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Evaluation of Cu–MgFe2O4 spinel nanoparticles for photocatalytic and antimicrobial activates J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-24 Mary George; T.L. Ajeesha; A. Manikandan; Ashwini Anantharaman; R.S. Jansi; E. Ranjith Kumar; Y. Slimani; M.A. Almessiere; A. Baykal
Organic pollutant discharges to water bodies are found to be toxic. A simple chemical co-precipitation method has been adopted for the preparation of Cu–MgFe2O4 nanoparticles, because photocatalysts can extract dye pollutants from wastewater. Phase evaluation, microstructure, magnetic and electrical properties were studied. The spinel structure was examined by the X-ray diffractometer (XRD) and the
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Vacancy-induced structural, electronic and optical properties of Hf2CO2 MXene J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-27 Shan-Shan Li; Xiao-Hong Li; Hong-Ling Cui; Rui-Zhou Zhang
Two-dimensional materials have been widely studied in recent years due to their excellent properties. In this paper, we investigate the structural, electronic and optical properties of pristine and vacancy defect Hf2CO2 using first-principles calculations. The results indicate that O-vacancy (VO) is energetically more favorable than C-vacancy (VC) and Hf-vacancy (VHf) using analysis of vacancy formation
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Investigation of the supercapacitance of ruthenium-based/ hemp stem activated carbon J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-27 Jiamin Zhang; Yunbiao Duan; Zhongming Jiang; Tianyou Chen; Kaizhao Wang; Kaijun Wang; Weijun Zhang; Jin Hu
This work presents the synthesis of amorphous ruthenium-based/hemp stem activated carbon (HSAC) composites by a liquid phase co-precipitation method. It is the first time that a solution of tetramethylammonium bicarbonate is used as the precipitant. The result reveals that the as-synthesized ruthenium oxide particles are small in size and homogenously distributed on the activated carbon surface. Cyclic
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Enhancing the photodegradation of phenol using Fe3O4/SiO2 binary nanocomposite mediated by silane agent J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-27 Ghani Ur Rehman; Muhammad Tahir; Pei Sean Goh; Ahmad Fauzi Ismail; Asif Hafeez; Imran Ullah Khan
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Quantum transport properties of gas molecules adsorbed on Fe doped armchair graphene nanoribbons: A first principle study J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-03-03 Hachemi Zitoune; Christophe Adessi; Lotfi Benchallal; Madani Samah
Graphene, when doped with transition metals, is considered, both experimentally and theoretically, as a good candidate for the detection of gas molecules as CO, CO2, NO or NO2. This opens new perspectives for gas sensor set-ups considering that devices based on 2 dimensional graphene are more sensitive to detect molecules than solid-state gas sensors. The state of the arts on gas adsorption on Fe doped
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Non-thermal plasma jet-assisted development of phosphorus-containing functional coatings on 3D-printed PCL scaffolds intended for bone tissue engineering J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-03-03 K. Navaneetha Pandiyaraj; Rouba Ghobeira; Parinaz Saadat Esbah Tabaei; Pieter Cools; Nathalie De Geyter; Rino Morent; R.R. Deshmukh
The goal of this study was the exclusive deposition of phosphorus-containing coatings via the non-thermal plasma polymerization of triisopropyl phosphate (TIPP) on 3D-printed poly-ε-caprolactone (PCL) scaffolds intended for bone tissue engineering. Given the difficulty of implementing a homogeneous surface treatment throughout porous scaffolds, a novel and appropriate atmospheric pressure plasma jet
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Single atom based electrocatalysts for oxygen reduction reaction in polymer electrolyte membrane fuel cell: Recent advances, challenges and future perspectives J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-16 Maryam Kiani; Xiao Qing Tian; Wenxing Zhang
Renewable energy is highly fascinating due to the essential power demand, continuous increase in oil costs and environmental concerns. Among the various renewable energy sources, the fuel cell is more appealing because of the higher efficiency and cost-effective power source. The critical problem in the wide-range commercial application of polymer electrolyte membrane fuel cell is the use of platinum
