Journal of Physics and Chemistry of Solids最新文献

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Enhancing the photocatalytic performance of spin coated SrTiO3 and 0.6Ba(Zr0·2Ti0.8)O3-0.4(Ba0·7 Ca0.3)TiO3 heterostructure films via charge coupling effect 利用电荷耦合效应增强自旋包覆SrTiO3和0.6Ba(Zr0·2Ti0.8)O3-0.4(Ba0·7ca0.3)TiO3异质结构薄膜的光催化性能
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-04 DOI: 10.1016/j.jpcs.2025.112750
M. Bhakyalatha , M. Tasneem , R. Soundarya , K.C. Sekhar , Koppole Kamakshi
{"title":"Enhancing the photocatalytic performance of spin coated SrTiO3 and 0.6Ba(Zr0·2Ti0.8)O3-0.4(Ba0·7 Ca0.3)TiO3 heterostructure films via charge coupling effect","authors":"M. Bhakyalatha ,&nbsp;M. Tasneem ,&nbsp;R. Soundarya ,&nbsp;K.C. Sekhar ,&nbsp;Koppole Kamakshi","doi":"10.1016/j.jpcs.2025.112750","DOIUrl":"10.1016/j.jpcs.2025.112750","url":null,"abstract":"<div><div>In this work, the microstructure, optical, electrical and photocatalytic performance of SrTiO<sub>3</sub>(STO) film and 0.6Ba(Zr<sub>0·2</sub>Ti<sub>0.8</sub>)O<sub>3</sub>-0.4(Ba<sub>0·7</sub>Ca<sub>0.3</sub>)TiO<sub>3</sub>(BCZT)-STO heterostructure are investigated in detail. XRD analysis confirms the cubic phase of STO and morphotropic phase (coexistence of both tetragonal and rhombohedral phases) of BCZT. The presence of resistive switching effect and current minima at non-zero bias confirms charge coupling effect in BCZT-STO heterostructure. The ratio of photocurrent to dark is found to be 3 times higher in heterostructure compared to STO film due to the charge coupling effect. The photocatalytic performance of STO and BCZT-STO are investigated with Rhodamine-B as a model dye. The STO photocatalyst showed an efficiency of 39 % after an irradiation time of 2 h due to its paraelectric nature. However, its efficiency is boosted to 77 % when it is integrated with ferroelectric BCZT layer due to high rate of reaction. The mechanism of photocatalytic activity is proposed based on the band alignment of heterostructure and charge coupling effect. The radical trapping experiments suggest that O<sub>2</sub><sup>−</sup> significantly contributed to photocatalytic activity. Further, the heterostructure also showed good recyclability up to 5 cycles. The BCZT-STO heterostructures are also efficient for photodegradation of other coloured dyes like Rose Bengal dye with 75 % efficiency after 60 min of light irradiation and 100 % for ampicillin antibiotics after 20 min light irradiation. Thus, this work showed that an efficient and recyclable photocatalyst can be obtained through charge coupling effect in ferroelectric-wide gap semiconductor heterostructure.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112750"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785330","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
Application of indium-based compounds derived from metal-organic frameworks for sulfur cathode 金属有机骨架衍生的铟基化合物在硫阴极上的应用
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-04 DOI: 10.1016/j.jpcs.2025.112754
Jin Guo , Yiyi Wang , Xiaohua Zhang , Shihao Zhao , Ruihua Niu , Bao Sun , Zhanlong Li
{"title":"Application of indium-based compounds derived from metal-organic frameworks for sulfur cathode","authors":"Jin Guo ,&nbsp;Yiyi Wang ,&nbsp;Xiaohua Zhang ,&nbsp;Shihao Zhao ,&nbsp;Ruihua Niu ,&nbsp;Bao Sun ,&nbsp;Zhanlong Li","doi":"10.1016/j.jpcs.2025.112754","DOIUrl":"10.1016/j.jpcs.2025.112754","url":null,"abstract":"<div><div>Lithium-sulfur (Li–S) batteries hold significant potential in the field of new energy storage owing to their ultrahigh theoretical energy density (∼2600 Wh kg<sup>−1</sup>). The rational design of sulfur host is critical for enhancing their electrochemical performance. In this paper, a novel heterojunction material, denoted as In<sub>2</sub>Se<sub>3</sub>@In–C/CNTs, is synthesized through a two-step process involving carbonization and selenization of indium-based metal-organic frameworks (In-MOFs). The In<sub>2</sub>Se<sub>3</sub> component, featuring 3D nanoflower structures, is uniformly grown on the In–C/CNTs with hexagonal tubular, providing a large specific surface