Journal of Physics and Chemistry of Solids最新文献

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Electric property of solid hydrogen and magnetoresistivity of tin superhydride 固态氢的电特性和锡超氢的磁电阻率
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-12 DOI: 10.1016/j.jpcs.2024.112322
{"title":"Electric property of solid hydrogen and magnetoresistivity of tin superhydride","authors":"","doi":"10.1016/j.jpcs.2024.112322","DOIUrl":"10.1016/j.jpcs.2024.112322","url":null,"abstract":"<div><p>We derive the physical mechanisms that deny solid hydrogen to be a metal for any pressure. Fermi- nor strange-metallic phase cannot be achieved in solid hydrogen with applied pressure. The resistance and Raman data indicate insufficient carrier density and large-angle electron-ion scattering induced resistivity in molecular or atomic solid hydrogen. In the absence of Fermi-metallic or strange-metallic phase, solid hydrogen cannot superconduct for any temperature and pressure. Doping hydrogen to form superhydride can lead to low resistivity metallic phase. We show that the resistance and magnetoresistance data for Sn-H superhydride does indicate superconductivity (at high pressures) due to the observed strange normal-state metallic phase with large carrier density. We exploit the Ionization Energy Theory and the low temperature Fermi liquid transport theory to derive the magnetoresistance formula and the magnetic-field induced scattering rate mechanisms to justify the strange metallic phase that obeys Arulsamy fermions and superconductivity in Sn-H.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142240383","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
A first principles based exploration of Rb2XHgCl6 (X= Al, Y) halide double perovskites for their applications in futuristic efficient technologies 基于第一原理的 Rb2XHgCl6(X= Al、Y)卤化物双包晶石在未来高效技术中的应用探索
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-12 DOI: 10.1016/j.jpcs.2024.112332
{"title":"A first principles based exploration of Rb2XHgCl6 (X= Al, Y) halide double perovskites for their applications in futuristic efficient technologies","authors":"","doi":"10.1016/j.jpcs.2024.112332","DOIUrl":"10.1016/j.jpcs.2024.112332","url":null,"abstract":"<div><p>Herein, the first principles calculations are performed to explore the physical features of Rb<sub>2</sub>XHgCl<sub>6</sub> (X = Al, Y) to unravel their potential candidacy for optoelectronic and thermoelectric applications. The geometry optimization reveals that Rb<sub>2</sub>XHgCl<sub>6</sub> (X = Al, Y) are stable in cubic structure with ferromagnetic nature. Analysis of tolerance factor and formation energies uncovered the thermodynamically stability. Moreover, the semiconductor nature of considered compounds is confirmed by spin dependent electronic characteristics. Rb<sub>2</sub>XHgCl<sub>6</sub> (X = Al, Y) revealed maximum absorption of ultraviolet light which prove that corresponding materials are appropriate for optoelectronic devices. Using BoltzTraP package, the thermoelectric (TE) characteristics are computed within range of 100–800 K. Results suggest that the resultant material are appropriate candidates for spintronic, optoelectronic and TE applications and more stimulate experimentalist to discover these materials for their usage in practical extent.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142230041","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
Osmotic energy harvesting using acrylic acid hydrogel PET membrane 利用丙烯酸水凝胶 PET 膜进行渗透能量收集
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-12 DOI: 10.1016/j.jpcs.2024.112329