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Sensitization of TiO2 nanotube arrays photoelectrode via homogeneous distribution of CdSe nanoparticles by electrodeposition techniques J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-23 Asmaa Kadim Ayal; Zulkarnain Zainal; Araa Mebdir Holi; Hong-Ngee Lim; Zainal Abidin Talib; Ying-Chin Lim
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Crystal structure, hirshfeld surface analysis and phase transformation behaviour of diisopropylammonium chloride hemihydrate crystals J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-24 Sampathkumar Pongiappan; Srinivasan Karuppannan
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Magnetic nanoparticles supported N-heterocyclic palladium complex: Synthesis and catalytic evaluations in Suzuki cross-coupling reaction J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-24 Yahao Dong; Fengjun Xue; Yuping Wei
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Growth, single-crystal structure, and magnetic properties of the double molybdate KYb(MoO4)2 J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-03-02 P. Armand; C. Reibel; D. Granier; M. Tillard
Crystals of the rare earth double molybdate KYb(MoO4)2 were grown by spontaneous nucleation from a K2Mo4O13 flux. The typical crystals were colorless and elongated, well-developed plates. The material has been characterized by powder X-ray diffraction (PXRD), energy-dispersive X-ray spectrometry (EDS), and Raman spectroscopy methods. The structural properties have been investigated through single-crystal
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Synergistic effect for the degradation of tetracycline by rGO-Co3O4 assisted persulfate activation J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-24 Viet Cuong Dang; Dinh Trinh Tran; Anh Tuan Phan; Ngoc Khanh Pham; Van Noi Nguyen
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Spectro-nanoscopic investigation of oxidation-state changes of Ni, Co, and Mn ions in LixNi0.88Co0.08Mn0.04O2 primary particles by annealing J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-19 Hyun-Joon Shin; Mikang Kim; Namdong Kim; Hee Seob Kim; Hyeong-Do Kim; Changhoon Jung; Jae Gwan Chung; Ki Hong Kim; Woosung Jeon
Submicron-size primary particles of LixNi0.88Co0.08Mn0.04O2 cathode material for next-generation lithium-ion-battery (LIB) application were prepared and annealed in-situ from room temperature (RT) to 200 and 400 ̊C, respectively, and their space-resolved Ni L3-, Co L3-, Mn L3-and O K-edge x-ray absorption spectra were acquired by scanning transmission x-ray microscopy (STXM). The aim was to investigate
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Green synthesis of NiO nanoparticles using Nigella sativa extractand their enhanced electro-catalytic activity for the 4-nitrophenol degradation J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-27 Moussa BOUDIAF; Youcef MESSAI; Embarek BENTOUHAMI; Marck SCHMUTZ; Christian BLANCK; Laurent RUHLMANN; Hamza BEZZI; Latifa TAIRI; Djamel Eddine MEKKI
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Phase transition, electronic transitions and visible light driven enhanced photocatalytic activity of Eu-Ni co-doped bismuth ferrite nanoparticles J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-27 Subhra S. Brahma; Jyotirmayee Nanda; Naresh K. Sahoo; B. Naik; Anup Anang Das
This article focusses on the detailed structural and optical properties of ‘Eu’ and ‘Ni’ co-substituted Bismuth Ferrite nanoparticles synthesized using the sol-gel method. Raman analysis have confirmed the substitution induced structural distortion leading to the co-existence of Rhombohedral and Orthorhombic structures supporting the XRD and Rietveld Refinement results. Morphological studies using
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Effect of Spin-Orbital Coupling on the Electronic, Mechanical, Thermoelectric, and Vibrational Properties of XPtBi (X = Sc and Y): A First-Principles Study J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-27 Megha Goyal; M.M. Sinha
Heusler compounds constitute a versatile class of materials, as evidenced by their numerous technological applications. Herein, we report a comparative study of the electronic, mechanical, vibrational, and thermoelectric properties of half-Heusler compounds XPtBi (X = Sc and Y) based on first-principles calculations, with and without spin-orbital coupling (SOC). The plane-wave pseudo-potential approach
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First principles investigation of structural, electronic and optical properties of synthesized radiaannulene oligomers for 6,6,12-graphyne J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-16 Subhadip Nath; Arka Bandyopadhyay; Sabyasachi Sen; Debnarayan Jana
