters). Compared to the pristine γ-Fe 2 O 3 , the 1.78 v% Ti-doped γ-Fe 2 O 3 significantly increased the adsorption of MB by 57% in the dark condition as a result of the improved BET surface area in this photocatalyst. Moreover, the contact time required for the photocatalytic degradation of MB by the 1.78 v% Ti-doped γ-Fe 2 O 3 decreased due to the higher concentration of charge carriers in this photocatalyst than that of the pristine γ-Fe 2 O 3 . The effect of different experimental parameters on the adsorption property and photocatalytic activity of the 1.78 v% Ti-doped γ-Fe 2 O 3 photocatalyst showed that the solution pH had a remarkable influence on the removal performance of this photocatalyst. Surface treatment of the 1.78 v% Ti-doped γ-Fe 2 O 3 with sodium dodecyl sulfate (SDS) resulted in the formation of a negatively charged Ti-doped γ-Fe 2 O 3 /SDS photocatalyst, which showed a higher tendency for the adsorption and removal of MB than the untreated photocatalyst. Moreover, the MB removal efficiency of this photocatalyst was among the best performances that have been reported for the γ-Fe 2 O 3 -based photocatalysts. The synthesized photocatalysts were characterized by various techniques, and a plausible mechanism for the removal of MB from aqueous solutions by the Ti-doped γ-Fe 2 O 3 /SDS photocatalyst was purposed. Copyright © 2018 Elsevier Ltd. All rights reserved.

Ab-initio investigation of spin-dependent transport properties in Fe-doped armchair graphyne nanoribbons

Energy Technology Data Exchange (ETDEWEB)

GolafroozShahri, S.; Roknabadi, M.R., E-mail: roknabad@um.ac.ir; Shahtahmasebi, N.; Behdani, M.

2016-12-15

An ab-initio study on the spin-polarized transport properties of H-passivated Fe-doped graphyne nanoribbons is presented. All the calculations were based on density functional theory (DFT). Doping single magnetic atom on graphyne nanoribbons leads to metallicity which can significantly improve the conductivity. The currents are not degenerate for both up and down spin electrons and they are considerably spin-polarized. Therefore a relatively good spin-filtering can be expected. For configurations with geometric symmetry spin-rectifying is also observed. Therefore they can be applied as a dual spin-filter or a dual spin-diode in spintronic equipment. - Highlights: • The existence of Fe additional electrons lead to metallicity. • Doping magnetic atom on studied n-AGyNRs, has improved the conductance of nanoribbons. • The current for both spin electrons is considerably spin-polarized. • Threshold voltage decreased by increasing the width of ribbon. • For configurations with geometric symmetry spin-rectifying effect was also observed.

Structural, magnetic and dielectric properties of Y doped BiFeO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Zhong, Min [School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 (China); Kumar, N. Pavan [Departmant of Physics, Osmania University, Hyderabad, 500 007 (India); Department of Physics, National Institute of Technology, Warangal, 506002 (India); Sagar, E. [Departmant of Physics, Osmania University, Hyderabad, 500 007 (India); Jian, Zhu; Yemin, Hu [School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 (China); Reddy, P. Venugopal, E-mail: paduruvenugopalreddy@gmail.com [Departmant of Physics, Osmania University, Hyderabad, 500 007 (India); Vidya Jyothi Institute of Technology, Aziz Nagar Gate, C.B. Post, Hyderabad, 500075 (India)

2016-04-15

With a view to understand the influence of doping Bismuth ferrite with Yttrium on structural, magnetic and dielectric behavior, a series of samples were prepared by the solid state reaction technique. After characterizing the samples with XRD and SEM studies, magnetic and dielectric measurements were carried out. The impurity phase of Bismuth ferrite is found to disappear with increasing Y doping concentration and finally the sample with x = 0.2 is found to be free from secondary phases. The dielectric constant is also found to exhibit two transitions and efforts were made to explain the observed behavior. - Highlights: • The doping of Y helped in reducing the impurity phase of BiFeO{sub 3}. • All the Y doped samples are found to exhibit peaks in magnetization. • Y doped BFO might be considered for future device applications.

Synthesis and characterization of spin-coated ZnS thin films

Science.gov (United States)

Zaman, M. Burhanuz; Chandel, Tarun; Dehury, Kshetramohan; Rajaram, P.

2018-05-01

In this paper, we report synthesis of ZnS thin films using a sol-gel method. A unique aprotic solvent, dimethlysulphoxide (DMSO) has been used to obtain a homogeneous ZnS gel. Zinc acetate and thiourea were used as the precursor sources for Zn and S, respectively, to deposit nanocrystalline ZnS thin films. Optical, structural and morphological properties of the films were studied. Optical studies reveal high transmittance of the samples over the entire visible region. The energy band gap (Eg) for the ZnS thin films is found to be about 3.6 eV which matches with that of bulk ZnS. The interference fringes in transmissions spectrum show the high quality of synthesized samples. Strong photoluminescence peak in the UV region makes the films suitable for optoelectronic applications. X-ray diffraction studies reveal that sol-gel derived ZnS thin films are polycrystalline in nature with hexagonal structure. SEM studies confirmed that the ZnS films show smooth and uniform grains morphology having size in 20-25 nm range. The EDAX studies confirmed that the films are nearly stoichiometric.

Effect of Li2O-doping of nanocrystalline CoO/Fe2O3 on isopropanol conversion

International Nuclear Information System (INIS)

El-Shobaky, Hala G.; Ali, Suzan A.H.; Hassan, Neven A.

2007-01-01

The catalytic conversion of isopropanol was carried out over pure and Li 2 O-doped (0.75-4.5 mol%) cobalt ferrite prepared by heating Fe/Co mixed hydroxides at 400 and 600 deg. C. The techniques employed were XRD, N 2 adsorption at -196 deg. C and conversion of isopropanol at 200-400 deg. C using a flow method. The results showed that Li 2 O-doping and increasing the heating temperature of the system investigated from 400 to 600 deg. C stimulated CoFe 2 O 4 formation also. Pure and variously doped solids were moderately crystallized CoFe 2 O 4 phase having a crystallite size varying between 5 and 15 nm. The S BET of various solids was found to decrease by increasing their calcination temperature and also by doping with 4.5 mol% Li 2 O. However, this treatment, resulted in a significant increase in their catalytic activities which much increased by doping. The presence of 1.5 mol% Li 2 O brought about an increase in the catalytic activity, measured at 300 deg. C, of 97% and 63% for the solids being calcined at 400 and 600 deg. C, respectively. All solids investigated behaved as dehydrogenation catalysts (having selectivities to acetone formation above 95%). The doping process did not alter the mechanism of dehydrogenation of isopropanol, but increased the concentration of active sites involved in the catalyzed reaction

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

Science.gov (United States)

Karunakaran, Chockalingam; Vinayagamoorthy, Pazhamalai

2016-11-01

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

Mid-infrared Fe2+:ZnSe semiconductor saturable absorber mirror for passively Q-switched Er3+-doped ZBLAN fiber laser

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Shougui Ning

2018-02-01

Full Text Available A mid-infrared (mid-IR semiconductor saturable absorber mirror (SESAM based on Fe2+:ZnSe for passively Q-switched Er3+-doped ZBLAN fiber laser has been demonstrated. Fe2+:ZnSe SESAM was fabricated by electron beam evaporation method. Fe2+ was innovatively doped into the reflective Bragg stack, in which ZnSe layer served as both doped matrix and high refractive layer during the fabricating process. By using the Fe2+:ZnSe SESAM, stable passively Q-switched pulses with the minimum pulse width of 0.43 μs under a repetition rate of 160.82 kHz were obtained. The recorded maximum average output power of 873 mW with a peak power of 12.59 W and pulse energy of 5.43 μJ were achieved. The results demonstrated a new method for fabricating Fe2+:ZnSe SESAM, which can be used in compact mid-IR Q-switched fiber laser.

Low temperature preparation and superconductivity of F-doped SmFeAsO

Energy Technology Data Exchange (ETDEWEB)

Chen, Y.L.; Cui, Y.J. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, C.H. [School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia); Yang, Y.; Wang, L.; Li, Y.C.; Zhang, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhao, Y., E-mail: yzhao@swjtu.edu.c [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia)

2010-11-01

A low temperature (1100 deg. C) process of preparing F-doped SmFeAsO samples has been developed using SmF{sub 3} with nanometer scale as the source of fluorine. A series of the SmFeAsO{sub 1-x}F{sub x} (x = 0, 0.05, 0.1, 0.15, 0.2, 0.25, 0.3) samples have been prepared using the present method. Compared with previous reports, the present SmF{sub 3} is more effective to introduce F into SmFeAsO system in which a transition temperature of 39 K can be observed when x = 0.05. The superconductivity is definitely enhanced with the increasing F-doping level. All the samples presented to be layered structure and the crystal particle size is about three times larger with sintering time increasing from 36 h to 48 h. Except for the nanometer scale of SmF{sub 3}, the flux effect of SmF{sub 3} is recognized to be another reason for the decrease of the sintering temperature. Further more, a relatively large amount of SmF{sub 3} was also employed in the raw materials to introduce excessive F and this has induced higher T{sub c} (55 K) in SmFeAsO{sub 0.8}F{sub 0.2+{delta}}system.

Thermochemical reactivity of 5–15 mol% Fe, Co, Ni, Mn-doped cerium oxides in two-step water-splitting cycle for solar hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Gokon, Nobuyuki, E-mail: ngokon@eng.niigata-u.ac.jp [Center for Transdisciplinary Research, Niigata University, 8050 Ikarashi 2-nocho, Nishi-ku, Niigata 950-2181 (Japan); Suda, Toshinori [Graduate School of Science and Technology, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan); Kodama, Tatsuya [Department of Chemistry & Chemical Engineering, Faculty of Engineering, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan)

2015-10-10

Highlights: • 5–15 mol% M-doped ceria are examined for thermochemical two-step water-splitting. • 5 mol% Fe- and Co-doped ceria have stoichiometric production of oxygen and hydrogen. • 10–15 mol% Fe- and Mn-doped ceria showed near-stoichiometric production. - Abstract: The thermochemical two-step water-splitting cycle using transition element-doped cerium oxide (M–CeO{sub 2−δ}; M = Fe, Co, Ni, Mn) powders was studied for hydrogen production from water. The oxygen/hydrogen productivity and repeatability of M–CeO{sub 2−δ} materials with M doping contents in the 5–15 mol% range were examined using a thermal reduction (TR) temperature of 1500 °C and water decomposition (WD) temperatures in the 800–1150 °C range. The temperature, steam partial pressure, and steam flow rate in the WD step had an impact on the hydrogen productivity and production rate. 5 mol% Fe- and Co-doped CeO{sub 2−δ} enhances hydrogen productivity by up to 25% on average compared to undoped CeO{sub 2}, and shows stable repeatability of stoichiometric oxygen and hydrogen production for the cyclic thermochemical two-step water-splitting reaction. In addition, 5 mol% Mn-doped CeO{sub 2−δ}, 10 and 15 mol% Fe- and Mn-doped CeO{sub 2−δ} show near stoichiometric reactivities.

Characterizations of diverse mole of pure and Ni-doped α-Fe2O3 synthesized nanoparticles through chemical precipitation route.

Science.gov (United States)

Sivakumar, S; Anusuya, D; Khatiwada, Chandra Prasad; Sivasubramanian, J; Venkatesan, A; Soundhirarajan, P

2014-07-15

In the present study, an attempt has been made for characterization and synthesis of pure and Ni-doped α-Fe2O3 (hematite) nanoparticles by chemical precipitation method. The synthesized products have been studied by X-ray diffraction (X-RD), Fourier transform infrared (FTIR) spectroscopy, UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), vibrating sample magnetometer (VSM) and scanning electron microscopy (SEM) techniques. The estimated average diameter of α-Fe2O3 nanoparticles were calculated by using the Debye-Scherrer equation and established as 31 nm. SEM micrographs showed the surface morphology as well as structures and particles distributions of synthesized samples. The UV-Vis DRS showed the indirect and direct band gap energies of pure and Ni-doped α-Fe2O3, these were reduced from 1.9847 to 1.52 eV and 2.0503 to 1.76 eV respectively. This result suggested the dopant enhanced the semiconducting behavior of iron oxide nanoparticles to an extent proportional to its nickel doped in the α-Fe2O3. Further, the magnetic properties of the pure and doped samples were investigated by vibrating sample magnetometer (VSM) and evaluated the information of pure and doped samples exhibited saturated hysteresis loop at room temperature, which is indicating that the weak ferromagnetism in nature of our synthesized samples. In addition, it has been found from the magnetization hysteresis curves of Ni-doping, resulting from increased the saturation of magnetization and reduced the coercivity of used samples. Therefore, the present study showed the reduction in band gap energies and coercive field for α-Fe2O3 nanoparticles due to nickel doped. Copyright © 2014 Elsevier B.V. All rights reserved.

