Journal of Physics and Chemistry of Solids最新文献_第10页

Harnessing the synergistic effect of CuO@Fe3O4/n-Si for high-efficiency photodiodes 利用 CuO@Fe3O4/n-Si 的协同效应制造高效光电二极管

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-26 DOI: 10.1016/j.jpcs.2024.112359

A. Murugan , Chitirala Rohit , Amanullah Fatehmulla , Sahariya Priya , Sung Soo Han , Shaik Babu , S. Bharathkumar , Sakar Mohan , Hector Valdes

{"title":"Harnessing the synergistic effect of CuO@Fe3O4/n-Si for high-efficiency photodiodes","authors":"A. Murugan , Chitirala Rohit , Amanullah Fatehmulla , Sahariya Priya , Sung Soo Han , Shaik Babu , S. Bharathkumar , Sakar Mohan , Hector Valdes","doi":"10.1016/j.jpcs.2024.112359","DOIUrl":"10.1016/j.jpcs.2024.112359","url":null,"abstract":"<div><div>High-performance photodetectors were fabricated using drop-casting method, employing pure CuO, Fe3O4 and CuO@Fe3O4 nanocomposite (NC). These devices aim to achieve enhanced responsivity (R), photosensitivity (Ps), detectivity (D∗), and external quantum efficiency (EQE). The XRD results indicate that the crystallite size of the CuO@Fe3O4 NC was reduced to around 20 nm, compared to 23 nm for pure CuO and 25 nm for pure Fe3O4. In addition, phase purity and functional groups were corroborated by Raman and FTIR analysis, supporting these findings. The bandgap energy of pure CuO and Fe3O4 was estimated to be around 1.25 and 1.22 eV, respectively, while the CuO@Fe3O4 NC exhibited a lower bandgap energy of 1.13 eV due to the interface between CuO and Fe3O4. Notably, the fabricated CuO@Fe₃O₄/n-Si photodiode exhibited excellent rectification properties under illumination, with an ideality factor (n) of 2.87 and a barrier height (ΦB) of 0.83 eV. The device achieved high Ps of 773.4 %, R of 542.6 mA/W, EQE of 208.7 %, and D∗ of 2.91 × 1012 Jones, demonstrating that the CuO@Fe3O4 NC is the most effective material for photodetection in this study.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112359"},"PeriodicalIF":4.3,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358162","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Appearance of topological phase in YAs semimetal under hydrostatic pressure and epitaxial strain 静水压力和外延应变下 YAs 半金属中拓扑相的出现

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-25 DOI: 10.1016/j.jpcs.2024.112356

Ramesh Kumar, Mukhtiyar Singh

{"title":"Appearance of topological phase in YAs semimetal under hydrostatic pressure and epitaxial strain","authors":"Ramesh Kumar, Mukhtiyar Singh","doi":"10.1016/j.jpcs.2024.112356","DOIUrl":"10.1016/j.jpcs.2024.112356","url":null,"abstract":"<div><div>By means of hybrid density functional theory, we present the evolution of the topological phase in rare earth monopnictide YAs with hydrostatic pressure and epitaxial strain. This material exists in NaCl-type structure at ambient conditions and shows structural phase transition into CsCl-type structure at 56.54 GPa hydrostatic pressure. The epitaxial strain reduces the structure into a compressed tetragonal-type. The thermodynamical and dynamical stability of the material is established with the calculation of enthalpy and phonon band structure within structural phase transition, respectively. The topologically trivial phase of the material is observed at ambient pressure in agreement with previous reports. This material shows topological phase transition at 24.8 GPa applied hydrostatic pressure and 10% epitaxial strain. The band inversion at the X-point between d-Y and p-As orbitals is verified with the help of the product of parity analysis of all the filled bands. The presence of the Dirac cone in the (001) plane and the existence of topologically non-trivial states at <math><mrow><mover><mi>M</mi><mo>‾</mo></mover></mrow></math>-point in the Fermi arc contour also established our claim. The Z2 indices are calculated with the help of the product of parities and a change in Z2 indices from (0; 000) to (1; 000) is also verified with the evolution of Wannier change centers under the conditions of applied hydrostatic pressure and epitaxial strain. The time reversal and inversion symmetries are preserved throughout the study and the topological phase transition at 24.8 GPa is much lower than the structural phase transition pressure i.e., 56.54 GPa.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112356"},"PeriodicalIF":4.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142322354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhancement of LiFePO4 cathodic material through incorporation of reduced graphene oxide via a simple two-step procedure 通过简单的两步程序加入还原氧化石墨烯，增强 LiFePO4 阴极材料的性能