{"title":"Osmotic energy harvesting using acrylic acid hydrogel PET membrane","authors":"","doi":"10.1016/j.jpcs.2024.112329","DOIUrl":"10.1016/j.jpcs.2024.112329","url":null,"abstract":"<div><p>In this study, we investigated the osmotic energy harvesting using a cation-selective membrane. The cation-selective membrane was synthesized by the incorporation of acrylic acid hydrogel in a porous support membrane. FTIR analysis and SEM images confirmed the presence of the acrylic acid hydrogel rods inside the porous support material. The exposure of the acrylic acid hydrogel PET (AP) membrane to a concentration gradient culminated in the generation of electric power. The AP membrane was evaluated in regard to the following parameters: <em>E</em><sub>Diff</sub>, <em>I</em><sub>o</sub>, <em>P</em><sub>max</sub> and <em>t</em><sub>+</sub>. The maximum power obtained with the membrane was 1.10 μW at the 40-fold concentration gradient (test area∽ 100 mm<sup>2</sup>). Increasing the concentration gradient increased the power output. However, a decrease in power output was observed after a certain value of the concentration gradient. An enhancement in power output was noted as the fraction of acrylic acid within the membrane was augmented. Additionally, the cation transference number also increased owing to a high charge density and a reduction in the mesh size. The AP membrane was also investigated in acidic and basic media. The time-dependent study revealed the superior chemical stability of the AP membrane.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0022369724004645/pdfft?md5=57861e03ca62621a3ab2725ae90591dc&pid=1-s2.0-S0022369724004645-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142230040","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
Pseudocapacitive Na ion storage in binder-less, carbon additive-free Nb2O5-x electrode synthesised via solvothermal-assisted electro-coating with enhanced areal capacitance and lowered impedance parameters 通过溶热辅助电涂层技术合成的无粘结剂、无碳添加剂 Nb2O5-x 电极中的伪电容式 Na 离子存储,具有更高的等值电容和更低的阻抗参数
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-12 DOI: 10.1016/j.jpcs.2024.112336
{"title":"Pseudocapacitive Na ion storage in binder-less, carbon additive-free Nb2O5-x electrode synthesised via solvothermal-assisted electro-coating with enhanced areal capacitance and lowered impedance parameters","authors":"","doi":"10.1016/j.jpcs.2024.112336","DOIUrl":"10.1016/j.jpcs.2024.112336","url":null,"abstract":"<div><p>Negatrodes with wide negative operating voltage, high electrochemical storage capacity, and intrinsic metal ion intercalation abilities are vital to the continuous development of storage devices with simultaneous energy and power density improvement. Herein, we report binder-less coating of non-stoichiometric vacancy-implanted Nb<sub>2</sub>O<sub>5-x</sub> as carbon additive-free negatrode on FTO substrate for asymmetric supercapacitor and sodium ion capacitor applications. The negatrode was fabricated through vacuum-less and low-temperature solvothermal-assisted electro-coating technique and yielded several orders of enhancement in its areal capacitance and retained ca. 90 % of its capacity after 5000 cycles of charge-discharge in aqueous Na<sup>+</sup> electrolyte. The solvothermal treated electro-coated electrode (STT_Nb<sub>2</sub>O<sub>5-x</sub>) achieved an areal capacitance of 22.58 mF/cm<sup>2,</sup> which was far higher than those of hydrothermal-treated electro-coated HTT_Nb<sub>2</sub>O<sub>5</sub> and Nb<sub>2</sub>O<sub>5</sub> electrodes. The solvothermal treatment simultaneously enhanced the electro-coated samples' impedance properties and mass load through oxygen vacancy implantation and re-crystallization of the electro-coated Nb<sub>2</sub>O<sub>5</sub> layer, respectively. This study presented a facile and energy-efficient technique of direct coating of defect-enhanced pseudocapacitive nanomaterials for the fabrication of electrochemical storage devices.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142240547","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
Lattice constant, bandgap energy, absorption coefficient and dielectric function of the antimony-rich InBixSb1-x alloy using first-principles calculations 利用第一原理计算富锑 InBixSb1-x 合金的晶格常数、带隙能、吸收系数和介电函数