area and abundant active sites for sulfur loading. Furthermore, the nanoflower-structured In<sub>2</sub>Se<sub>3</sub> composed of thin nanosheets exhibits complementary structural integration with the 3D conductive network CNTs, which effectively restricts the dissolution and diffusion of polysulfides and facilitates rapid ion transport. In addition, the discharge specific capacity at 2 C can be maintained at 449.7 mAh g<sup>−1</sup> after 600 cycles, achieving a capacity decay rate of 0.061 % per cycle. After 100 cycles, the discharge specific capacity can still be maintained at 667.1 mAh g<sup>−1</sup> with the sulfur loading of 3.1 mg cm<sup>−2</sup>. It can further promote the polysulfides chemisorption and prolong the cycle life of Li–S batteries. It certainly has practical significance to promote the development of Li–S batteries.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112754"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785331","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
Improving electrochemical performance of Co-MOF via Cr-doping: Characterization and electrochemical interpretation for supercapacitor applications 通过cr掺杂提高Co-MOF的电化学性能:表征和超级电容器应用的电化学解释
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-04 DOI: 10.1016/j.jpcs.2025.112747
Hafiz Mansoor ul Haque , Asma Hassan , Saira zia , Shuai Wu , Zhichao Li , Li Guo , Yanzhong Wang
{"title":"Improving electrochemical performance of Co-MOF via Cr-doping: Characterization and electrochemical interpretation for supercapacitor applications","authors":"Hafiz Mansoor ul Haque ,&nbsp;Asma Hassan ,&nbsp;Saira zia ,&nbsp;Shuai Wu ,&nbsp;Zhichao Li ,&nbsp;Li Guo ,&nbsp;Yanzhong Wang","doi":"10.1016/j.jpcs.2025.112747","DOIUrl":"10.1016/j.jpcs.2025.112747","url":null,"abstract":"<div><div>Amid the prevailing energy shortage, it is imperative to develop an efficient and environmentally friendly electrode material through simple and cost-effective methods. This investigation emphasizes the significance of the simple solvothermal technique and an ideal elemental ratio in the development of metal-organic frameworks (MOF), which greatly improves the electrochemical performance. MOF received significant interest in the energy storage sector, due to their promising characteristics such as remarkable surface area and porous properties. In this work, a series of Cr-doped Co-MOF were synthesized using an efficient one-step solvothermal method. The experimental results (XRD, FTIR, and XPS) validated that Cr-doping strongly impacts the electronic structure of pristine Co-MOF/NF, markedly improving the electrochemical performance. The Cr1Co-MOF/NF electrode demonstrates ultra-high specific capacitance of 2390 F g<sup>−1</sup>, and the ASC device (Cr1Co-MOF/NF//AC) achieves an impressive energy density of 43 Wh kg<sup>−1</sup> and a power density of 795 W kg<sup>−1</sup> at 1 A g<sup>−1</sup>, with an 88 % capacitance retention after 10,000 charge-discharge cycles.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112747"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808685","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
Physically extracted and concentrated niobium oxide minerals from Abu-Dob mineralization (Eastern Desert of Egypt) as sustainable electrode's material for supercapacitor applications 从 Abu-Dob 矿化(埃及东部沙漠)中物理提取和浓缩的氧化铌矿物作为超级电容器应用的可持续电极材料
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-04 DOI: 10.1016/j.jpcs.2025.112751
Rawan A. Elshwehy , Mohamed M. Hamdy , Mona M. Fawzy , Saad G. Mohamed , Sally M. Youssry