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-25 DOI: 10.1016/j.jpcs.2024.112353

M.P. Quiroga Argañaraz , K. Jori , J.M. Ramallo-López , A. Visintin , F.G. Requejo , M.G. Ortiz

{"title":"Enhancement of LiFePO4 cathodic material through incorporation of reduced graphene oxide via a simple two-step procedure","authors":"M.P. Quiroga Argañaraz , K. Jori , J.M. Ramallo-López , A. Visintin , F.G. Requejo , M.G. Ortiz","doi":"10.1016/j.jpcs.2024.112353","DOIUrl":"10.1016/j.jpcs.2024.112353","url":null,"abstract":"<div><div>The aim of the present work is the improvement of LiFePO4 (LFP) as cathodic material for Lithium Batteries (LIBs) by controlled incorporation of graphene oxide (GO) and its subsequent reduction during LFP synthesis. The electrochemical performance of the samples is analysed after reduction treatment of GO in different steps of the synthesis. The purpose of the reduction is to provide LFP particles with higher conductivity through a uniform conductive carbon coating that facilitates the migration of Li+ ions in the cathode for charge-discharge process. These electrochemical measurements revealed an initial discharge capacity of 70.19 mAh g−1 for LFP without GO, 141.3 mAh g−1 and 154.3 mAh g−1 with GO added in heat-treatment and solvothermal step, at 0.5C rate, respectively. Additionally, the cycling stability of the samples with GO improves the corresponding one obtained for pristine LFP. At 0.5C rate cycle-life, the LFP with GO combined with raw materials during solvothermal synthesis, attained capacity retention of 99 % after 100 cycles, decreasing to values of 88 % and 87 % for LFP with GO incorporated just before thermal treatment and LFP without GO. These results indicate that the LFP with GO incorporated initially in the synthesis improves rate capability of the material, reaching reversible capacity of 158.5 mAh g−1 at 0.1C, 154.4 mAh g−1 at 0.2C, 151.3 mAh g−1 at 0.5C, 122.7 mAh g−1 at 1C and 112.6 mAh g−1 at 2C. The improvement in electrochemical behaviour can be attributed to the optimization of the synthesis process that provides a well-crosslinked interior of the composite and, therefore, a stable conductive network which has an associated higher diffusion coefficient.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112353"},"PeriodicalIF":4.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fabrication of NbTe2@rGO nanosheet by hydrothermal route for cost-effective supercapacitor electrode 通过水热法制备 NbTe2@rGO 纳米片，实现经济高效的超级电容器电极

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-23 DOI: 10.1016/j.jpcs.2024.112354

Mukhtiar Hussain , Ashraf M.M. Abdelbacki , Muhammad Saleem , Muhammad Aslam , Mahmood Ali

{"title":"Fabrication of NbTe2@rGO nanosheet by hydrothermal route for cost-effective supercapacitor electrode","authors":"Mukhtiar Hussain , Ashraf M.M. Abdelbacki , Muhammad Saleem , Muhammad Aslam , Mahmood Ali","doi":"10.1016/j.jpcs.2024.112354","DOIUrl":"10.1016/j.jpcs.2024.112354","url":null,"abstract":"<div><div>The expansion of energy storage devices with extensive stability and high energy density is a crucial area of research that requires immediate attention. In light of these requirements, it was worth noting that supercapacitor (SCs) exhibit great potential as viable options for achieving these demands. Supercapacitor (SCs) despite their potential currently exhibit energy density levels that fall short of the necessary threshold for long-term applications. This limitation primarily stems from the challenge of identifying the ideal materials to enhance their performance. However, transition metal tellurides have a well-studied group of materials that have garnered noticeable consideration because of high energy density. Herein, we present a novel hydrothermal method that involves the fabrication of reduced graphene oxide (rGO) nanosheet combined with niobium telluride (NbTe2) material. However, the NbTe2@rGO nanohybrid's specific capacitance (Csp) was 1475 F g−1, which was approximately twice as high as the specific capacitance of the NbTe2 (667 F g−1) electrode with a specific capacity of 826 C/g at 1 A g−1 which could be ascribed to interconnection between nanoparticles and nanosheets in the NbTe2@rGO nanohybrid with lower Rct = 0.02 Ω and outstanding cycling stability even after undergoing 7000th cycles with a capacitance retention of (97 %). The NbTe2@rGO nanohybrid demonstrated an impressive power density of 285 W kg−1 and energy density of 22 Wh kg−1 at 1 A g−1 in its symmetric two-electrode performance. The findings of this investigation suggested that NbTe2@rGO nanohybrid exhibits promising material for future energy storing devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112354"},"PeriodicalIF":4.3,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142654901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