The Crystal Structure of Micro- and Nanopowders of ZnS Studied by EPR of Mn2+ and XRD.

Science.gov (United States)

Nosenko, Valentyna; Vorona, Igor; Grachev, Valentyn; Ishchenko, Stanislav; Baran, Nikolai; Becherikov, Yurii; Zhuk, Anton; Polishchuk, Yuliya; Kladko, Vasyl; Selishchev, Alexander

2016-12-01

The crystal structure of micro- and nanopowders of ZnS doped with different impurities was analyzed by the electron paramagnetic resonance (EPR) of Mn 2+ and XRD methods. The powders of ZnS:Cu, ZnS:Mn, ZnS:Co, and ZnS:Eu with the particle sizes of 5-7 μm, 50-200 nm, 7-10 μm, and 5-7 nm, respectively, were studied. Manganese was incorporated in the crystal lattice of all the samples as uncontrolled impurity or by doping. The Mn 2+ ions were used as EPR structural probes. It is found that the ZnS:Cu has the cubic structure, the ZnS:Mn has the hexagonal structure with a rhombic distortion, the ZnS:Co is the mixture of the cubic and hexagonal phases in the ratio of 1:10, and the ZnS:Eu has the cubic structure and a distorted cubic structure with stacking defects in the ratio 3:1. The EPR technique is shown to be a powerful tool in the determination of the crystal structure for mixed-polytype ZnS powders and powders with small nanoparticles. It allows observation of the stacking defects, which is revealed in the XRD spectra.

Low Temperature Ferromagnetism and Optical Properties of Fe Doped ZnO Nanoparticles Synthesized by Sol-Gel Method

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B. Sathya

2017-06-01

Full Text Available In this present investigation, pure and Fe doped Zinc oxide nanoparticles were successfully synthesized by sol gel method.The structural and optical properties were examined by using X-ray diffraction (XRD, Scanning electron microscope (SEM, Transmission electron microscope (TEM, Ultraviolet spectroscopy and Photoluminescence (PL techniques.The structural characterization of XRD analysis confirmed the phase purity of the samples and crystallite size can be decreased with increasing doping concentrations.SEM image show that nanoparticles in spherical shape. The optical band gap calculated through UV-visible spectroscopy is found to be increasing from 3.48 to 3.57eV. TEM analysis depicted the crystallinity of nanoparticles prepared and chemical composition conformed the EDAX analysis. The PL spectra reveal that, Fe doped ZnO exhibit a decrease in intensity of the band edge emission peak while the intensity of the deep level emission peak increases.The enhancement of low temperature ferromagnetism in ZnO: Fe was achieved.

Hydrothermal Synthesis of Nanoclusters of ZnS Comprised on Nanowires

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Magnus Willander

2013-09-01

Full Text Available Cetyltrimethyl ammonium bromide cationic (CTAB surfactant was used as template for the synthesis of nanoclusters of ZnS composed of nanowires, by hydrothermal method. The structural and morphological studies were performed by using X-ray diffraction (XRD, scanning electron microscopy (SEM and high resolution transmission electron microscopy (HRTEM techniques. The synthesized ZnS nanoclusters are composed of nanowires and high yield on the substrate was observed. The ZnS nanocrystalline consists of hexagonal phase and polycrystalline in nature. The chemical composition of ZnS nanoclusters composed of nanowires was studied by X-ray photo electron microscopy (XPS. This investigation has shown that the ZnS nanoclusters are composed of Zn and S atoms.

Hydrothermal Synthesis of Nanoclusters of ZnS Comprised on Nanowires.

Science.gov (United States)

Ibupoto, Zafar Hussain; Khun, Kimleang; Liu, Xianjie; Willander, Magnus

2013-09-09

Cetyltrimethyl ammonium bromide cationic (CTAB) surfactant was used as template for the synthesis of nanoclusters of ZnS composed of nanowires, by hydrothermal method. The structural and morphological studies were performed by using X-ray diffraction (XRD), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) techniques. The synthesized ZnS nanoclusters are composed of nanowires and high yield on the substrate was observed. The ZnS nanocrystalline consists of hexagonal phase and polycrystalline in nature. The chemical composition of ZnS nanoclusters composed of nanowires was studied by X-ray photo electron microscopy (XPS). This investigation has shown that the ZnS nanoclusters are composed of Zn and S atoms.

Structural evolution and optical properties of oxidized ZnS microrods

Energy Technology Data Exchange (ETDEWEB)

Trung, D.Q. [Advanced Institute for Science and Technology (AIST), Hanoi University of Science and Technology (HUST), Hanoi 10000 (Viet Nam); Quang Ninh University of Industry, Yen Tho-Dong Trieu District, Quang Ninh Province (Viet Nam); Thang, P.T.; Hung, N.D. [Advanced Institute for Science and Technology (AIST), Hanoi University of Science and Technology (HUST), Hanoi 10000 (Viet Nam); Huy, P.T., E-mail: huy.phamthanh@hust.edu.vn [Advanced Institute for Science and Technology (AIST), Hanoi University of Science and Technology (HUST), Hanoi 10000 (Viet Nam)

2016-08-15

In this study, we present a simple and versatile way to growth and modify photoemission of high quality ZnS microrods by thermal evaporation method in combination with post oxidation in oxygen environment. The as-grown ZnS microrods show strong near edge luminescence doublets at room temperature indicating the high crystalline quality. Using ultrahigh-resolution scanning electron microscope integrated with energy microanalysis and cathodoluminescence capacity we elucidate the effect of oxidation temperature on microstructure surface, chemical composition and emission spectra of ZnS microrods. Under appropriate oxidation condition, the initial high quality ZnS microrods can be converted into ZnS/ZnO microrod heterostructures or optically active porous ZnO microrods. More particularly, we demonstrate that the emission wavelength of an oxygen-related defect could be tuned in between optical band-gap of ZnS and ZnO upon increasing the oxidation temperature. This research introduces a simple approach to synthesize and tune optical property of high quality ZnS crystals. - Highlights: • High quality optically defect free ZnS microrods were synthesized in large scale. • The structural evolution and changes in optical emission upon oxidation were disclosed. • Luminescence of oxygen-related defect can be tuned using oxidation temperature. • The initial ZnS microrods can be converted into ZnS/ZnO heterostructure. • Porous ZnO microrods with negligible defect emissions were achieved.

Enhanced coercivity in Co-doped α-Fe2O3 cubic nanocrystal assemblies prepared via a magnetic field-assisted hydrothermal synthesis

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Kinjal Gandha

2017-05-01

Full Text Available Ferromagnetic Co-doped α-Fe2O3 cubic shaped nanocrystal assemblies (NAs with a high coercivity of 5.5 kOe have been synthesized via a magnetic field (2 kOe assisted hydrothermal process. The X-ray diffraction pattern and Raman spectra of α-Fe2O3 and Co-doped α-Fe2O3 NAs confirms the formation of single-phase α-Fe2O3 with a rhombohedral crystal structure. Electron microscopy analysis depict that the Co-doped α-Fe2O3 NAs synthesized under the influence of the magnetic field are consist of aggregated nanocrystals (∼30 nm and of average assembly size 2 μm. In contrast to the NAs synthesized with no magnetic field, the average NAs size and coercivity of the Co-doped α-Fe2O3 NAs prepared with magnetic field is increased by 1 μm and 1.4 kOe, respectively. The enhanced coercivity could be related to the well-known spin–orbit coupling strength of Co2+ cations and the redistribution of the cations. The size increment indicates that the small ferromagnetic nanocrystals assemble into cubic NAs with increased size in the magnetic field that also lead to the enhanced coercivity.

Recyclable UV and visible light photocatalytically active amorphous TiO2 doped with M (III) ions (M = Cr and Fe)

International Nuclear Information System (INIS)

Buddee, Supat; Wongnawa, Sumpun; Sirimahachai, Uraiwan; Puetpaibool, Walailak

2011-01-01

Research highlights: → The low photocatalytic activity of amorphous TiO2 was enhanced by doping with Cr(III) or Fe(III) ions. → The doped catalysts performed close to P25 under UV light and better with visible light. → The doped catalysts can be recycled. - Abstract: Samples of amorphous TiO 2 doped with Cr(III) and Fe(III), designated as Cr-TiO 2 and Fe-TiO 2 , were prepared via modified impregnation method. The resulting products were characterized by X-ray diffraction, scanning electron microscopy, specific surface area by the Brunauer, Emmett and Teller method, UV-vis absorption and diffuse reflectance spectroscopy, and electron spin resonance spectroscopy. Experimental results revealed that the concentrations of dopants under studied, from 0.05 to 0.2 mol%, had no effect on the phase of products. The band gap energies shifted from 3.28 eV in the undoped amorphous TiO 2 to 2.50 eV and 2.86 eV for Fe-TiO 2 and Cr-TiO 2 , respectively. The doped amorphous TiO 2 showed photocatalytic activities under both UV and visible light with optimal results at 0.1 mol% dopants. Under UV irradiation, the 0.1 mol% doped samples decolorized methylene blue solutions to the same extent as the commercial TiO 2 samples (P25 and anatase) in 5 h. Under visible light, the doped samples decolorized dye solutions in 12 h while the commercial ones were much less active. The used catalysts can be recycled many times without any special treatment.

Photoelectrochemical Characterization of Sprayed α-Fe2O3 Thin Films: Influence of Si Doping and SnO2 Interfacial Layer

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Yongqi Liang

2008-01-01

Full Text Available α-Fe2O3 thin film photoanodes for solar water splitting were prepared by spray pyrolysis of Fe(AcAc3. The donor density in the Fe2O3 films could be tuned between 1017–1020 cm-3 by doping with silicon. By depositing a 5 nm SnO2 interfacial layer between the Fe2O3 films and the transparent conducting substrates, both the reproducibility and the photocurrent can be enhanced. The effects of Si doping and the presence of the SnO2 interfacial layer were systematically studied. The highest photoresponse is obtained for Fe2O3 doped with 0.2% Si, resulting in a photocurrent of 0.37 mA/cm2 at 1.23 VRHE in a 1.0 M KOH solution under 80 mW/cm2 AM1.5 illumination.

Synthesis and characterization of Cr doped CoFe2O4

Science.gov (United States)

Verma, Kavita; Patel, K. R.; Ram, Sahi; Barbar, S. K.

2016-05-01

Polycrystalline samples of pure and Cr-doped cobalt ferrite (CoFe2O4 and CoCrFeO4) were prepared by solid state reaction route method. X-ray diffraction pattern infers that both the samples are in single phase with Fd3m space group. Slight reduction in the lattice parameter of CoCrFeO4 has been observed as compared to CoFe2O4. The dielectric dispersion has been explained on the basis of Fe2+ ↔ Fe3+ hopping mechanism. The polarizations at lower frequencies are mainly attributed to electronic exchange between Fe2+ ↔ Fe3+ ions on the octahedral site in the ferrite lattice. In the present system a part from n-type charge carrier (Fe3+/Fe2+), the presence of (Co3+/Co2+) ions give rise to p-type charge carrier. Therefore in addition to n-type charge carrier, the local displacement of p-type charge carrier in direction of external electric field also contributes to net polarization. However, the dielectric constant and loss tangent of CoCrFeO4 are found to be lower than CoFe2O4 and is attributed to the availability of ferrous ion. CoCrFeO4 have less amount of ferrous ion available for polarization as compared to that of CoFe2O4. The impedance spectra reveal a grain interior contribution to the conduction process.

The pure rotational spectrum of ZnS (X 1Σ +)

Science.gov (United States)

Zack, L. N.; Ziurys, L. M.

2009-10-01

The pure rotational spectrum of ZnS (X 1Σ +) has been measured using direct-absorption millimeter/sub-millimeter techniques in the frequency range 372-471 GHz. This study is the first spectroscopic investigation of this molecule. Spectra originating in four zinc isotopologues ( 64ZnS, 66ZnS, 68ZnS, and 67ZnS) were recorded in natural abundance in the ground vibrational state, and data from the v = 1 state were also measured for the two most abundant zinc species. Spectroscopic constants have been subsequently determined, and equilibrium parameters have been estimated. The equilibrium bond length was calculated to be re ˜ 2.0464 Å, which agrees well with theoretical predictions. In contrast, the dissociation energy of DE ˜ 3.12 eV calculated for ZnS, assuming a Morse potential, was significantly higher than past experimental and theoretical estimates, suggesting diabatic interaction with other potentials that lower the effective dissociation energy. Although ZnS is isovalent with ZnO, there appear to be subtle differences in bonding between the two species, as suggested by their respective force constants and bond length trends in the 3d series.