6,6,12-graphyne is the first non-hexagonal lattice that evinced graphene like Dirac fermions. The oligomers of this fascinating carbon system have recently been synthesized via iterative acetylenic coupling reactions. In this work, we have critically explored the characterizing Raman spectra, electronic and optical properties of these synthesized compounds from a theoretical perspective. The experimental
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PMMA passivated CsPbI2Br perovskite film for highly efficient and stable solar cells J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-20 Beilei Yuan; Chen Li; Wencai Yi; Fangying Juan; Huanqin Yu; Fan Xu; Cuncheng Li; Bingqiang Cao
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Influence of Mn and Co doping on optical and magnetic properties in 3C–SiC J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-20 Long Lin; Linwei Yao; Shaofei Li; Zhengguang Shi; Kun Xie; Jingtao Huang; Hualong Tao; Zhi Zhang
Diluted magnetic semiconductors with magneto-optical properties have very attractive properties in many applications (optical magnetic modulation). However, the major challenge limiting its further development is the ability to have excellent optical properties at room temperature. Through the first principle calculation of GGA + U method based on DFT calculation, we systematically calculated the electronic
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Investigation of physico-chemical and catalytic properties of the coating layer of silica-coated iron oxide magnetic nanoparticles J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-20 A. Lazzarini; R. Colaiezzi; M. Passacantando; F. D'Orazio; L. Arrizza; F. Ferella; M. Crucianelli
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Valence state and active site of CeO2-WO3 catalysts supported on CNT J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-13 Jaekwang Lee; Myungju Kim; Gwanhee Park; Taewoo Kim; Seunghyeon Jo; Heesoo Lee
The redox properties of CeO2-WO3 mixed oxide supported on multi-walled carbon nanotubes (MWCNTs) and TiO2 were investigated in terms of valence state and active oxygen species. Ce–W/CNT and Ce–W/TiO2 were synthesized by impregnation method to support CeO2-WO3 mixed oxide on CNTs and TiO2. The interplanar distance of CeO2 in Ce–W/CNT was measured to be 0.316 nm by TEM and SAED pattern analysis, which
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Stability, and electronic and optical properties of ternary nitride phases of MgSnN2: A first-principles study J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-26 B.B. Dumre; D. Gall; S.V. Khare
We have studied the disordered rocksalt, orthorhombic, and disordered wurtzite phases of the ternary nitride semiconductor MgSnN2 by first-principles methods using density functional theory (DFT) and beyond. The results imply that MgSnN2 is mechanically and dynamically stable in all three phases. However, pCOHP analysis suggests that the disordered rocksalt structure has antibonding states below the
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First-principles study of structural, electronic, and thermal conductivity properties of monolayer SrFBr J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-18 Jing Tan; Qi-Dong Hao; Zhao-Yi Zeng; Xiang-Rong Chen; Hua-Yun Geng
We have carried out first-principles calculations on structural, electronic, carrier mobility and thermal transport properties of monolayer SrFBr. The dynamic, energetic, mechanical and thermodynamic stability of monolayer SrFBr is all confirmed. It is found that the monolayer SrFBr processes a direct bandgap of 5.23 eV (6.41 eV) obtained by PBE (HSE06), larger than many other 2D materials, and the
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Spin Polarized Thermoelectric Feature of Graphitic Carbon Nitride nanoribbon: An in-silico study J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-24 Sayantanu Koley; Rinki Bhowmick; Sabyasachi Sen; Swapan Chakrabarti
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Photoluminescence up-conversion and cathodoluminescence in quaternary CdxZnyOγSδ nanoparticles embedded on zeolite J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-23 Oscar E. Jaime-Acuña; Roberto E. San-Juan Farfán; Humberto Villavicencio; Manuel Herrera; Oscar Raymond-Herrera
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Iron oxidation state in La0.7Sr1.3Fe0.7Ti0.3O4 and La0.5Sr1.5Fe0.5Ti0.5O4 layered perovskites: Magnetic properties J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-09 T.P. Gavrilova; A.R. Yagfarova; Yu.A. Deeva; I.V. Yatsyk; I.F. Gilmutdinov; M.A. Cherosov; F.G. Vagizov; T.I. Chupakhina; R.M. Eremina