X-ray induced synthesis of beta tin (β-Sn) X 射线诱导合成β锡（β-Sn）

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-21 DOI: 10.1016/j.jpcs.2024.112351

Trimaan Malik , Petrika Cifligu , Michael Pravica , Changyong Park , Egor Evlyukhin

引用次数: 0

Improving cycling performance and high rate capability of LiNi0.5Mn0.3Co0.2O2 cathode materials by sol-gel combustion synthesis 通过溶胶-凝胶燃烧合成提高 LiNi0.5Mn0.3Co0.2O2 正极材料的循环性能和高速率能力

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-21 DOI: 10.1016/j.jpcs.2024.112352

Samuel O. Ajayi , Cyril O. Ehi-Eromosele , Xinying Liu , Mkhulu K. Mathe

{"title":"Improving cycling performance and high rate capability of LiNi0.5Mn0.3Co0.2O2 cathode materials by sol-gel combustion synthesis","authors":"Samuel O. Ajayi , Cyril O. Ehi-Eromosele , Xinying Liu , Mkhulu K. Mathe","doi":"10.1016/j.jpcs.2024.112352","DOIUrl":"10.1016/j.jpcs.2024.112352","url":null,"abstract":"<div><div>The layered LiNi0.5Mn0.2Co0.2O2 (NMC532) material displays capacity loss and poor rate performance even though it is a widely used cathode in commercial Li-ion batteries (LIBs). In this work, the structural and electrochemical performance of the NMC532 cathode were optimized using the fuel-to-oxidizer ratio assisted sol-gel combustion synthesis (SCS). It was shown that the fuel-to-oxidizer ratio markedly influenced the exothermicity of the combustion reaction which affected the crystal structure, morphology, and electrochemical performance of the final NCM532 materials. The fuel lean (FL) composition produced NMC532 cathode materials with the biggest crystallite and particle sizes, less cation mixing degree and better layered structure compared with the fuel stoichiometric (FS) and fuel rich (FR) compositions. The FL cell presented an initial discharge capacity of 180 mAh g−1 and the highest capacity retention of 92.2 % when it was cycled at 0.1 C between 2.5 and 4.4 V. Also, the FL cell displayed exceptional rate capability with the average capacities reaching 180, 178, 175, and 173 mAh/g at current densities of 1 C, 3 C, 5 C, and 10 C, respectively between 3.0 and 4.6 V. The EIS tests and dQ/dV plots showed that the FL cell both had the least impedance and polarization. The superior electrochemical performance of the FL material was ascribed to its optimized structural properties. Furthermore, the electrochemical results also show the influence of voltage window and current density on the performance of the NMC532 cathode materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112352"},"PeriodicalIF":4.3,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142316115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structural and optical investigation of Nb5+-doped Sn3O4 for photoelectrochemical hydrogen production 用于光电化学制氢的掺杂 Nb5+ 的 Sn3O4 的结构和光学研究

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-18 DOI: 10.1016/j.jpcs.2024.112334

Fernanda da Costa Romeiro, João Angelo Lima Perini, Maria Valnice Boldrin Zanoni, Marcelo Ornaghi Orlandi