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-11 DOI: 10.1016/j.jpcs.2024.112307
{"title":"Lattice constant, bandgap energy, absorption coefficient and dielectric function of the antimony-rich InBixSb1-x alloy using first-principles calculations","authors":"","doi":"10.1016/j.jpcs.2024.112307","DOIUrl":"10.1016/j.jpcs.2024.112307","url":null,"abstract":"<div><p>So far, little is known about the electronic and optical properties of InBi<sub>x</sub>Sb<sub>1-x</sub>. In this work, the first-principles calculations are performed to research the lattice constant, the bandgap energy, the absorption coefficient and the dielectric function of the antimony-rich InBi<sub>x</sub>Sb<sub>1-x</sub>. The results show that the bowing coefficient for the lattice constant is merely −0.012 Å. According to the band structures, it is found that the Sb-rich InBi<sub>x</sub>Sb<sub>1-x</sub> possesses a direct bandgap at G point. Its bandgap reduction is due to the ascending of the valence band maximum (VBM) and the descending of the conduction band minimum (CBM). For the sake of providing a good description for the bandgap energy in the Sb-rich range, the modified valence band anticrossing (MVBAC) model plus a linear equation is utilized. The result shows that the predicted positive to negative bandgap transition occurs at x = 0.13. Besides, the valence band offset between InSb and InBi is identified to be 0.27eV. For the optical properties, it is found that the Bi component is effective in raising the static dielectric constant of InBi<sub>x</sub>Sb<sub>1-x</sub>. However, it has a minor effect on the transition ability of the electrons. In the Sb-rich component range, the critical point energies <span><math><mrow><msub><mi>E</mi><mn>0</mn></msub><mo>+</mo><msub><mo>Δ</mo><mn>0</mn></msub></mrow></math></span> <span><math><mrow><msub><mi>E</mi><mn>1</mn></msub></mrow></math></span>, <span><math><mrow><msub><mi>E</mi><mn>1</mn></msub><mo>+</mo><msub><mo>Δ</mo><mn>1</mn></msub></mrow></math></span> <span><math><mrow><msub><mi>E</mi><mn>2</mn></msub></mrow></math></span> and <span><math><mrow><msubsup><mi>E</mi><mn>1</mn><mo>′</mo></msubsup></mrow></math></span> are found to shift toward the low energy direction. The result of the absorption spectra supports this opinion as increasing Bi component leads to a redshift of the absorption spectra. The adjustable bandgap energy and the optical properties of InBi<sub>x</sub>Sb<sub>1-x</sub> demonstrate that it is a strong candidate for fabricating the photodetectors in the 8–12 μm spectral region.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142230044","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
Exploring the theoretical potential of tungsten oxide (WOx) as a universal electron transport layer (ETL) for various perovskite solar cells through interfacial energy band alignment modulation 通过界面能带排列调制探索氧化钨(WOx)作为各种过氧化物太阳能电池通用电子传输层(ETL)的理论潜力
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-11 DOI: 10.1016/j.jpcs.2024.112324
{"title":"Exploring the theoretical potential of tungsten oxide (WOx) as a universal electron transport layer (ETL) for various perovskite solar cells through interfacial energy band alignment modulation","authors":"","doi":"10.1016/j.jpcs.2024.112324","DOIUrl":"10.1016/j.jpcs.2024.112324","url":null,"abstract":"<div><p>Perovskite solar cells (PSCs) play a pivotal role in advancing renewable energy to achieve United Nation's Sustainable Development Goal 7 (SDG 7), which aims to ensure universal access to affordable, sustainable, reliable and modern energy services. Aiming to enhance the performance of PSCs by replacing the typically used electron transport layers (ETLs: TiO<sub>2</sub>, SnO<sub>2</sub>, ZnO etc.), we theoretically investigated the viability of tungsten oxide (WO<sub>X</sub>) as