Investigation on Fe-doped ZnO nanostructures prepared by a chemical route

Energy Technology Data Exchange (ETDEWEB)

Mishra, A.K. [UGC-DAE Consortium for Scientific Research, Kolkata Centre III/LB-8, Bidhannagar, Kolkata 700098 (India); Das, D., E-mail: ddas@alpha.iuc.res.in [UGC-DAE Consortium for Scientific Research, Kolkata Centre III/LB-8, Bidhannagar, Kolkata 700098 (India)

2010-07-25

Zn{sub 1-x}Fe{sub x}O (x = 0.03, 0.05 and 0.07) nanoparticles synthesized by a chemical route were characterized by different techniques. The structural characterization by XRD and TEM confirmed the phase purity of the samples and indicated a reduction in particle size with increase in the dopant (Fe) concentration in ZnO. The optical characterization of the nanoparticles by FTIR, PL and UV-visible spectroscopy confirmed the formation of wurtzite structure and incorporation of Fe in the ZnO lattice. Magnetization measurements by VSM and Faraday balance techniques indicate presence of room temperature ferromagnetism in the Fe-doped ZnO samples. Local environment around the Fe atoms has been probed by {sup 57}Fe Moessbauer spectroscopy and the measured isomer shifts confirmed the charge state of iron as Fe{sup 3+}. Positron annihilation lifetime spectroscopy (PALS) measurements confirm the presence of cation vacancies in the nanoparticles and indicate a reduction of overall defect concentration with incorporation of Fe atoms in the ZnO structure.

Zirconium doped nano-dispersed oxides of Fe, Al and Zn for destruction of warfare agents

International Nuclear Information System (INIS)

Stengl, Vaclav; Houskova, Vendula; Bakardjieva, Snejana; Murafa, Nataliya; Marikova, Monika; Oplustil, Frantisek; Nemec, Tomas

2010-01-01

Zirconium doped nano dispersive oxides of Fe, Al and Zn were prepared by a homogeneous hydrolysis of the respective sulfate salts with urea in aqueous solutions. Synthesized metal oxide hydroxides were characterized using Brunauer-Emmett-Teller (BET) surface area and Barrett-Joiner-Halenda porosity (BJH), X-ray diffraction (XRD), infrared spectroscopy (IR), scanning electron microscopy (SEM) and energy-dispersive X-ray microanalysis (EDX). These oxides were taken for an experimental evaluation of their reactivity with sulfur mustard (HD or bis(2-chloroethyl)sulfide), soman (GD or (3,3'-Dimethylbutan-2-yl)-methylphosphonofluoridate) and VX agent (S-[2-(diisopropylamino)ethyl]-O-ethyl-methylphosphonothionate). The presence of Zr 4+ dopant can increase both the surface area and the surface hydroxylation of the resulting doped oxides, decreases their crystallites' sizes thereby it may contribute in enabling the substrate adsorption at the oxide surface thus it can accelerate the rate of degradation of warfare agents. Addition of Zr 4+ converts the product of the reaction of ferric sulphate with urea from ferrihydrite to goethite. We found out that doped oxo-hydroxides Zr-FeO(OH) - being prepared by a homogeneous hydrolysis of ferric and zirconium oxo-sulfates mixture in aqueous solutions - exhibit a comparatively higher degradation activity towards chemical warfare agents (CWAs). Degradation of soman or VX agent on Zr-doped FeO(OH) containing ca. 8.3 wt.% of zirconium proceeded to completion within 30 min.

Zirconium doped nano-dispersed oxides of Fe, Al and Zn for destruction of warfare agents

Energy Technology Data Exchange (ETDEWEB)

Stengl, Vaclav, E-mail: stengl@uach.cz [Institute of Inorganic Chemistry AS CR v.v.i., 250 68 Rez (Czech Republic); Houskova, Vendula; Bakardjieva, Snejana; Murafa, Nataliya; Marikova, Monika [Institute of Inorganic Chemistry AS CR v.v.i., 250 68 Rez (Czech Republic); Oplustil, Frantisek; Nemec, Tomas [Military Technical Institute of Protection Brno, Veslarska 230, 628 00 Brno (Czech Republic)

2010-11-15

Zirconium doped nano dispersive oxides of Fe, Al and Zn were prepared by a homogeneous hydrolysis of the respective sulfate salts with urea in aqueous solutions. Synthesized metal oxide hydroxides were characterized using Brunauer-Emmett-Teller (BET) surface area and Barrett-Joiner-Halenda porosity (BJH), X-ray diffraction (XRD), infrared spectroscopy (IR), scanning electron microscopy (SEM) and energy-dispersive X-ray microanalysis (EDX). These oxides were taken for an experimental evaluation of their reactivity with sulfur mustard (HD or bis(2-chloroethyl)sulfide), soman (GD or (3,3'-Dimethylbutan-2-yl)-methylphosphonofluoridate) and VX agent (S-[2-(diisopropylamino)ethyl]-O-ethyl-methylphosphonothionate). The presence of Zr{sup 4+} dopant can increase both the surface area and the surface hydroxylation of the resulting doped oxides, decreases their crystallites' sizes thereby it may contribute in enabling the substrate adsorption at the oxide surface thus it can accelerate the rate of degradation of warfare agents. Addition of Zr{sup 4+} converts the product of the reaction of ferric sulphate with urea from ferrihydrite to goethite. We found out that doped oxo-hydroxides Zr-FeO(OH) - being prepared by a homogeneous hydrolysis of ferric and zirconium oxo-sulfates mixture in aqueous solutions - exhibit a comparatively higher degradation activity towards chemical warfare agents (CWAs). Degradation of soman or VX agent on Zr-doped FeO(OH) containing ca. 8.3 wt.% of zirconium proceeded to completion within 30 min.

Low-Temperature Thermoelectric Properties of Fe2VAl with Partial Cobalt Doping

Science.gov (United States)

Liu, Chang; Morelli, Donald T.

2012-06-01

Ternary metallic alloy Fe2VAl with a pseudogap in its energy band structure has received intensive scrutiny for potential thermoelectric applications. Due to the sharp change in the density of states profile near the Fermi level, interesting transport properties can be triggered to render possible enhancement in the overall thermoelectric performance. Previously, this full-Heusler-type alloy was partially doped with cobalt at the iron sites to produce a series of compounds with n-type conductivity. Their thermoelectric properties in the temperature range of 300 K to 850 K were reported. In this research, efforts were made to extend the investigation on (Fe1- x Co x )2VAl to the low-temperature range. Alloy samples were prepared by arc-melting and annealing. Seebeck coefficient, electrical resistivity, and thermal conductivity measurements were performed from 80 K to room temperature. The effects of cobalt doping on the material's electronic and thermal properties are discussed.

Moessbauer spectroscopic study of Fe{sup II}-doped sulphonated poly(ether-urethane)-styrene-acrylate copolymer

Energy Technology Data Exchange (ETDEWEB)

Kamnev, A. A. [Russian Academy of Sciences, Institute of Biochemistry and Physiology of Plants and Microorganisms (Russian Federation); Grigoryeva, O. P.; Fainleib, A. M. [National Academy of Sciences of Ukraine, Institute of Macromolecular Chemistry (Ukraine); Kuzmann, E., E-mail: kuzmann@ludens.elte.hu [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

2013-04-15

Thermoplastic linear ionomer based on sulphonated poly(ether-urethane)-styrene-acrylate copolymer, doped with natural Fe{sup 2 + }, was studied by Moessbauer spectroscopy at T = 78 and 290 K to monitor the chemical state of Fe species. The Fe{sup 2 + } added to aqueous suspension of the system was only partly oxidised in the course of polymer film preparation and drying in air. The oxidised part comprised a magnetic phase ({approx}19 % of total Fe both at T = 78 and 298 K) and a quadrupole doublet ({approx}40 %), while Fe{sup II} (over 40 %) stabilised in two types of microenvironments.

Stability and electronic properties of oxygen-doped ZnS polytypes: DFTB study

Science.gov (United States)

Popov, Ilya S.; Vorokh, Andrey S.; Enyashin, Andrey N.

2018-06-01

Synthesis from aqueous solutions is an affordable method for fabrication of II-VI semiconductors. However, application of this method often imposes a disorder of crystal lattice, manifesting as a rich variety of polytypes arising from wurtzite and zinc blende phases. The origin of this disordering still remains debatable. Here, the influence of the most likely impurity at water environment - substitutional oxygen - on the polytypic equilibrium of zinc sulphide is studied by means of density-functional tight-binding method. According to calculations, the inclusion of such oxygen does not affect the polytypic equilibrium. Apart of thermodynamic stability, the electronic and elastic properties of ZnS polytypes are studied as the function of oxygen distribution.

Novel three-dimensionally ordered macroporous Fe{sup 3+}-doped TiO{sub 2} photocatalysts for H{sub 2} production and degradation applications

Energy Technology Data Exchange (ETDEWEB)

Yan, Xiaoqing; Xue, Chao; Yang, Bolun; Yang, Guidong, E-mail: guidongyang@xjtu.edu.cn

2017-02-01

Highlights: • 3DOM Fe{sup 3+}-doped TiO{sub 2} photocatalyst was prepared. • 3DOM structure showed high activity for decomposition of the RhB and the generation of H{sub 2}. • 3DOM structure provided interfacial reaction sites and optical absorption active sites. • The energy level from Fe{sup 3+} centers were existed in the band gap of TiO{sub 2}. • 3DOM structure promoted the separation of charge carriers. - Abstract: Novel three-dimensionally ordered macroporous (3DOM) Fe{sup 3+}-doped TiO{sub 2} 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 Fe{sup 3+}-doped TiO{sub 2} 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 Fe{sup 3+} ions have been introduced TiO{sub 2} lattice and the doped Fe{sup 3+} ions can act as the electron acceptor/donor centers to significantly enhance the electron transfer from the bulk to surface of TiO{sub 2}, 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 Fe{sup 3+}-doped TiO{sub 2} 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.

Minor-Cu doped soft magnetic Fe-based FeCoBCSiCu amorphous alloys with high saturation magnetization

Science.gov (United States)

Li, Yanhui; Wang, Zhenmin; Zhang, Wei

2018-05-01

The effects of Cu alloying on the amorphous-forming ability (AFA) and magnetic properties of the P-free Fe81Co5B11C2Si1 amorphous alloy were investigated. Addition of ≤ 1.0 at.% Cu enhances the AFA of the base alloy without significant deterioration of the soft magnetic properties. The Fe80.5Co5B11C2Si1Cu0.5 alloy with the largest critical thickness for amorphous formation of ˜35 μm possesses a high saturation magnetization (Bs) of ˜1.78 T, low coercivity of ˜14.6 A/m, and good bending ductility upon annealing in a wide temperature range of 513-553 K with maintaining the amorphous state. The fabrication of the new high-Fe-content Fe-Co-B-C-Si-Cu amorphous alloys by minor doping of Cu gives a guideline to developing high Bs amorphous alloys with excellent AFA.

In-depth nanocrystallization enhanced Li-ions batteries performance with nitrogen-doped carbon coated Fe3O4 yolk-shell nanocapsules

Science.gov (United States)

Wu, Qianhui; Zhao, Rongfang; Liu, Wenjie; Zhang, Xiue; Shen, Xiao; Li, Wenlong; Diao, Guowang; Chen, Ming

2017-03-01

In this paper nitrogen-doped carbon-encapsulation Fe3O4 yolk-shell magnetic nanocapsules (Fe3O4@C-N nanocapsules) have been successfully constructed though a facile hydrothermal method and subsequent annealing process. Fe3O4 nanoparticles are completely enclosed in nitrogen-doped carbon shells with void space between the nanoparticle and the shell. The yolk-shell structure allows Fe3O4 nanoparticles to expand freely without breaking the outer carbon shell during the lithiation/delithiation processes. The volume expansion of Fe3O4 results in the in-depth nanocrystallization. Fortunately, the new generated small nanoparticles can increase the capability with the cycle increase due to the unique confinement effect and excellent electronic conductivity of the nitrogen-doped carbon shells. Hence, after 150 cycles, the discharge capacity of Fe3O4@C-N-700 nanocapsules still remained 832 mA h g-1 at 500 mA g-1, which corresponds to 116.7% of the lowest capacity (713 mA h g-1) at the 16th cycle. We believe that the yolk-shell structure is conducive to enhance the capacity of easy pulverization metal oxidation during the charge/discharge processes.