La0.5Sr1.5Fe0.5Ti0.5O4 and La0.7Sr1.3Fe0.7Ti0.3O4 solid solutions with the layered perovskite structure were synthesized using a solid state method. Structural properties of obtained samples were characterized using X-ray diffraction and X-ray fluorescence analyses. Magnetic properties were investigated using magnetometry, electron spin resonance (ESR) and Mössbauer spectroscopy methods. Based on magnetization
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Carbon supported tin sulfide anodes for potassium-ion batteries J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-13 Jiandongyong Liu; Xu Yu; Jingze Bao; Chuan-Fu Sun; Yafeng Li
Carbon-supported SnS composite was prepared via a solvothermal process followed by thermal calcination. The carbon nanosheets could not only ensure electron conduction within the composite but also alleviate the volume change of SnS during the charging/discharging process. As a result, when employed as an anode material for potassium-ion batteries, the composite delivers good potassium storage performance
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Magnetodielectric study of BiFeO3 synthesized by assisted high-energy ball milling J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-13 J.P. Martínez-Pérez; A.M. Bolarín-Miró; C.A. Cortés- Escobedo; M. Ramírez-Cardona; F. Sánchez-De Jesús
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Enhanced photocatalytic performance of ZnO/Bi2WO6 heterojunctions toward photodegradation of fluoroquinolone-based antibiotics in wastewater J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-14 Tammanoon Chankhanittha; Varanya Somaudon; Tanyaporn Photiwat; Sujittra Youngme; Khuanjit Hemavibool; Suwat Nanan
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Amorphous zircon at high pressure J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-06 Süleyman Bolat; Murat Durandurdu
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The effect of rGO-Fe2O3 nanocomposites with spherical, hollow and fusiform microstructures on the thermal decomposition of TKX-50 J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-02 Ming Zhang; Fengqi Zhao; Yanjing Yang; Hui Li; Ting An; Jiankan Zhang
rGO-Fe2O3 nanocomposites with spherical, hollow and fusiform Fe2O3 (s, h and f) microstructures have been successfully fabricated using DMF as solvent via a facile solvothermal method. The morphologies and compositions of the as-synthesized rGO-Fe2O3 (s, h and f) nanocomposites were systematically studied using SEM, TEM, XRD, FTIR, RAMAN and XPS analysis. The rGO-Fe2O3 (s, h and f) nanocomposites were
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Effect of a magnetic field in an S = 1 antiferromagnetic chain with single-ion anisotropy and alternating bonds with disorder J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-07 Octavio D.R. Salmon; Minos A. Neto; Nilton S. Branco; E.A. Cotta; H.D. Fonseca Filho; Jonathas N. Silva
In this study, we investigated the quantization of magnetization at low temperatures in a spin-1 antiferromagnetic chain with single-ion anisotropy by considering the quenched disorder in alternating bonds. Each spin i interacts with its nearest neighbors via Ji and αJi couplings, where Ji is considered to obey a Gaussian or Bernoulli probability distribution function, with width σ. Zero temperature
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Specific Heat, Thermal Diffusivity, and Thermal Conductivity of Ag-Si Alloys within a Wide Temperature Range of 293∼823 K J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-13 H.M. Chen; Q. Wang; D.L. Geng; H.P. Wang
The laser flash method was employed to explore the heat transfer behaviors of Ag-x at.% Si (where x=0, 5, 11, 25, 50, 75 and 100) alloys over a wide temperature range from 293 to 823 K. The temperature dependency of specific heat and thermal diffusivity were determined by a differential scanning calorimeter and laser flash equipment. Accordingly, the thermal conductivity of Ag-Si alloys was derived
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Sensitivity of As K-edge absorption to rare earth (RE) doping in Ca1−xRExFeAs2: A first principles study J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-13 Soumyadeep Ghosh; Haranath Ghosh
Systematic density functional theory-based first principles studies on As K-edge electron energy loss near edge structures are presented for rare earth (RE)-doped iron-based superconducting materials Ca1−xRExFeAs2 (known as 112 compounds). The As K-edge electron energy losses near edge differ for two different types of As atoms (belonging to Fe-As plane and As2 chains between the planes). The As K-edge