a promising ETL for PSCs. Moreover, the effect of altering the energy levels of WO<sub>X</sub> on cell performance has also been analyzed through simulation. Initially, 12 (twelve) PSC structures having the combination of different perovskite (PSK: CsPbBr<sub>3</sub>, CsPbI<sub>3</sub>, FAPbBr<sub>3</sub>, FAPbI<sub>3</sub>) absorber layers with different organic hole transport layers (HTLs: Spiro-OMeTAD, P3HT, PEDOT:PSS) and a fixed ETL of WO<sub>X</sub> were optimized numerically for comparing their performance. As CsPbBr<sub>3</sub>-based PSCs showed the best performance, further simulations were performed by varying some WO<sub>X</sub>/CsPbBr<sub>3</sub> interface properties such as interface defect density, conduction band offset (CBO) between WO<sub>X</sub> and CsPbBr<sub>3</sub>, energy bandgap (E<sub>g</sub>) of WO<sub>X</sub> etc. Finally, the best-performed PSCs were found for the E<sub>g</sub> = 3.5 eV of WO<sub>X</sub> and the CBO of - 0.5 eV confirming the conduction band minimum (CBM) of WO<sub>X</sub> is lower than that of CsPbBr<sub>3</sub> by 0.5 eV. A properly chosen WO<sub>X</sub> layer enhanced the efficiency of CsPbBr<sub>3</sub>-based PSCs up to 14.65 %, 14.52 % and 16.09 %, aproaching the Shockley-Queisser (S-Q) limit (16.37% for CsPbBr<sub>3</sub>-based solar cell) from the initial values of 11.39 %, 11.27 %, and 12.49 %, respectively. This study ensures WO<sub>X</sub> is a promising ETL for which a proper PSC structure having a suitable PSK and an HTL can improve cell performance. Moreover, the importance of modifying energy levels of ETL material in enhancing the performance of PSCs is explored. As a result, this study opens a path for the researchers to develop WO<sub>X</sub> having suitable CBM and E<sub>g</sub>, so that it can be well-suited with a properly matched PSK material resulting in enhanced cell performance.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142240382","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
Synthesis of porous Mg2MnO4 spinel microspheres and enhanced lithium storage properties 多孔 Mg2MnO4 尖晶石微球的合成及增强的锂存储特性
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-10 DOI: 10.1016/j.jpcs.2024.112328
{"title":"Synthesis of porous Mg2MnO4 spinel microspheres and enhanced lithium storage properties","authors":"","doi":"10.1016/j.jpcs.2024.112328","DOIUrl":"10.1016/j.jpcs.2024.112328","url":null,"abstract":"<div><p>Porous Mg<sub>2</sub>MnO<sub>4</sub> spinel microspheres were synthesized by a facile solvothermal method. Various techniques such as X-ray powder diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, were used to characterize the phase composition, morphology and electronic structure of materials. The results show that Mg<sub>2</sub>MnO<sub>4</sub> spinel material was obtained at the temperature of 600–800 °C and has a microsphere structure. The microspheres were assembled by nanoparticles, and the particle size increases with the increase of annealing temperature. Analyses of XPS spectra reveal that Mn exists in multiple valence states (+2, +3, +4) in Mg<sub>2</sub>MnO<sub>4</sub> materials, and all the materials are mixed spinel with Mg<sup>2+</sup> and Mn<sup>2+/3+/4+</sup> ions occupy both tetrahedral and octahedral sites of spinel structure, and the degree of inversion decreases with increasing annealing temperature. Mg<sub>2</sub>MnO<sub>4</sub> microspheres exhibit excellent lithium storage performance, the first discharge specific capacity of M2MO-8 is 835.3 mAh g<sup>−1</sup> under a voltage window of 0–3 V and with a current density of 100 mA g<sup>−1</sup>, and after 100 cycles the discharge capacity of the material is as high as 406.5 mAh g<sup>−1</sup>. In addition, this material shows high cyclic reversibility. The enhanced lithium storage properties of the material can be attributed to its porous structure, which promote the transport of lithium ions and reduce the damage to the structure caused by the volume change during the charge and discharge process.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142173291","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