Effect of calcination temperature on the structural, optical and magnetic properties of pure and Fe-doped ZnO nanoparticles

Directory of Open Access Journals (Sweden)

Pal Singh Raminder Preet

2016-06-01

Full Text Available In the present study, pure ZnO and Fe-doped ZnO (Zn0.97Fe0.03O nanoparticles were synthesized by simple coprecipitation method with zinc acetate, ferric nitrate and sodium hydroxide precursors. Pure ZnO and Fe-doped ZnO were further calcined at 450 °C, 600 °C and 750 °C for 2 h. The structural, morphological and optical properties of the samples were characterized by X-ray diffractometer (XRD, scanning electron microscope (SEM, energy dispersive spectroscopy (EDS and UV-Vis absorption spectroscopy. The X-ray diffraction studies revealed that the as-synthesized pure and doped ZnO nanoparticles have hexagonal wurtzite structure. The average crystallite size was calculated using Debye-Scherrer’s formula. The particle size was found to be in nano range and increased with an increase in calcination temperature. SEM micrographs confirmed the formation of spherical nanoparticles. Elemental compositions of various elements in pure and doped ZnO nanoparticles were determined by EDX spectroscopy. UV-Vis absorption spectra showed red shift (decrease in band gap with increasing calcination temperature. Effect of calcination on the magnetic properties of Fe-doped ZnO sample was also studied using vibrating sample magnetometer (VSM. M-H curves at room temperature revealed that coercivity and remanent polarization increase with an increase in calcination temperature from 450 °C to 750 °C, whereas reverse effect was observed for magnetization saturation.

Effect of Fe Doping by Thermal in-Diffusion on the Defect Structure of Lithium Niobate

Energy Technology Data Exchange (ETDEWEB)

Mignoni, S; Zaltron, A; Ciampolillo, M V; Bazzan, M; Argiolas, N; Sada, C; Fontana, M D, E-mail: zaltronam@padova.infm.it

2010-11-15

In this work we investigate the iron incorporation in thermally diffused Fe doped LN, by combining two experimental techniques, i.e. micro-Raman spectroscopy and proton induced X rays emission. Our results point out that in substituting for Li, Fe ions induces a decrease of Nb{sub Li} antisite defects and rearrangement of the Nb sublattice.

3d-metal doping (Fe,Co,Ni,Zn) of the high Tc perovskite YBa2Cu3O(7-y)

International Nuclear Information System (INIS)

Tarascon, J.M.; Barboux, P.; Greene, L.H.; Hull, G.W.; Bagley, B.G.

1988-01-01

The structural, magnetic and superconducting properties of the mixed compounds YBa 2 Cu(3-x)M(x)O(7-y) (M = Ni,Zn,Fe, and Co) are reported. Values of y, determined by titration, are found to be dependent on the nature and amount of the doping. The range of solubility is greater for the Fe and Co compounds (x = 1) than for those with Ni or Zn (x = 0.3). The undoped material is orthorhombic and remains orthorhombic after substitution for Cu by Ni or Zn, whereas a tetragonal phase is observed when Fe, Co are substituted for Cu. DC resistance and AC susceptibility measurements show that Tc is depressed from 90K (x = 0) to 45K (x = 0.2) for both the Ni- and Zn-doped compounds, and Tc is destroyed in the Fe- and Co-doped compounds when x reaches 0.4. It is suggested that a valence of two be assigned to the Ni and Zn and three to the Fe and Co ions. 8 references

Co-precipitation synthesis and characterization of tin-doped α-Fe2O3 nanoparticles with enhanced photocatalytic activities

Science.gov (United States)

Mansour, Houda; Bargougui, Radhouane; Autret-Lambert, Cécile; Gadri, Abdellatif; Ammar, Salah

2018-03-01

In this study, Sn-doped hematite (α-Fe2O3) nanoparticles with various dopant concentrations ranging from 1 to 6 mol% were prepared successfully using a simple co-precipitation technique. The effects of Sn doping on the structural, morphological, optical, and magnetic properties were determined using X-ray diffraction (XRD), Raman spectroscopy, transmission electron microscopy (TEM), UV-visible diffuse reflectance spectroscopy, and a superconducting quantum interference device. XRD analysis showed that all of the samples had a typical hematite-type hexagonal structure of Fe2O3 without any additional peaks due to spurious phases. The cell parameters a and c decreased monotonically as the Sn content increased, thereby indicating that Sn ions were substituted into the α-Fe2O3 lattice. These results and the TEM analyses showed that the size of the nanoparticles decreased to 10 nm as the Sn doping concentration increased. UV-visible absorption measurements showed that the decrease in particle size was accompanied by a decrease in the band gap value from 2.07 eV for α-Fe2O3 to 1.87 eV with 6 mol% Sn doping. Furthermore, the magnetic properties demonstrated that all of the samples exhibited ferromagnetic behavior at room temperature. The photocatalytic activities of the samples were studied based on the degradation of methylene blue as a model compound, where the results showed that an appropriate amount of Sn dopant could greatly increase the amount of hydroxyl radicals generated by α-Fe2O3 nanoparticles, which were responsible for the obvious increase in the photocatalytic activity.

Superconductivity in Sm-doped CaFe2As2 single crystals

Science.gov (United States)

Dong-Yun, Chen; Bin-Bin, Ruan; Jia, Yu; Qi, Guo; Xiao-Chuan, Wang; Qing-Ge, Mu; Bo-Jin, Pan; Tong, Liu; Gen-Fu, Chen; Zhi-An, Ren

2016-06-01

In this article, the Sm-doping single crystals Ca1 - x Sm x Fe2As2 (x = 0 ˜ 0.2) were prepared by the CaAs flux method, and followed by a rapid quenching treatment after the high temperature growth. The samples were characterized by structural, resistive, and magnetic measurements. The successful Sm-substitution was revealed by the reduction of the lattice parameter c, due to the smaller ionic radius of Sm3+ than Ca2+. Superconductivity was observed in all samples with onset T c varying from 27 K to 44 K upon Sm-doping. The coexistence of a collapsed phase transition and the superconducting transition was found for the lower Sm-doping samples. Zero resistivity and substantial superconducting volume fraction only happen in higher Sm-doping crystals with the nominal x > 0.10. The doping dependences of the c-axis length and onset T c were summarized. The high-T c observed in these quenched crystals may be attributed to simultaneous tuning of electron carriers doping and strain effect caused by lattice reduction of Sm-substitution. Project supported by the National Natural Science Foundation of China (Grant No. 11474339), the National Basic Research Program of China (Grant Nos. 2010CB923000 and 2011CBA00100), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB07020100).

Electrical and magnetic behavior of iron doped nickel titanate (Fe{sup 3+}/NiTiO{sub 3}) magnetic nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Lenin, Nayagam; Karthik, Arumugam; Sridharpanday, Mathu; Selvam, Mohanraj; Srither, Saturappan Ravisekaran; Arunmetha, Sundarmoorthy; Paramasivam, Palanisamy; Rajendran, Venkatachalam, E-mail: veerajendran@gmail.com

2016-01-01

Iron doped nickel titanate (Fe{sup 3+}/NiTiO{sub 3}) ferromagnetic nanoparticles with different concentrations of Fe (0.2, 0.4, and 0.6 mol) were synthesized using precipitation route with precursor source such as nickel nitrate and iron nitrate solutions. The prepared magnetic nanopowders were investigated through X-ray diffraction (XRD), Fourier transform infrared, scanning electron microscope, X-ray fluorescence, Brunauer–Emmett–Teller, vibrating sample magnetometer, and electrochemical impedance spectroscopy to explore the structural, ferromagnetic, and dielectric properties. The obtained XRD pattern shows formation of iron doped nickel titanate in orthorhombic structure. The crystallite size ranges from 57 to 21 nm and specific surface area ranges from 11 to 137 m{sup 2} g{sup −1}. The hysteresis loops of nanomagnetic materials show ferromagnetic behavior with higher magnitude of coercivity (H{sub c}) 867–462 Oe. The impedance analysis of ferromagnetic materials explores the ferro-dielectric behavior with enhanced properties of Fe{sup 3+}/NiTiO{sub 3} nanoparticles at higher Fe content. - Highlights: • Iron doped nickel titanate magnetic nanoparticles. • Ferromagnetic magnetism behavior with higher magnitude of coercivity. • Dielectric behavior of ferromagnetic nanoparticles with increase of Fe content.

Synthesis and characterization of Fe{sup 3+} doped TiO{sub 2} nanoparticles and films and their performance for photocurrent response under UV illumination

Energy Technology Data Exchange (ETDEWEB)

Elghniji, Kais [University of Sfax, Laboratoire Eau, Energie et Environnement (LR3E), Ecole Nationale d' Ingenieurs de Sfax, B.P. 1173, 3038 Sfax (Tunisia); Atyaoui, Atef [Centre de Recherches et des Technologies des Eaux, Technopole de Borj Cedria B.P. 273, 8020 Soliman (Tunisia); Livraghi, Stefano [Dipartimento di Chimica I.F.M and NIS, Universita degli Studi di Torino, Via P. Giuria, 7 10125 Torino (Italy); Bousselmi, Latifa [Centre de Recherches et des Technologies des Eaux, Technopole de Borj Cedria B.P. 273, 8020 Soliman (Tunisia); Giamello, Elio [Dipartimento di Chimica I.F.M and NIS, Universita degli Studi di Torino, Via P. Giuria, 7 10125 Torino (Italy); Ksibi, Mohamed, E-mail: Mohamed.Ksibi@tunet.tn [University of Sfax, Laboratoire Eau, Energie et Environnement (LR3E), Ecole Nationale d' Ingenieurs de Sfax, B.P. 1173, 3038 Sfax (Tunisia)

2012-11-15

Graphical abstract: Schematic diagram illustrating the charge transfer from excited TiO{sub 2} to the different states of Fe{sup 3+} ions; C{sub B} and V{sub B} refer to the energy levels of the conduction and valence bands of TiO{sub 2}, respectively. Highlights: Black-Right-Pointing-Pointer In this study we examine the Iron as catalyst precursor to synthesize the Fe{sup 3+} doped TiO{sub 2} nanoparticles. Black-Right-Pointing-Pointer The Fe{sup 3+} doped TiO{sub 2} catalysts show the presence of a mixed phase of anatase. Black-Right-Pointing-Pointer The iron is completely absent in the XRD pattern of the doped iron TiO{sub 2} powder. Black-Right-Pointing-Pointer The analysis of EPR result further confirms that Fe{sup 3+} ion are successfully doped in the TiO{sub 2} lattice by substituting Ti{sup 4+}. Black-Right-Pointing-Pointer Fe{sup 3+} doping can efficiently separate the photo-generated electrons and holes. - Abstract: Undoped TiO{sub 2} and Fe{sup 3+} doped (0.1, 0.3, 0.6 and 1 wt.%) TiO{sub 2} nanoparticles have been synthesized by the acid-catalyzed sol-gel method. Iron cations are introduced in the initial solution, before gelification, what promotes their lattice localization. The Fe{sup 3+} doped TiO{sub 2} films have been fabricated using a dip-coating technique. The effect of iron content on the crystalline structure, phase transformation and grain growth were determined by X-ray diffraction (XRD), Raman spectroscopy, UV-visible diffused reflectance spectroscopy (DRS) and Electron paramagnetic resonance (EPR) spectroscopy. It has demonstrated that all catalysts are composed of mixed-phase crystals of anatase and brookite with anatase as dominant phase. The crystallinity of the brookite and anatase phases decreased with increasing the iron content. The analysis of EPR result further confirms that Fe{sup 3+} ion are successfully doped in the TiO{sub 2} lattice by substituting Ti{sup 4+}. It was demonstrated that Fe{sup 3+} ion in the TiO{sub 2} films

Itinerant magnetism in doped semiconducting β-FeSi2 and CrSi2

Science.gov (United States)

Singh, David J.; Parker, David

2013-01-01

Novel or unusual magnetism is a subject of considerable interest, particularly in metals and degenerate semiconductors. In such materials the interplay of magnetism, transport and other Fermi liquid properties can lead to fascinating physical behavior. One example is in magnetic semiconductors, where spin polarized currents may be controlled and used. We report density functional calculations predicting magnetism in doped semiconducting β-FeSi2 and CrSi2 at relatively low doping levels particularly for n-type. In this case, there is a rapid cross-over to a half-metallic state as a function of doping level. The results are discussed in relation to the electronic structure and other properties of these compounds. PMID:24343332