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Analysis of the conductive properties and structural surroundings of sodium ions in GeGaSbS sulfur glass system J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-13 Haiyang Shan; Qing Jiao; Yeting Zhang; Baochen Ma; Pingping Dong; Tiefeng Xu
Sodium-ion-doped glass ceramics may potentially be used as solid electrolytes. In this study, a novel sulfide-based sodium-ion electrolyte, namely Ga4Ge12Sb64S128–xNaI (x = 5–25), with an optimized network structure and good physical properties, has been prepared by a melting and milling route. The properties of this novel electrolyte have been investigated by Raman spectroscopy, differential scanning
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Electronic topological transitions and vibrational properties of A-15 type X3Y (X= V, Cr and Mo; Y= Os, Ir and Pt) compounds: A first-principles study J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-01 P. Rambabu; Giuseppe Zollo; V. Kanchana
Ab-initio studies of A-15 type X3Y (X = V, Cr and Mo; Y= Os, Ir and Pt) compounds are presented at ambient and high pressures. All the studied compounds satisfy the mechanical stability criteria and are also dynamically stable as evidenced from the positive phonon dispersion curves. Camels back type band structure features are observed at Fermi level in some of the investigated compounds. Electronic
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Facile preparation of nanostructured Pd-Sch-δ-FeOOH particles: A highly effective and easily retrievable catalyst for aryl halide cyanation and p-nitrophenol reduction J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-25 Melike Çalışkan; Talat Baran; Mahmoud Nasrollahzadeh
Iron based compounds are good candidates as supports to immobilize different transition metals due to their eco-friendly nature, capability of facilitating chemical modifications, inexpensiveness, high stability and easy recoverability. In this study, palladium nanoparticles (Pd NPs) were successfully stabilized on designed Schiff base modified δ-FeOOH particles as a highly effective and readily recoverable
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Mn-for-Fe substitution in Fe1-xMnxIn2S4 thiospinel – Crystal structure and thermoelectric properties J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-29 Paweł Wyżga; Igor Veremchuk; Primož Koželj; Andreas Leithe-Jasper; Roman Gumeniuk
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The lithium ion storage performance of ZnSe particles with stable electrochemical reaction interfaces improved by carbon coating J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-30 Fanjun Kong; Jihui Zheng; Jiyun Chen; Xingjiang Li; Shi Tao; Bin Qian
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Effect of TiO2 nanoparticles on the structural configurations and thermal, mechanical, and optical properties of chitosan/TiO2 nanoparticle composites J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-03 Elham M. Hussein; Waled M. Desoky; Magda F. Hanafy; Osiris W. Guirguis
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Yolk-shell Si@void@C composite with Chito-oligosaccharide as a C–N precursor for high capacity anode in lithium-ion batteries J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-19 Tan Shao; Jian Liu; Lihui Gan; Zhengliang Gong; Minnan Long
The yolk-shell structure of Si@void@C anode for lithium ion batteries with Chito-oligosaccharide (COS) as carbon and nitrogen source was successfully prepared by using a newly designed method. As a low-molecular-weight precursor, COS is completely soluble in an aqueous solution to make the composite more homogeneous. The COS derived carbon has a higher porosity than macromolecules derived carbon, providing
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Role of annealing temperature in tailoring Ce-Doped LaFeO3 features J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-29 M.M. Arman; S.I. El-Dek
Recently, LaFeO3 has become the focus of intense research effort because it is a room-temperature single-phase multiferroic. Here, La0.80Ce0.20FeO3 nanoparticles have been prepared as a single phase on the nanoscale by a flash combustion methodology. The powder was annealed at different temperatures to investigate the influence of the annealing temperature on the physico-chemical features. X-ray diffraction
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The crystal-field level scheme of fn J multiplets under cubic crystal-field with three-fold quantization axis J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-27 Debasmita Chakraborty; Yatramohan Jana; Sayan Bandyopadhyay; Trishit Modak