Theoretical design and performance evaluation of a lead-free fully inorganic CIGS solar cell with CuSbS2 as HTL 以 CuSbS2 为 HTL 的无铅全无机 CIGS 太阳能电池的理论设计和性能评估
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-10 DOI: 10.1016/j.jpcs.2024.112331
{"title":"Theoretical design and performance evaluation of a lead-free fully inorganic CIGS solar cell with CuSbS2 as HTL","authors":"","doi":"10.1016/j.jpcs.2024.112331","DOIUrl":"10.1016/j.jpcs.2024.112331","url":null,"abstract":"<div><p>The widespread use of lead (Pb)-based materials in solar cells poses serious environmental and health risks, particularly through lead contamination. These hazards make the development of Pb-free alternatives a critical priority for safer and more sustainable photovoltaic technologies. This study addresses this pressing need by exploring innovative, non-toxic materials for high-efficiency solar cells. In response, this study introduces a novel, fully inorganic solar cell structure, FTO/ZnO/CIGS/CuSbS<sub>2</sub>/Au, which leverages copper indium gallium (di) selenide (CIGS) as the absorber layer and copper antimony sulfide (CuSbS<sub>2</sub>) as the hole transport layer (HTL). Our approach is distinguished by the strategic integration of zinc oxide (ZnO) as the electron transport layer (ETL), which, in conjunction with CuSbS<sub>2</sub>, enhances charge transport efficiency and overall device performance. This research innovates by conducting a comprehensive numerical analysis to fine-tune critical parameters such as absorber layer thickness, doping levels, defect densities, and radiative recombination rates. By optimizing these parameters, we significantly improve the photoconversion efficiency of the solar cell. Additionally, we systematically investigate the influence of interface defects, metal back contacts, and temperature variations on device performance, providing new insights into the stability and efficiency of inorganic solar cells. A key mechanism explored in this study is the role of series and shunt resistances in determining the electrical behavior of the solar cell, analyzed through capacitance-voltage (C–V) and capacitance-frequency (C–F) measurements. These analyses reveal the intricate balance between charge carrier dynamics and external resistive factors, further elucidating the operational mechanisms within the cell. Our fully inorganic FTO/ZnO/CIGS/CuSbS<sub>2</sub>/Au solar cell achieves a remarkable power conversion efficiency (PCE) of 32.25 % at room temperature, with a short-circuit current density (J<sub>SC</sub>) of 34.77 mA/cm<sup>2</sup>, an open-circuit voltage (V<sub>OC</sub>) of 1.10 V, and a fill factor (FF) of 84.33 %. By comparing these results with both experimental and theoretical benchmarks in the field of CIGS solar cells, we demonstrate the competitive edge and profound significance of our lead-free design.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0022369724004669/pdfft?md5=70af901b6a093d7cbedd05735cec77b4&pid=1-s2.0-S0022369724004669-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163654","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
Boosting the performance of SnSe-based solar cells through electron and hole transport layers: A qualitative study and perspectives 通过电子和空穴传输层提高硒化锡基太阳能电池的性能:定性研究与展望
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-10 DOI: 10.1016/j.jpcs.2024.112333