The magnetic characterization of Fe doped TiO{sub 2} semiconducting oxide nanoparticles synthesized by sol–gel method

Energy Technology Data Exchange (ETDEWEB)

Yeganeh, M., E-mail: mahboubeh.yeganeh@yahoo.co.uk [Department of Physics, Kosar University of Bojnord, P.O. Box 94104455 (Iran, Islamic Republic of); Shahtahmasebi, N.; Kompany, A. [Department of Physics, Ferdowsi University of Mashhad (Iran, Islamic Republic of); Karimipour, M. [Department of Physics, Vali-e-Asr University of Rafsanjan (Iran, Islamic Republic of); Razavi, F. [Department of Physics, Brock University (Canada); Nasralla, N.H.S. [Electron Microscope and Thin Film Department, Physics Division, 33 El Buhouth st., Dokki, 12622 Giza (Egypt); Šiller, L. [School of Chemical Engineering and Advanced Materials, Newcastle University, NE1 7RU (United Kingdom)

2017-04-15

In this work Fe doped TiO{sub 2} nanoparticles were synthesized at different Fe/Ti molar ratio from 1% to 5% by sol-gel technique. The post annealing of the samples was carried out at T=400, 600, and 800 °C. HRTEM of the samples revealed that the mean size of the nanoparticles increases from about 8 nm to about 100 nm as the annealing temperature increased. SQUID magnetometry of 1% and 5% Fe doped TiO{sub 2} has shown mixed ferromagnetic and paramagnetic phases within the crystal while ferromagnetic order with T{sub c} about 350 K was only observed in 5% Fe:TiO{sub 2} sample annealed at T=800 °C. The oxygen vacancy mediated ferromagnetic (FM) interaction could be responsible for the observed FM.

Safe-by-Design CuO Nanoparticles via Fe-Doping, Cu-O Bond Length Variation, and Biological Assessment in Cells and Zebrafish Embryos.

Science.gov (United States)

Naatz, Hendrik; Lin, Sijie; Li, Ruibin; Jiang, Wen; Ji, Zhaoxia; Chang, Chong Hyun; Köser, Jan; Thöming, Jorg; Xia, Tian; Nel, Andre E; Mädler, Lutz; Pokhrel, Suman

2017-01-24

The safe implementation of nanotechnology requires nanomaterial hazard assessment in accordance with the material physicochemical properties that trigger the injury response at the nano/bio interface. Since CuO nanoparticles (NPs) are widely used industrially and their dissolution properties play a major role in hazard potential, we hypothesized that tighter bonding of Cu to Fe by particle doping could constitute a safer-by-design approach through decreased dissolution. Accordingly, we designed a combinatorial library in which CuO was doped with 1-10% Fe in a flame spray pyrolysis reactor. The morphology and structural properties were determined by XRD, BET, Raman spectroscopy, HRTEM, EFTEM, and EELS, which demonstrated a significant reduction in the apical Cu-O bond length while simultaneously increasing the planar bond length (Jahn-Teller distortion). Hazard screening was performed in tissue culture cell lines and zebrafish embryos to discern the change in the hazardous effects of doped vs nondoped particles. This demonstrated that with increased levels of doping there was a progressive decrease in cytotoxicity in BEAS-2B and THP-1 cells, as well as an incremental decrease in the rate of hatching interference in zebrafish embryos. The dissolution profiles were determined and the surface reactions taking place in Holtfreter's solution were validated using cyclic voltammetry measurements to demonstrate that the Cu + /Cu 2+ and Fe 2+ /Fe 3+ redox species play a major role in the dissolution process of pure and Fe-doped CuO. Altogether, a safe-by-design strategy was implemented for the toxic CuO particles via Fe doping and has been demonstrated for their safe use in the environment.

Morphology-controlled synthesis of ZnS nanostructures via single-source approaches

International Nuclear Information System (INIS)

Han, Qiaofeng; Qiang, Fei; Wang, Meijuan; Zhu, Junwu; Lu, Lude; Wang, Xin

2010-01-01

ZnS nanoparticles of various morphologies, including hollow or solid spherical, and polyhedral shape, were synthesized from single-source precursor Zn(S 2 COC 2 H 5 ) 2 without using a surfactant or template. The as-prepared samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy. The results indicate that ZnS hollow and solid spheres assembled by nanoparticles can be easily generated by the solution phase thermalysis of Zn(S 2 COC 2 H 5 ) 2 at 80 o C using N, N-dimethylformamide (DMF) and ethylene glycol (EG) or water as solvents, respectively, whereas solvothermal process of the same precursor led to ZnS nanoparticles of polyhedral shape with an average size of 120 nm. The optical properties of these ZnS nanostructures were investigated by room-temperature luminescence and UV-vis diffuse reflectance spectra.

Effect of alkaline earth metal doping on thermal, optical, magnetic and dielectric properties of BiFeO3 nanoparticles

International Nuclear Information System (INIS)

Bhushan, B; Das, D; Basumallick, A; Bandopadhyay, S K; Vasanthacharya, N Y

2009-01-01

Substrate-free pure-phase BiFeO 3 (BFO) nanoparticles doped with alkaline earth metals (Ba, Sr and Ca) have been synthesized by a sol-gel route and their thermal, optical, dielectric and magnetic properties are discussed. The characteristic structural phase transitions of BFO nanoparticles are found to occur at much lower temperatures. A reduction of the Neel temperature has been observed in the doped samples in comparison with the pristine one, whereas the band gap shows a reverse trend. Iron was found to be only in the Fe 3+ valence state in all the doped samples. Magnetoelectric coupling is seen in our samples. Weak ferromagnetism is observed at room temperature in all of the doped and undoped BFO nanoparticles with the largest value of coercive field ∼1.78 kOe and saturation magnetization ∼2.38 emu g -1 for Ba and Ca doped BFO nanoparticles, respectively.

Structural and optical characterization of p-type highly Fe-doped SnO2 thin films and tunneling transport on SnO2:Fe/p-Si heterojunction

Science.gov (United States)

Ben Haj Othmen, Walid; Ben Hamed, Zied; Sieber, Brigitte; Addad, Ahmed; Elhouichet, Habib; Boukherroub, Rabah

2018-03-01

Nanocrystalline highly Fe-doped SnO2 thin films were prepared using a new simple sol-gel method with iron amounts of 5, 10, 15 and 20%. The obtained gel offers a long durability and high quality allowing to reach a sub-5 nm nanocrystalline size with a good crystallinity. The films were structurally characterized through X-ray diffraction (XRD) that confirms the formation of rutile SnO2. High Resolution Transmission Electron Microscopy (HRTEM) images reveals the good crystallinity of the nanoparticles. Raman spectroscopy shows that the SnO2 rutile structure is maintained even for high iron concentration. The variation of the PL intensity with Fe concentration reveals that iron influences the distribution of oxygen vacancies in tin oxide. The optical transmittance results indicate a redshift of the SnO2 band gap when iron concentration increases. The above optical results lead us to assume the presence of a compensation phenomenon between oxygen vacancies and introduced holes following Fe doping. From current-voltage measurements, an inversion of the conduction type from n to p is strongly predicted to follow the iron addition. Electrical characterizations of SnO2:Fe/p-Si and SnO2:Fe/n-Si heterojunctions seem to be in accordance with this deduction. The quantum tunneling mechanism is expected to be important at high Fe doping level, which was confirmed by current-voltage measurements at different temperatures. Both optical and electrical properties of the elaborated films present a particularity for the same iron concentration and adopt similar tendencies with Fe amount, which strongly correlate the experimental observations. In order to evaluate the applicability of the elaborated films, we proceed to the fabrication of the SnO2:Fe/SnO2 homojunction for which we note a good rectifying behavior.

Magnetic and photocatalytic response of Ag-doped ZnFeO nano-composites for photocatalytic degradation of reactive dyes in aqueous solution

International Nuclear Information System (INIS)

Mahmood, Asif; Ramay, Shahid Mahmood; Al-Zaghayer, Yousef S.; Imran, Muhammad; Atiq, Shahid; Al-Johani, Meshal S.

2014-01-01

Highlights: • Self-consistent sol–gel based auto-combustion route was used. • Photocatalytic degradation of reactive dyes in aqueous solution was investigated. • Due to Ag doping, band gap reduced. • Activity of Ag-doped samples was higher than that of un-doped ones. - Abstract: To investigate the photocatalytic degradation of reactive dyes in aqueous solution, pure ZnO and Fe/Ag-doped magnetic photocatalysts having nominal compositions of Zn 0.95−x Fe 0.05 Ag x O (x = 0.0, 0.05 and 0.1) have been synthesized via self-consistent sol–gel based auto-combustion route. Thermally stable samples were subsequently confirmed to exhibit wurtzite type hexagonal structure, characteristic of ZnO. The nature of chemical bonding was elaborated by Fourier transform analysis. Electron microscopic techniques were employed to investigate the structural morphology and to evaluate the particle size. Ferromagnetic nature of the Fe/Ag doped samples was revealed by vibrating sample magnetometry, enabling the photocatalytic samples to be re-collected magnetically for repeated usage. The enhanced photocatalytic activity in the degradation of methylene blue under UV light irradiation with 5 and 10 wt.% Ag/ZnFeO has been observed validating the potential applications of these materials in the field of photo-degradation of organic pollutants

Effects of (La, Sr) co-doping on electrical conduction and magnetic properties of BiFeO3 nanoparticles

International Nuclear Information System (INIS)

Liu Li; Wang Shouyu; Yin Zi; Zhang Chuang; Li Xiu; Yang Jiabin; Liu Weifang; Xu Xunling

2016-01-01

Multiferroic material as a photovoltaic material has gained considerable attention in recent years. Nanoparticles (NPs) La 0.1 Bi 0.9−x Sr x FeO y (LBSF, x = 0, 0.2, 0.4) with dopant Sr 2+ ions were synthesized by the sol–gel method. A systematic change in the crystal structure from rhombohedral to tetragonal upon increasing Sr doping was observed. There is an obvious change in the particle size from 180 nm to 50 nm with increasing Sr substitution into LBFO. It was found that Sr doping effectively narrows the band gap from ∼ 2.08 eV to ∼ 1.94 eV, while it leads to an apparent enhancement in the electrical conductivity of LBSF NPs, making a transition from insulator to semiconductor. This suggests an effective way to modulate the conductivity of BiFeO 3 -based multiferroic materials with pure phase by co-doping with La and Sr at the A sites of BiFeO 3 . (paper)

High yield growth of uniform ZnS nanospheres with strong photoluminescence properties

International Nuclear Information System (INIS)

Li, Yuan; Li, Qing; Wu, Huijie; Zhang, Jin; Lin, Hua; Nie, Ming; Zhang, Yu

2013-01-01

Graphical abstract: High-yield ZnS nanospheres with an average diameter of 80 nm were fabricated successfully in aqueous solution at 100 °C by the assistance of surfactant PVP. It was found that PVP plays a crucial role in the formation of uniform ZnS nanospheres. A possible self-assembling growth mechanism was proposed. The UV–vis spectrum indicates that the as-prepared ZnS nanospheres exhibit a dramatic blue-shift. PL spectrum reveals that the ZnS nanospheres have a strong visible emission peak centered at 516 nm with excitation light of 400 nm. Highlights: ► High-yield ZnS nanospheres were generated conveniently in aqueous solution. ► The amount of surfactant PVP plays a crucial role on the morphology and size of the products. ► A tentative explanation for the growth mechanism of ZnS nanospheres was proposed. ► The UV–vis spectrum indicated that the sample exhibits a dramatic blue-shift. ► PL spectrum reveals that ZnS nanospheres have a strong visible emission peak centered at 516 nm with excitation light of 400 nm. - Abstract: High yield ZnS nanospheres were generated conveniently in aqueous solution with the assistance of surfactant polyvinyl pyrrolidone (PVP). The products were characterized by XRD, EDX, XPS, FESEM, TEM and HRTEM. The as-prepared ZnS nanospheres were uniform with an average diameter of 80 nm. The role of PVP in the forming of ZnS nanospheres was investigated. The results indicated that surfactant PVP plays a crucial role on the morphology and size of the products. Moreover, a tentative explanation for the growth mechanism of ZnS nanospheres was proposed. UV–vis and PL absorption spectrum were used to investigate the optical properties of ZnS nanospheres. The UV–vis spectrum indicated that the sample exhibits a dramatic blue-shift. PL spectrum reveals that ZnS nanospheres have a strong visible emission peak centered at 516 nm with excitation light of 400 nm.