The effect of crystal-field Hamiltonian with cubic symmetry acting upon different angular momenta J-manifolds between 2 and 8 has been investigated considering the quantization axis along body diagonal [111] axis of the cube. The eigen-values and eigen-functions are numerically computed as a function of the ratio between the fourth and sixth degree terms of the cubic Hamiltonian, expressed in terms
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Bismuth containing fluorozirconate glasses doped with BiPO4. A glass formation, structural, crystallization and luminescent properties J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-28 L.N. Ignatieva; Yu.V. Marchenko; N.N. Savchenko; E.B. Merkulov; A.G. Mirochnik
A series of the bismuth containing fluorozirconate glasses are synthesized in the ZrF4–BiF3–BiPO4, ZrF4–BiF3-MF-BiPO4 (M − Li, Na, K) and ZrF4–BiF3–Ba(Pb)F2–BiPO4 systems. The introduction of the BiPO4 component into the bismuthfluorozirconate system led to increases in the glass transition and crystallization onset temperatures, thermal stability and crystallization resistance of the glass. The possibility
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Modeling kaolinite electrical features under pressure using Pseudo Random Renormalization Group method at the audio frequency range J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-02-01 Mohamed M. Gomaa
Few reports are displayed on relation between electrical characteristics of rocks and pressure. The objective of this article is the interpretation and modeling of experimental kaolinite specimens under various pressures (0- ~4.5 Kb, at ~50% humidity), and frequency (10 Hz - 10 kHz). Complex impedance measurements were performed for samples. At low pressure range (≤1 Kb); the reliance of the experimental
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Evaluation of the influence of Al2O3 nanoparticles on the thermal stability and optical and electrochemical properties of PANI-derived matrix reinforced conducting polymer composites J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-26 L. Maaza; F. Djafri; A. Belmokhtar; A. Benyoucef
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Exciton dissociation in correlated molecular photocells J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-29 Fernando Sánchez; Carlos Amador-Bedolla; Vicenta Sánchez; Chumin Wang
Electron-hole separation is a crucial process for the photocurrent generation in organic solar cells, where the interaction of molecular photocells and its influence on the energy conversion efficiency are studied by means of an attractive Hubbard model on an excitonic-state lattice, whose impurity sites originated from the local electron-hole interaction inhibit a reciprocal-space analysis. Alternatively
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Supercapacitor and room temperature H, CO2 and CH4 gas storage characteristics of commercial nanoporous activated carbon J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-25 A. Ramesh; M. Jeyavelan; J.A. Alex Rajju Balan; O.N. Srivastava; M. Sterlin Leo Hudson
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Electrospun MgCo2O4 nanofibers as an efficient electrode material for pseudocapacitor applications: Effect of calcination temperature on electrochemical performance J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-30 M. Mahinzad Ghaziani; J. Mazloom; F.E. Ghodsi
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Structural properties of ferroelectric characteristics of mixed NiTiO3-BiFeO3 thin film by the sol-gel method J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-31 Ching-Hung Chen; Jim-Long Her; Tung-Ming Pan
In this study, we studied the structural properties and ferroelectric characteristics of the pure BeFiO3 (BFO) and mixed NiTiO3-BiFeO3 (NTO-BFO) thin films by the sol-gel method and spin-coating process. We employed atomic force microscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, X-ray diffraction, and transmission electron microscopy to analyze the surface roughness
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Effect of morphology on the hydrogen production of V2O5 nano/micro-particles synthesized by a biodegradable template J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-28 C. Gomez-Solis; J. Oliva; E. Puentes-Prado; F. Badillo; C.R. Garcia
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Theoretical modification of C24 fullerene with single and multiple alkaline earth metal atoms for their potential use as NLO materials J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-26 Naveen Kosar; Hira Tahir; Khurshid Ayub; Mazhar Amjad Gilani; Tariq Mahmood