{"title":"Boosting the performance of SnSe-based solar cells through electron and hole transport layers: A qualitative study and perspectives","authors":"","doi":"10.1016/j.jpcs.2024.112333","DOIUrl":"10.1016/j.jpcs.2024.112333","url":null,"abstract":"<div><p>The SnSe compound is garnering considerable interest as a potential solar absorber for developing highly efficient thin-film solar cells. Using one experimental report as a foundation and employing the one-dimensional solar cell capacitance simulator (SCAPS-1D), we examined the elements that impact the efficiency of solar cells utilizing tin selenide as the base material. The base structure consists of Anode/SnSe/CdS/i-ZnO/ZnO:Al/Cathode. A 0.5 μm thick SnSe film demonstrated an efficiency of 2.51 %. In the initial phase, we optimized the device efficiency to 18.65 % through parameter adjustments, utilizing toxic CdS as a buffer layer. In the subsequent phase, earth-abundant and non-toxic Zn<sub>1-<em>x</em></sub>Mg<sub><em>x</em></sub>O, SnO<sub>2</sub>, and TiO<sub>2</sub> alternatives were explored as electron transport materials (ETL) to replace CdS. Zn<sub>1-<em>x</em></sub>Mg<sub><em>x</em></sub>O (with <em>x</em> = 0.1875) exhibited the highest efficiency at 19.03 %. In the final phase, various hole transport materials (HTL) were studied to enhance the SnSe-based solar cell's performance. Among the HTL materials investigated, NiO yielded the best efficiency of 20.59 % when using Zn<sub>1-<em>x</em></sub>Mg<sub><em>x</em></sub>O (with <em>x</em> = 0.1875) as a buffer layer.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163656","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
Novel crystalline Bi/amorphous Bi2O3 hybrid nanoparticles embedded in N-doped carbon for high-performance lithium-ion battery anodes 嵌入掺杂 N 的碳中的新型晶体 Bi/ 非晶态 Bi2O3 混合纳米粒子用于高性能锂离子电池阳极
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2024-09-10 DOI: 10.1016/j.jpcs.2024.112330
{"title":"Novel crystalline Bi/amorphous Bi2O3 hybrid nanoparticles embedded in N-doped carbon for high-performance lithium-ion battery anodes","authors":"","doi":"10.1016/j.jpcs.2024.112330","DOIUrl":"10.1016/j.jpcs.2024.112330","url":null,"abstract":"<div><p>In this work, novel crystalline Bi/amorphous Bi<sub>2</sub>O<sub>3</sub> hybrid nanoparticles (Bi/a-Bi<sub>2</sub>O<sub>3</sub>) are embedded into an N-doped carbon (Bi/a-Bi<sub>2</sub>O<sub>3</sub>@C) by a simple ball-milling and subsequent carbonization process to stabilize the structure and enhance the conductivity of the Bi/a-Bi<sub>2</sub>O<sub>3</sub> anode during lithium storage. The results confirm that in Bi/a-Bi<sub>2</sub>O<sub>3</sub>@C the relatively dispersed quasi-spherical Bi/a-Bi<sub>2</sub>O<sub>3</sub> hybrid nanoparticles are tightly embedded within the N-doped carbon with a wrinkled surface; meanwhile, the Bi–C and Bi–<em>O</em>–C bonds are formed between Bi/a-Bi<sub>2</sub>O<sub>3</sub> and carbon, further reinforcing the combination between Bi/a-Bi<sub>2</sub>O<sub>3</sub> and carbon and enhancing the conductivity of Bi/a-Bi<sub>2</sub>O<sub>3</sub>@C. Moreover, the amorphous a-Bi<sub>2</sub>O<sub>3</sub> with an open architecture can offer more isotropic ion transfer ways to facilitate the transport of Li<sup>+</sup>. These distinctive structural features endow Bi/a-Bi<sub>2</sub>O<sub>3</sub>@C with fast electrochemical reaction kinetics, high capacitance ratio, superior structural stability and a LiF-rich SEI layer during cycle. As a result, the Bi/a-Bi<sub>2</sub>O<sub>3</sub>@C reveals outstanding electrochemical performance including high capacity, good rate performance and long lifespan, with 406.7 and 154.2 mAh g<sup>−1</sup> after 460 and 1000 cycles at 200 and 2000 mA g<sup>−1</sup> (about 13 C), respectively. This work provides a new insight into the improvement of lithium storage performances of the Bi-based anodes.</p></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0022369724004657/pdfft?md5=301383bf9f857c51d453f3e69d3f4dea&pid=1-s2.0-S0022369724004657-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163653","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}
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