Accuracy and Transferability of Ab Initio Electronic Band Structure Calculations for Doped BiFeO3

Science.gov (United States)

Gebhardt, Julian; Rappe, Andrew M.

2017-11-01

BiFeO3 is a multiferroic material and, therefore, highly interesting with respect to future oxide electronics. In order to realize such devices, pn junctions need to be fabricated, which are currently impeded by the lack of successful p-type doping in this material. In order to guide the numerous research efforts in this field, we recently finished a comprehensive computational study, investigating the influence of many dopants onto the electronic structure of BiFeO3. In order to allow for this large scale ab initio study, the computational setup had to be accurate and efficient. Here we discuss the details of this assessment, showing that standard density-functional theory (DFT) yields good structural properties. The obtained electronic structure, however, suffers from well-known shortcomings. By comparing the conventional DFT results for alkali and alkaline-earth metal doping with more accurate hybrid-DFT calculations, we show that, in this case, the problems of standard DFT go beyond a simple systematic error. Conventional DFT shows bad transferability and the more reliable hybrid-DFT has to be chosen for a qualitatively correct prediction of doping induced changes in the electronic structure of BiFeO3.

Impacts of Co-doping on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystal studied by the electrical transport.

Science.gov (United States)

Urata, Takahiro; Tanabe, Yoichi; Heguri, Satoshi; Tanigaki, Katsumi

2015-03-01

In the FeSe with the simplest crystal structure in the Fe-based superconductor families, although both the superconductivity and the orbital ordering states are investigated, the relation between them is still unclear. Here, we report Co doping effects on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystals. The electrical transport measurements demonstrated that the superconductivity vanishes at 4 % Co doping while the orbital ordering state may be robust against Co doping. Present results suggest that the orbital ordering state is not related to the emergence of the superconductivity in FeSe.

Hydrothermal Synthesis of Pt-, Fe-, and Zn-doped SnO2 Nanospheres and Carbon Monoxide Sensing Properties

Directory of Open Access Journals (Sweden)

Weigen Chen

2013-01-01

Full Text Available Pure and M-doped (M = Pt, Fe, and Zn SnO2 nanospheres were successfully synthesized via a simple and facile hydrothermal method and characterized by X-ray powder diffraction, field-emission scanning electron microscopy, and energy dispersive spectroscopy. Chemical gas sensors were fabricated based on the as-synthesized nanostructures, and carbon monoxide sensing properties were systematically measured. Compared to pure, Fe-, and Zn-doped SnO2 nanospheres, the Pt-doped SnO2 nanospheres sensor exhibits higher sensitivity, lower operating temperature, more rapid response and recovery, better stability, and excellent selectivity. In addition, a theoretical study based on the first principles calculation was conducted. All results demonstrate the potential of Pt dopant for improving the gas sensing properties of SnO2-based sensors to carbon monoxide.

Fe-doping induced Griffiths-like phase in La0.7Ba0.3CoO3

International Nuclear Information System (INIS)

Wan-Guo, Huang; Xiang-Qun, Zhang; Guo-Ke, Li; Young, Sun; Qing-An, Li; Zhao-Hua, Cheng

2009-01-01

The effect of Fe-doping on the magnetic properties of the ABO 3 -type perovskite cobaltites La 0.7 Ba 0.3 Co 1–y Fe y O 3 (0 ≤ y ≤ 0.80) is reported. With no apparent structural change in any doped sample, the Curie temperature (T C ) and the magnetization (M) are greatly suppressed for y ≤ 0.30 samples, while a distinct increase in T C for the y = 0.40 sample is observed. With the further increase of Fe concentration, T C increases monotonically. Griffiths-like phases in 0.40 ≤ y ≤ 0.60 samples are confirmed. The formation of the Griffiths-like phase is ascribed to B-site disordering induced isolation of ferromagnetic (FM) clusters above T C . (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Magnetic and ferroelectric properties of Fe doped SrTiO{sub 3-{delta}} films

Energy Technology Data Exchange (ETDEWEB)

Kumar, A Sendil; Suresh, P; Srinath, S [School of Physics, University of Hyderabad, Hyderabad, 500 046 (India); Kumar, M Mahesh; Post, M L [Institute for Chemical Process and Environmental Technology, National Research Council of Canada, Ottawa, ON, K1A 0R6 (Canada); Srikanth, H [Materials Physics Laboratory, Department of Physics, University of South Florida, Tampa, Florida, 33620 (United States); Sahner, Kathy; Moos, Ralf, E-mail: sssp@uohyd.ernet.i [Functional Materials, University of Bayreuth, 95447, Bayreuth (Germany)

2010-01-01

Recent interest in SrTiO{sub 3} stems from its wide applicability in microwave devices based on the tunable characteristics of dielectric constant in the microwave frequency range. It is obvious that for any such application, SrTiO{sub 3} should have a ferroelectric Curie temperature (T{sub C}) close to room temperature or higher. By inducing strains by chemical substitutions, it was possible to obtain T{sub C} as high as 200{sup 0}C in SrTiO{sub 3} modified with Fe{sup 4+}. Hysteresis loops obtained confirms the presence of ferroelectric domains. Two apparent transitions, one at {approx}200 {sup 0}C and another {approx}300 {sup 0}C were seen in {epsilon}', which are replicated as sharp drops in resistivity curves. These temperatures far exceed the T{sub C}s reported in the literature till now and could open new avenues for innumerable other applications for SrTiO{sub 3}. The magnetic properties of Fe doped SrTiO{sub 3} are also investigated. Low doping of Fe exhibits simple antiferromagnetic behaviour.

Metal-organic framework derived Fe/Fe3C@N-doped-carbon porous hierarchical polyhedrons as bifunctional electrocatalysts for hydrogen evolution and oxygen-reduction reactions.

Science.gov (United States)

Song, Chunsen; Wu, Shikui; Shen, Xiaoping; Miao, Xuli; Ji, Zhenyuan; Yuan, Aihua; Xu, Keqiang; Liu, Miaomiao; Xie, Xulan; Kong, Lirong; Zhu, Guoxing; Ali Shah, Sayyar

2018-08-15

The development of simple and cost-effective synthesis methods for electrocatalysts of hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) is critical to renewable energy technologies. Herein, we report an interesting bifunctional HER and ORR electrocatalyst of Fe/Fe 3 C@N-doped-carbon porous hierarchical polyhedrons (Fe/Fe 3 C@N-C) by a simple metal-organic framework precursor route. The Fe/Fe 3 C@N-C polyhedrons consisting of Fe and Fe 3 C nanocrystals enveloped by N-doped carbon shells and accompanying with some carbon nanotubes on the surface were prepared by thermal annealing of Zn 3 [Fe(CN) 6 ] 2 ·xH 2 O polyhedral particles in nitrogen atmosphere. This material exhibits a large specific surface area of 182.5 m 2  g -1 and excellent ferromagnetic property. Electrochemical tests indicate that the Fe/Fe 3 C@N-C hybrid has apparent HER activity with a relatively low overpotential of 236 mV at the current density of 10 mA cm -2 and a small Tafel slope of 59.6 mV decade -1 . Meanwhile, this material exhibits excellent catalytic activity toward ORR with an onset potential (0.936 V vs. RHE) and half-wave potential (0.804 V vs. RHE) in 0.1 M KOH, which is comparable to commercial 20 wt% Pt/C (0.975 V and 0.820 V), and shows even better stability than the Pt/C. This work provides a new insight to developing multi-functional materials for renewable energy application. Copyright © 2018 Elsevier Inc. All rights reserved.

X-ray absorption and resonant photoelectron spectroscopy of epitaxial Fe-doped SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Koehl, Annemarie; Lenser, Christian; Xu, Chencheng; Wicklein, Sebastian; Dittmann, Regina [Peter Gruenberg Institut 7, Forschungszentrum Juelich GmbH (Germany); Kajewski, Dariusz; Kubacki, Jurek; Szade, Jacek [A.Chelkowski Institute of Physics, University of Silesia, Katowic (Poland)

2012-07-01

In recent years resistive switching in transition metal oxides received a lot of research interest due to the proposed application as non-volatile data memory. SrTiO{sub 3} serves as a model system for the investigation of resistive switching due to the valency change mechanism. Frequently, slightly Fe doping is used, as it has shown to improve the switching properties. The focus of this study is the effect of Fe-doping of SrTiO{sub 3} in thin epitaxial films. Thin film samples with Fe concentration of 2 at.% and 5 at.% were prepared by pulsed laser deposition at varying substrate temperatures. The surface morphology of the films is studied with AFM. X-ray absorption spectroscopy is performed in total-electron and auger-electron yield offering different probing depths. Significant variations of the Fe-L edge between bulk and interface as well as after annealing are observed and discussed in terms of integration into the lattice and evolution of secondary phases. Resonant photoelectron spectroscopy at the absorption edge of Ti, O and Fe was used to determine the spectral contributions to the valence band. Most noteworthy we find significant spectral weight above the valence band, which can be attributed to Fe-states.

Efficient charge carriers induced by extra outer-shell electrons in iron-pnictides: a comparison between Ni- and Co-doped CaFeAsF

International Nuclear Information System (INIS)

Zhang Min; Yu Yi; Tan Shun; Zhang Yuheng; Zhang Changjin; Zhang Lei; Qu Zhe; Ling Langsheng; Xi, Chuanying

2010-01-01

A comprehensive study of the difference between CaFe 1-x Ni x AsF and CaFe 1-x Co x AsF systems has been carried out by measuring the efficient charge carrier concentration, the valence states and the superconducting phase diagram. It is found that at the same doping level, Ni doping introduces nearly twice the number of charge carriers as Co doping. However, x-ray absorption near-edge spectroscopy measurements reveal that the valence state of Fe in both systems is close to 2, indicating that there is no valence mismatch. We suggest that the charge carriers in CaFe 1-x M x AsF (M=transition metal elements) are not induced by valence mismatch but come from the difference in the number of outer-shell electrons. We also suggest that with Ni and Co doping, the systems change from a multi-band material in the underdoped regions to a single-band state in the overdoped regions.

Structural, morphological and magnetic properties of Eu-doped CoFe2O4 nano-ferrites

Directory of Open Access Journals (Sweden)

Aiman Zubair

Full Text Available Europium (Eu doped spinel cobalt ferrites having composition CoEuxFe2−xO4 where x = 0.00, 0.03, 0.06, 0.09, 0.12 were fabricated by co-precipitation route. In order to observe the phase development of the ferrite samples, thermo-gravimetric analysis was carried out. The synthesized samples were subjected to X-ray diffraction analysis for structural investigation. All the samples were found to constitute face centered cubic (FCC spinel structure belonging to Fd3m space group. Scanning electron microscopy revealed the formation of nanocrystalline grains with spherical shape. Energy dispersive X-ray spectra confirmed the presence of Co, Eu, Fe and O elements with no existence of any impurity. The magnetic hysteresis curves measured at room temperature exhibited ferrimagnetic behavior with maximum saturation magnetization (Ms of 65 emu/g and coercivity (Hc of 966 Oe. The origin of ferrimagnetism in Eu doped cobalt ferrites was discussed in detail with reverence to the allocation of Co2+ and Fe3+ ions within the spinel lattice. The overall coercivity was increased (944–966 Oe and magnetization was decreased (65–46 emu/g with the substitution of Eu3+. The enhancement of former is ascribed to the transition from multi domain to single domain state and reduction in lateral is attributed to the incorporation of nonmagnetic Eu ions for Fe, resulting in weak superexchange interactions. Keywords: Europium doped cobalt ferrites, Co-precipitation, X-ray diffraction, Scanning electron microscopy, Magnetic properties

Effect of killer impurities on laser-excited barium-doped ZnS phosphors at liquid nitrogen temperature

Science.gov (United States)

Kumar, Sunil; Verma, N. K.; Bhatti, H. S.

Zinc sulphide phosphors doped with Ba, as well as killer impurities of Fe, Co and Ni, having variable concentrations, were synthesized; and using an ultraviolet laser as the excitation source, decay-curve analyses were done. Various strong emissions in these phosphors were detected and the corresponding excited-state life times were measured at liquid nitrogen temperature. Studies were carried out to see the effect of killer impurities on the phosphorescence excited-state life times. Excited-state life times were found to decrease appreciably (microsecond to nanosecond) with the addition of quenchers. These studies are quite useful and find applications in areas such as optical memories, sensors, luminescent screens, laser-beam detection and alignment, color displays, printing, etc.