Density functional theory (DFT) calculations have been performed for the single and multi-alkaline earth metal atoms doped C24 fullerene. All possible orientations have been optimized with different spin states to achieve the most stable geometry. Be4@C24 shows the highest interaction energy of −182.87 kcal mol−1 among all complexes. The H-Lgap is increased in single doped complexes but is fairly reduced
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A comparative study on the nuclear shielding properties of BiBr3 and PbSO4 incorporated composites J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-28 F. Akman; M.R. Kaçal; H. Polat; G. Aktas; A. Gultekin; O. Agar
Detailed investigations on the photon and neutron attenuation properties of various BiBr3 and PbSO4 incorporated polyester composites have been carried out in terms of evaluating their potential use as new radiation shielding materials. Utilizing HPGe detector-based γ-ray spectrometry, the mass attenuation coefficient values of the polyester materials were calculated over a wide photon energy range
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Preparation of SnS2/enteromorpha prolifera derived carbon composite and its performance of sodium-ion batteries J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-30 Xiaotong He; Junbin Liu; Biyu Kang; Xinye Li; Lingxing Zeng; Yanru Liu; Jianbin Qiu; Qingrong Qian; Mingdeng Wei; Qinghua Chen
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Cyclotron–interface phonon resonance line-width in asymmetric semiparabolic quantum wells J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-28 Le Thi Quynh Huong; Le Ngoc Minh; Le Dinh; Nguyen Dinh Hien
In this study, we investigated the cyclotron–interface phonon resonance line-width in GaAs/AlAs asymmetric semiparabolic quantum wells when electrons are scattered by symmetric (antisymmetric) interface optical phonons. The operator projection and profile methods were employed to calculate the expressions for the absorption power and the full width at half maximum (FWHM), respectively. We found that
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Computational and experimental evidence of Pd supported P-doped porous graphitic carbon nitride as a highly efficient and exceptionally durable photocatalyst for boosted visible-light-driven benzyl alcohol oxidation J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-30 Azra Bagherzade; Firouzeh Nemati; Hossein Taherpour Nahzomi
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Synthesis of single-walled, bamboo-shaped and Y-junction carbon nanotubes using microwave plasma CVD on low-temperature and chemically processed catalysts J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-27 Ajay Roy; Debajyoti Das
The low temperature nucleation and high yield growth of CNTs with their diverse range of layered structures and shapes is of significant interest to the research community in view of obtaining distinctive properties necessary for specific applications. In this regard, several strategies have been employed to control the growth characteristics of CNTs. In the present investigation, the low temperature
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Arsenic sensing using Al/Fe doped armchair graphene nanoribbons: Theoretical investigations J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-26 Lovleen Kaur; Suman Mahendia; Sangeeta Saini; Anurag Srivastava
Comparative computational analysis of electrical sensing capabilities of AGNR, Al-doped AGNR and Fe-doped AGNR towards arsenic species in +3 and + 5 oxidation states is presented. For this adsorption studies of arsenous and arsenic acid in different orientations on pristine and metal-doped AGNR are carried out. The adsorption energy (Eads) of arsenous acid on doped-AGNRs is nearly same (~-1.70 eV in
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Adsorbed of toxic gas molecules (CO, H2S, and NO) on alkali-metal-doped g-GaN monolayer J. Phys. Chem. Solids (IF 3.442) Pub Date : 2020-11-23 Yanpeng Zheng; Enling Li; Chang Liu; Kaifei Bai; Zhen Cui; Deming Ma
Using the first-principles calculation, based on density functional theory, the geometric structures, electronic, magnetic, and optical properties of CO, H2S, and NO toxic gas molecules adsorbed on alkali metals (Li, Na, K, Rb, and Cs) doped g-GaN monolayer have been investigated. The adsorbed systems have induced magnetic property except H2S adsorbed on Na doped g-GaN monolayer, the total magnetic
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Poly(sodium styrene sulfonate) functionalized graphene as a highly efficient adsorbent for cationic dye removal with a green regeneration strategy J. Phys. Chem. Solids (IF 3.442) Pub Date : 2021-01-27 Mengru Hong; Yake Wang; Rong Wang; Yuanqiang Sun; Ran Yang; Lingbo Qu; Zhaohui Li