{"title":"Structural and optical investigation of Nb5+-doped Sn3O4 for photoelectrochemical hydrogen production","authors":"Fernanda da Costa Romeiro, João Angelo Lima Perini, Maria Valnice Boldrin Zanoni, Marcelo Ornaghi Orlandi","doi":"10.1016/j.jpcs.2024.112334","DOIUrl":"10.1016/j.jpcs.2024.112334","url":null,"abstract":"<div><div>We report herein, the microwave-assisted hydrothermal (MAH) synthesis of Nb5+-doped Sn3O4 nanoparticles for the photoelectrochemical production of hydrogen (H2). Nb5+ ions inside the Sn3O4 created structural defects, contributing to a local structural disorder, as confirmed by micro-Raman spectra. Photoluminescence spectroscopy indicated the decrease of the violet-blue–green visible emission after adding Nb5+, revealing the formation of alternative energy pathways for the electron/hole recombination. Through the morphological analysis, it was observed that the Nb5+ dopant slightly changed the morphology of nano-petals in Sn3O4. We demonstrate that the 3 % Nb5+ doped-Sn3O4 photoanode presented higher charge carrier mobility, higher photocurrent density, and an impressive H2 production of 1.50 mmol L−1 in a 3 h experiment, compared to the pure Sn3O4 material. The best performance of the Nb5+ doped Sn3O4 nanomaterial could be ascribed to the formation of new energy levels in the Sn3O4 band gap, thereby inhibiting the electron-hole pair recombination and positively affecting the photoelectrochemical response of the doped material.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112334"},"PeriodicalIF":4.3,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142322355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantum nuclear motion in silicene: Assessing structural and vibrational properties through path-integral simulations 硅烯中的量子核运动：通过路径积分模拟评估结构和振动特性

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-18 DOI: 10.1016/j.jpcs.2024.112343

Carlos P. Herrero, Miguel del Canizo

{"title":"Quantum nuclear motion in silicene: Assessing structural and vibrational properties through path-integral simulations","authors":"Carlos P. Herrero, Miguel del Canizo","doi":"10.1016/j.jpcs.2024.112343","DOIUrl":"10.1016/j.jpcs.2024.112343","url":null,"abstract":"<div>This paper explores the interplay between quantum nuclear motion and anharmonicity, which causes nontrivial effects on the structural and dynamical characteristics of silicene, a two-dimensional (2D) allotrope of silicon with interesting electronic and mechanical properties. Employing path-integral molecular dynamics (PIMD) simulations, we investigate the quantum delocalization of nuclei, unraveling its impact on the behavior of silicene at the atomic scale. Our study reveals that this delocalization induces significant deviations in the structural parameters of silicene, influencing in-plane surface area, bond lengths, angles, compressibility, and overall lattice dynamics. Through extensive simulations, we delve into the temperature-dependent behavior between 25 and 1200 K, unveiling the role of quantum nuclear fluctuations in dictating thermal expansion and phonon spectra. The extent of nuclear quantum effects is assessed by comparing results of PIMD simulations using an efficient tight-binding Hamiltonian, with those obtained from classical molecular dynamics simulations. The observed quantum effects showcase non-negligible deviations from classical predictions, emphasizing the need for accurate quantum treatments in understanding the material’s behavior at finite temperatures. At low <math><mi>T</mi></math>, the 2D compression modulus of silicene decreases by a 14% due to quantum nuclear motion. We compare the magnitude of quantum effects in this material with those in other related 2D crystalline solids, such as graphene and SiC monolayers.</div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112343"},"PeriodicalIF":4.3,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0022369724004785/pdfft?md5=27849ba3b60998a1ea91df8356aa8e23&pid=1-s2.0-S0022369724004785-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142274233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tunability in electronic and optical properties of GaS/PbS vdW heterostructure GaS/PbS vdW 异质结构的电子和光学特性的可调谐性

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-18 DOI: 10.1016/j.jpcs.2024.112348

Kuldeep Kumar , Munish Sharma , Ravindra Pandey

引用次数: 0

Catalytic conversion of acetone and n-butanol over metal incorporated hydrotalcite-derived oxides catalysts 在掺入金属的氢铝酸盐衍生氧化物催化剂上催化丙酮和正丁醇的转化

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2024-09-18 DOI: 10.1016/j.jpcs.2024.112349

Artit Ausavasukhi, Pancheewa Singthaisong

引用次数: 0