The electronic, magnetic and optical properties of ZnO doped with doubles impurities (Cr, Fe): An LDA-SIC and Monte Carlo study

Energy Technology Data Exchange (ETDEWEB)

Salmani, El Mehdi, E-mail: elmehdisalmani@gmail.com [LMPHE, Faculté des Sciences, Université Mohammed V, Rabat (Morocco); Laghrissi, Ayoub; Lamouri, Rachida; Ez-Zahraouy, Hamid [LMPHE, Faculté des Sciences, Université Mohammed V, Rabat (Morocco); Benyoussef, Abdelilah [Institute for Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Académie Hassan II des Sciences et Techniques, Rabat (Morocco)

2017-01-15

Electronic structure, magnetic and optical properties of ZnO doped with single and double impurities Zn{sub 1−x}Cr{sub x}O, Zn{sub 1−x}Fe{sub x}O, and Zn{sub 1−2x}Cr{sub x}Fe{sub x}O (x=0.03 and 0.06) are investigated using first-principles calculations. Based on the Korringa–Kohn–Rostoker method combined with the coherent potential approximation, we investigated the half-metallic ferromagnetic behavior of doubles impurities (Cr, Fe) doped ZnO. To support our results, we apply the self-interaction-corrected local density approximation (SIC-LDA) to study the electronic structure, optical and magnetic properties of Co-doped ZnO with doubles impurities (Cr, Fe) showing that the half-metallic ferromagnetic state still persists. The stability of the ferromagnetic state compared with the spin-glass state is investigated by comparing their total energies. The exchange interactions obtained from first principle calculations and used in a classical Ising model by a Monte Carlo approach resulted in ferromagnetic states with high Neel temperature. - Highlights: • The electronic structure calculations for ZnO doped with doubles impurities (Cr, Fe) have been discussed. • The half-metallic aspect was proven to take place for doubles impurities (Cr, Fe) codoped ZnO. • The doubles impurities (Cr, Fe)impurities are shown to introduce the necessary magnetic moment that makes ZnO good candidates for spintronic applications.

Porous Hierarchical Nitrogen-doped Carbon Coated ZnFe_2O_4 Composites as High Performance Anode Materials for Lithium Ion Batteries

International Nuclear Information System (INIS)

Yue, Hongyun; Wang, Qiuxian; Shi, Zhenpu; Ma, Chao; Ding, Yanmin; Huo, Ningning; Zhang, Jun; Yang, Shuting

2015-01-01

Porous hierarchical and nitrogen-doped carbon coated ZnFe_2O_4 (ZnFe_2O_4@NC) was obtained by combustion method and unique carbon coating technology. Gum Arabic was firstly introduced in the carbon coating process as an additive, which played an important role to control the uniformity of carbon coating layer. The nitrogen-doped carbon layer was obtained through the pyrolysis of glycine. The elemental composition and content of the nitrogen-doped carbon in composites were characterized by X-ray photoelectron spectroscopy (XPS), energy dispersive spectroscopy (EDS) and thermal gravimetric analysis (TGA). The galvanostatic charge/discharge cycling was used to test the electrochemical performance of ZnFe_2O_4@NC and pure ZnFe_2O_4. The sub-micro size ZnFe_2O_4@NC with unique porous structure showed an excellent electrochemical performance as an anode material, which was higher than that of pure ZnFe_2O_4. ZnFe_2O_4@NC could maintain the specific discharge capacity of 1477 mAh g"−"1 at 0.1 A g"−"1 after 100 cycles and 705 mAh g"−"1 at 1 A g"−"1 after 1000 cycles, respectively.

Sensitive measurement of nonlinear absorption and optical limiting in undoped and Fe-doped ZnO quantum dots using pulsed laser

Science.gov (United States)

Sharma, D.; Malik, B. P.; Gaur, A.

2016-11-01

Zinc oxide quantum dots (QDs) with Fe-doping at different concentrations were prepared by chemical co-precipitation method. The prepared QDs were characterized by UV-Vis spectroscopy, X-ray diffraction and Z-scan technique. The sizes of QDs were found to be within 4.6-6.6 nm range. The nonlinear parameters viz. two-photon absorption coefficient (βTPA) and two-photon absorption cross-section (σTPA) were extracted with the help of open aperture Z-scan technique using nanosecond Nd:YAG laser operating at wavelength 532 nm. Higher values of βTPA and σTPA for Fe doped ZnO implied that they were potential materials for development of photonics devices and sensor protection applications. Fe doped sample (3 % by wt) was found to be the best optical limiter with limiting threshold intensity of 0.64 TW/cm2.

Novel phenomenon of magnetism and superconductivity in Fe-doped superconductor Bi{sub 4-x}Fe{sub x}O{sub 4}S{sub 3} (0 ≤ x ≤ 0.1)

Energy Technology Data Exchange (ETDEWEB)

Li, Qing [Shanghai University, Department of Physics, Shanghai (China); Shanghai University, Materials Genome Institute, Shanghai (China); Wang, Difei; Yu, Chuan; Yin, Xunqing; Kang, Jian; Cheng, Cheng; Deng, Dongmei; Jing, Chao [Shanghai University, Department of Physics, Shanghai (China); Feng, Zhenjie; Cao, Shixun; Zhang, Jincang [Shanghai University, Department of Physics, Shanghai (China); Shanghai University, Materials Genome Institute, Shanghai (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai (China); Chu, Hao [California Institute of Technology, Department of Applied Physics, Pasadena, CA (United States); Li, Xiaolong [Chinese Academy of Sciences, Shanghai Institute of Applied Physics, Shanghai (China)

2017-06-15

We report the effects of Fe doping on the BiS{sub 2}-based superconductor Bi{sub 4}O{sub 4}S{sub 3}. It has been found that the superconducting transition temperature (T{sub C}{sup onset}) is slightly enhanced by Fe doping. The magnetic susceptibility results reveal the coexistence of superconductivity and long-range ferrimagnetism in these samples. A new magnetic transition temperature T{sub V} (Verwey transition) from the M-T curves at ∝112 K is observed. The isothermal magnetization curves (M-H) indicate a weak ferrimagnetism, which is probably due to the antiparallel ordering of Fe{sup 2+} and Fe{sup 3+} magnetic moments. The coexistence of superconductivity and ferro/ferrimagnetism makes bismuth oxysulfide superconductor a platform for understanding superconductivity from a new perspective. (orig.)

High-Quality Fe-doped TiO2 films with Superior Visible-Light Performance

DEFF Research Database (Denmark)

Su, Ren; Bechstein, Ralf; Kibsgaard, Jakob

2012-01-01

We report on high-quality polycrystalline Fe-doped TiO2 (Fe–TiO2) porous films synthesized via one-step electrochemical oxidation. We demonstrate that delicate properties such as the impurity concentration and the microstructure that strongly influence the performance of the material for photovol...

The role of Sr doping on structure and microstructural properties of LaFeO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Jain, Pranat, E-mail: pranatjain@gmail.com; Srivastava, Sanjay, E-mail: s.srivastava.msme@gmail.com [Department of Materials Science & Metallurgical Engineering, Maulana Azad National Institute of Technology, Bhopal-4620003 (India); Gupta, Nitish, E-mail: nitish.nidhi75@gmail.com [Department of App. Chemistry, Shri G.S. Institute of Technology and Science, 23 Park Road Indore 452003 (India)

2016-05-06

The doping of Strontium in LaFeO{sub 3} and its influence on the structural and microstructure properties were studied thoroughly. A few sets of Sr doping in La{sub (1-x)}Fe{sub x}O{sub 3}, where x=0.00, 0.02, and 0.06 were made through the solution combustion synthesis method using urea as fuel. X-ray diffraction was applied to get information about the structure and purity. The Rietveld refinement on X-ray diffraction peaks have been done, in order to calculate various structural parameters. The morphology of La{sub (1-x)}Sr{sub x}FeO{sub 3} nanoscale particles has been confirmed by field emission scanning electron microscopy (FESEM) technique. Differential scanning calorimetry (DSC) signals demonstrated the antiferromagnetic to paramagnetic transition (T{sub N}). The FTIR spectra was provided the information about various vibration modes in samples.

Structural, magnetic and electric properties of Nd and Ni co-doped BiFeO3 materials

Directory of Open Access Journals (Sweden)

Dao Viet Thang

2017-09-01

Full Text Available Multiferroic Bi1−xNdxFe0.975Ni0.025O3 (x = 0.00, 0.05, 0.10, 0.125, and 0.15 (BNFNO and BiFeO3 (BFO materials were synthesized by a sol-gel method. Crystal structure, ferromagnetic and ferroelectric properties of the as-synthesized materials were investigated. Results showed that Nd3+ and Ni2+ co-doping affected to the electrical leakage, enhanced ferroelectric polarization and magnetization of BiFeO3. Co-doped sample with 12.5 mol% of Nd3+ and 2.5 mol% of Ni2+ exhibited an enhancement in both ferromagnetism and ferroelectric properties up to MS ~ 0.528 emu/g and PS ~ 18.35 μC/cm2 with applied electric field at 5 kV/cm, respectively. The origins of ferromagnetism and ferroelectricity enhancement were discussed in the paper.

Preparation of V-Doped LiFePO4/C as the Optimized Cathode Material for Lithium Ion Batteries.

Science.gov (United States)

Sun, Pingping; Zhang, Haiyang; Shen, Kai; Fan, Qi; Xu, Qingyu

2015-04-01

LiFe1-x,Vx,PO4/C composites were synthesized by solid state reaction. The effect of carbon coating and V doping on the performance of LiFePO4 has been systematically investigated by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), charge/discharge and cyclic voltammetry (CV) measurement. The results show that carbon coating and proper amount of V incorporation do not significantly change the host crystal structure of LiFePO4, while the electrochemical performance of LiFePO4 can be significantly improved. Particularly, the LiFe0.96V0.04PO4/C exhibits the best performance with a specific discharge capacity of 105.5 mA h/g at 5.0 C, 90.3 mA h/g at 10 C and 66.7 mA h/g at 30 C with stable cycle performance, which is significantly improved compared with the pure LiFePO4/C. The cyclic voltammograms result reveals that V doping could decrease the resistance of LiFePO4/C composite electrode drastically and improve its reversibility.

Pyroelectric properties and electrical conductivity in samarium doped BiFeO 3 ceramics

KAUST Repository

Yao, Yingbang

2012-06-01

Samarium (Sm 3+) doped BiFeO 3 (BFO) ceramics were prepared by a modified solid-state-reaction method which adopted a rapid heating as well as cooling during the sintering process. The pyroelectric coefficient increased from 93 to 137 μC/m 2 K as the Sm 3+ doping level increased from 1 mol% to 8 mol%. Temperature dependence of the pyroelectric coefficient showed an abrupt decrease above 80 °C in all samples, which was associated with the increase of electrical conductivity with temperature. This electrical conduction was attributed to oxygen vacancy existing in the samples. An activation energy of ∼0.7 eV for the conduction process was found to be irrespective of the Sm 3+ doping level. On the other hand, the magnetic Néel temperature (T N) decreased with increasing Sm 3+ doping level. On the basis of our results, the effects of Sm doping level on the pyroelectric and electrical properties of the BFO were revealed. © 2011 Elsevier Ltd. All rights reserved.

Controlling electrodeposited ultrathin amorphous Fe hydroxides film on V-doped nickel sulfide nanowires as efficient electrocatalyst for water oxidation

Science.gov (United States)

Shang, Xiao; Yan, Kai-Li; Lu, Shan-Shan; Dong, Bin; Gao, Wen-Kun; Chi, Jing-Qi; Liu, Zi-Zhang; Chai, Yong-Ming; Liu, Chen-Guang

2017-09-01

Developing cost-effective electrocatalysts with both high activity and stability remains challenging for oxygen evolution reaction (OER) in water electrolysis. Herein, based on V-doped nickel sulfide nanowire on nickel foam (NiVS/NF), we further conduct controllable electrodeposition of Fe hydroxides film on NiVS/NF (eFe/NiVS/NF) to further improve OER performance and stability. For comparison, ultrafast chemical deposition of Fe hydroxides on NiVS/NF (uFe/NiVS/NF) is also utilized. V-doping of NiVS/NF may introduce more active sites for OER, and nanowire structure can expose abundant active sites and facilitate mass transport. Both of the two depositions generate amorphous Fe hydroxides film covering on the surface of nanowires and lead to enhanced OER activities. Furthermore, electrodeposition strategy realizes uniform Fe hydroxides film on eFe/NiVS/NF confirmed by superior OER activity of eFe/NiVS/NF than uFe/NiVS/NF with relatively enhanced stability. The OER activity of eFe/NiVS/NF depends on various electrodepositon time, and the optimal time (15 s) is obtained with maximum OER activity. Therefore, the controllable electrodeposition of Fe may provide an efficient and simple strategy to enhance the OER properties of electrocatalysts.

First-principle study of single TM atoms X (X=Fe, Ru or Os) doped monolayer WS2 systems

Science.gov (United States)

Zhu, Yuan-Yan; Zhang, Jian-Min

2018-05-01

We report the structural, magnetic and electronic properties of the pristine and single TM atoms X (X = Fe, Ru or Os) doped monolayer WS2 systems based on first-principle calculations. The results show that the W-S bond shows a stronger covalent bond, but the covalency is obviously weakened after the substitution of W atom with single X atoms, especially for Ru (4d75s1) with the easily lost electronic configuration. The smaller total energies of the doped systems reveal that the spin-polarized states are energetically favorable than the non-spin-polarized states, and the smallest total energy of -373.918 eV shows the spin-polarized state of the Os doped monolayer WS2 system is most stable among three doped systems. In addition, although the pristine monolayer WS2 system is a nonmagnetic-semiconductor with a direct band gap of 1.813 eV, single TM atoms Fe and Ru doped monolayer WS2 systems transfer to magnetic-HM with the total moments Mtot of 1.993 and 1.962 μB , while single TM atom Os doped monolayer WS2 systems changes to magnetic-metal with the total moments Mtot of 1.569 μB . Moreover, the impurity states with a positive spin splitting energies of 0.543, 0.276 and 0.1999 eV near the Fermi level EF are mainly contributed by X-dxy and X-dx2-y2 states hybridized with its nearest-neighbor atom W-dz2 states for Fe, Ru and Os doped monolayer WS2 system, respectively. Finally, we hope that the present study on monolayer WS2 will provide a useful theoretical guideline for exploring low-dimensional spintronic materials in future experiments.

Study of cerium doped magnetite (Fe{sub 3}O{sub 4}:Ce)/PMMA nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Padalia, Diwakar, E-mail: Padalia.diwakar@gmail.com [Department of Physics, G.B. Pant University of Agriculture and Technology, Pantnagar, Uttrakhand (India); Johri, U.C. [Department of Physics, G.B. Pant University of Agriculture and Technology, Pantnagar, Uttrakhand (India); Zaidi, M.G.H. [Supercritical Fluid Processing Laboratory, Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, Uttrakhand (India)

2012-03-01

The paper presents the synthesis and properties of polymer nanocomposite material based on cerium doped magnetite (Fe{sub 3}O{sub 4}) as filler material and poly methyl methacrylate (PMMA) as host matrix. The magnetite (Fe{sub 3}O{sub 4}) particles were synthesized by co-precipitation route using stable ferrous and ferric salts with ammonium hydroxide as precipitating agent. Further, they doped by cerium oxide (CeO{sub 2}) non-stoichiometrically. The composite material was fabricated by solvent evaporation method. Here 2.4 GHz microwaves were used to study the effect of microwaves heating on polymerization. The phase and crystal structure is determined by X-ray diffraction (XRD). The average crystallite size of the composites varies from 28 to 35 nm. The chemical structure is confirmed by Fourier transform infrared (FTIR) spectroscopy. The magnetic and thermal properties are investigated by vibrating sample magnetometer (VSM) and differential scanning calorimetry (DSC). The thermal study shows that the microwave heated samples possess higher glass transition temperature (T{sub g}). The magnetic results suggest that coercivity (H{sub C}) and squareness (M{sub r}/M{sub s}) of the loop increases with increasing doping percent of cerium.

Al and Fe co-doped transparent conducting ZnO thin film for mediator-less biosensing application

Directory of Open Access Journals (Sweden)

Shibu Saha

2011-12-01

Full Text Available Highly c-axis oriented Al and Fe co-doped ZnO (ZAF thin film is prepared by pulsed laser deposition. Fe introduces redox centre along with shallow donor level while Al doping enhances conductivity of ZnO, thus removing the requirement of both mediator and bottom conducting layer in bioelectrode. Model enzyme (glucose oxidase, was immobilized on surface of ZAF matrix. Cyclic voltammetry and photometric assay show that prepared bio-electrode is sensitive to glucose concentration with enhanced response of 0.18 μAmM-1cm-2 and low Km ∼ 2.01 mM. The results illustrate that ZAF is an attractive matrix for realization of miniaturized mediator-less solid state biosensor.

High-rate and ultralong cycle-life LiFePO_4 nanocrystals coated by boron-doped carbon as positive electrode for lithium-ion batteries

International Nuclear Information System (INIS)

Feng, Jinpeng; Wang, Youlan

2016-01-01

Highlights: • B-doped carbon decorated LiFePO_4 has been fabricated for the first time. • The LiFePO_4@B-CdisplaysimprovedbatteryperformancecomparedtoLiFePO_4@C. • The LiFePO_4@B-C is good candidate for high-performance lithium-ion batteries. - Abstract: An evolutionary modification approach, boron-doped carbon coating, has been used to improve the electrochemical performances of positive electrodes for lithium-ion batteries, and demonstrates apparent and significant modification effects. In this study, the boron-doped carbon coating is firstly adopted and used to decorate the performance of LiFePO_4. The obtained composite exhibits a unique core-shell structure with an average diameter of 140 nm and a 4 nm thick boron-doped carbon shell that uniformly encapsulates the core. Owing to the boron element which could induce high amount of defects in the carbon, the electronic conductivity of LiFePO_4 is greatly ameliorated. Thus, the boron-doped composite shows superior rate capability and cycle stability than the undoped sample. For instance, the reversible specific capacity of LiFePO_4@B_0_._4-C can reach 164.1 mAh g"−"1 at 0.1C, which is approximately 96.5% of the theoretical capacity (170 mAh g"−"1). Even at high rate of 10C, it still shows a high specific capacity of 126.8 mAh g"−"1 and can be maintained at 124.5 mAh g"−"1 after 100 cycles with capacity retention ratio of about 98.2%. This outstanding Li-storage property enable the present design strategy to open up the possibility of fabricating the LiFePO_4@B-C composite for high-performance lithium-ion batteries.

Doping effects on structural and magnetic properties of Heusler alloys Fe2Cr1-xCoxSi

Science.gov (United States)

Liu, Yifan; Ren, Lizhu; Zheng, Yuhong; He, Shikun; Liu, Yang; Yang, Ping; Yang, Hyunsoo; Teo, Kie Leong

2018-05-01

In this work, 30nm Fe2Cr1-xCoxSi (FCCS) magnetic films were deposited on Cr buffered MgO (100) substrates by sputtering. Fe2Cr0.5Co0.5Si exhibits the largest magnetization and optimal ordered L21 cubic structure at in-situ annealing temperature (Tia) of 450°C. The Co composition dependence of crystalline structures, surface morphology, defects, lattice distortions and their correlation with the magnetic properties are analyzed in detail. The Co-doped samples show in-plane M-H loops with magnetic squareness ratio of 1 and increasing anisotropy energy density with Co composition. Appropriate Co doping composition promotes L21 phase but higher Co composition converts L21 to B2 phase. Doping effect and lattice mismatch both are proved to increase the defect density. In addition, distortions of the FCCS lattice are found to be approximately linear with Co composition. The largest lattice distortion (c/a) is 0.969 for Fe2Cr0.25Co0.75Si and the smallest is 0.983 for Fe2CrSi. Our analyses suggest that these tetragonal distortions mainly induced by an elastic stress from Cr buffer account for the large in-plane anisotropy energy. This work paves the way for further tailoring the magnetic and structural properties of quaternary Heusler alloys.

Effect of Sb and Si doping on the superconducting properties of FeSe0.9

International Nuclear Information System (INIS)

Sudesh,; Rani, S.; Varma, G.D.

2013-01-01

Highlights: ► We synthesized all the samples using two-step solid state reaction method. ► Si and Sb doping is done at the Se site of the compound FeSe 0.9 . ► H c2 (0) is calculated with GL-Fit and also using WHH model. ► Behavior of activation energy is studied with applied field. -- Abstract: In the present work, we have studied the effect of doping Sb and Si at the Se-site of FeSe 0.9 on the superconducting properties, such as transition temperature (T c ), upper critical field (H c2 ) and irreversibility field (H irr ). The polycrystalline samples have been synthesized via two step solid state reaction route with nominal compositions Fe[Se 1−x (Sb/Si) x ] 0.9 (x = 0.0, 0.05, 0.10, 0.15 and 0.20). The X-ray diffraction results show the presence of tetragonal α-FeSe phase with the P4/nmm space group symmetry in all the samples. The highest superconducting onset temperatures, T c onset ∼9.42Kand9.20K, respectively, for Si and Sb doped samples have been found for x = 0.05. The temperature dependence of H c2 (T) and H irr (T) have been calculated from the magnetoresistance data using the criteria of 90% and 10% of normal state resistivity (ρ n ) values, respectively. The values of H c2 (0) estimated from Werthamer–Helfand–Hohenberg (WHH) and Ginzburg–Landau (GL) theories are found to follow the same trends and maximum H c2 (0) is found for the composition x = 0.10 for both the Si and Sb doped samples. The irreversibility field, H irr and activation energy, U 0 have also been calculated to study the vortex motion behavior of the samples. A clear cut correlation between H irr and U 0 has been found

Preparation of sensitized ZnS and its photocatalytic activity under visible light irradiation

International Nuclear Information System (INIS)

Zhang Haitao; Chen Xinyi; Li Zhaosheng; Kou Jiahui; Yu Tao; Zou Zhigang

2007-01-01

In this paper, sensitized ZnS with visible light driven photocatlytic ability was successfully prepared. The obtained ZnS was characterized by x-ray diffraction, UV-visible diffuse reflectance spectra and Fourier transform infrared spectra. The photocatalytic property of the prepared ZnS was evaluated by decomposing methyl orange (MO). These sensitized ZnS powders with a proper molar ratio showed higher photocatalytic activity than TiO 2 (P25) under visible light (λ > 420 nm) irradiation. A possible explanation for the visible light activity of the prepared ZnS was proposed

Competition of the self-activated and Mn-related luminescence in ZnS single crystals

Science.gov (United States)

Bacherikov, Yu. Yu.; Vorona, I. P.; Markevich, I. V.; Korsunska, N. O.; Kurichka, R. V.

2018-06-01

The photoluminescence (PL) and photoluminescence excitation (PLE) spectra of ZnS single crystals thermally doped from ZnS/MnS mixture were studied at 300 and 77 K. PL spectra exhibit bands caused by Mn-related centers and centers of self-activated (SA) emission. Besides intrinsic maximum, a number of narrow peaks corresponded to Mn-related absorption are found in the PLE spectra of both SA and Mn-related emission. A redistribution of SA and Mn-related emission intensities is observed with temperature change. The mechanism of this phenomenon involving free hole trapping by MnZn and the possible position of a ground energy level of substitutional Mn are discussed.

Effect of thermal annealing on the structure and magnetism of Fe-doped ZnO nanocrystals synthesized by solid state reaction

Science.gov (United States)

Wang, Dong; Chen, Z. Q.; Wang, D. D.; Gong, J.; Cao, C. Y.; Tang, Z.; Huang, L. R.

2010-11-01

High purity Fe 2O 3/ZnO nanocomposites were annealed in air at different temperatures between 100 and 1200 °C to get Fe-doped ZnO nanocrystals. The structure and grain size of the Fe 2O 3/ZnO nanocomposites were investigated by X-ray diffraction 2θ scans. Annealing induces an increase of the grain size from 25 to 195 nm and appearance of franklinite phase of ZnFe 2O 4. Positron annihilation measurements reveal large number of vacancy defects in the interface region of the Fe 2O 3/ZnO nanocomposites, and they are gradually recovered with increasing annealing temperature. After annealing at temperatures higher than 1000 °C, the number of vacancies decreases to the lower detection limit of positrons. Room temperature ferromagnetism can be observed in Fe-doped ZnO nanocrystals using physical properties measurement system. The ferromagnetism remains after annealing up to 1000 °C, suggesting that it is not related with the interfacial defects.

Effect of thermal annealing on the structure and magnetism of Fe-doped ZnO nanocrystals synthesized by solid state reaction