{"title":"Physically extracted and concentrated niobium oxide minerals from Abu-Dob mineralization (Eastern Desert of Egypt) as sustainable electrode's material for supercapacitor applications","authors":"Rawan A. Elshwehy ,&nbsp;Mohamed M. Hamdy ,&nbsp;Mona M. Fawzy ,&nbsp;Saad G. Mohamed ,&nbsp;Sally M. Youssry","doi":"10.1016/j.jpcs.2025.112751","DOIUrl":"10.1016/j.jpcs.2025.112751","url":null,"abstract":"<div><div>Recently, due to the global energy crisis and the anti-carbon movement, research on synthetic rare earth metal oxide-based supercapacitors has gained attraction. Niobium oxide minerals concentrate from the Abu-Dob mineralized pegmatite (Eastern Desert of Egypt), with an average niobium penta-oxide (Nb<sub>2</sub>O<sub>5</sub>) content of 4.9 % mass, was evaluated as a supercapacitor electrode. The purified Nb oxide minerals by gravity concentration, magnetic separation, and lastly froth flotation are primarily fergusonite-Y, with less common nioboixiolite-([]), aeschynite-Y and ferrocolumbite, as evident by XRD, FTIR and EDX analysis. An excellent performance of the niobium oxide as electrode material, possessing a quick rate of ion transfer and diffusion between the electrolyte and the electrode surface, long-term cyclic stability. This is evident by a high specific capacitance of 205 F/g at current density 1 A/g, with low R<sub>s</sub> and R<sub>ct</sub>, high capacity retention rates (182 % after 3000 cycles at 3 A g<sup>−1</sup>). The abundant Nb minerals at Abu-Dob, low-cost beneficiation methods and efficient electrochemical characteristics call for further research into similar mineralization in Egypt as a potential geological raw material for supercapacitor applications. This adds value to Egyptian natural geological resources, particularly in the renewable energy industry, while also achieving global sustainable development goals.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"205 ","pages":"Article 112751"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855411","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
0D/2D hybrid Ni - Fe bi-metal oxides quantum dots/graphitic carbon nitride nanosheets for photo-Fenton system degradation of tetracycline hydrochloride 0D/2D杂化Ni -Fe双金属氧化物量子点/石墨氮化碳纳米片用于光- fenton系统降解盐酸四环素
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-04 DOI: 10.1016/j.jpcs.2025.112753
Chuanlin Dai , Yubo Zhang , Zhe Zhang , Jinsheng Li , Xuefei Lei , Xuanwen liu , Rui Guo
{"title":"0D/2D hybrid Ni - Fe bi-metal oxides quantum dots/graphitic carbon nitride nanosheets for photo-Fenton system degradation of tetracycline hydrochloride","authors":"Chuanlin Dai ,&nbsp;Yubo Zhang ,&nbsp;Zhe Zhang ,&nbsp;Jinsheng Li ,&nbsp;Xuefei Lei ,&nbsp;Xuanwen liu ,&nbsp;Rui Guo","doi":"10.1016/j.jpcs.2025.112753","DOIUrl":"10.1016/j.jpcs.2025.112753","url":null,"abstract":"<div><div>Hybrid materials composed of 0D/2D multi-metal active sites have garnered significant attention as photocatalysts for photogenerated Fenton reactions due to their abundant surface active sites and high charge mobility. However, such 0D/2D hybrid materials often suffer from phenomena such as the agglomeration of metal active sites. In this study, a novel dual metal oxide quantum dot/carbon nitride nanosheets (NiFeO (3:7) QDs/CNNSs) hybrid was successfully synthesized through a simple one<sup>-</sup>step calcination method. In a photocatalytic Fenton system, the NiFeO (3:7) QDs/CNNSs composite exhibited a degradation efficiency of 93.59% for tetracycline hydrochloride (TC) within 90 minutes. The rapid electron transfer pathways formed between NiFeO quantum dots and CNNSs effectively enhanced charge transfer and charge separation capabilities. Furthermore, the presence of NiFeO QDs facilitated the generation of ·O<sub>2</sub><sup>-</sup> at the interface of CNNSs, significantly improving its photocatalytic degradation performance. Therefore, the NiFeO quantum dots combined with graphite<sup>-</sup>like carbon nitride nanosheets show great potential as an efficient and stable photocatalyst for the degradation of organic pollutants in practical applications. This property suggests significant applicability of this composite material in the field of environmental protection, providing new solutions for enhancing wastewater treatment efficiency and reducing environmental pollution.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112753"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792271","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
Natural graphite coated with Li2SiO3–Li2CO3-CNTs composite by solvothermal synthesis for high-performance sulfide-based all-solid-state lithium batteries 溶剂热合成天然石墨包覆Li2SiO3-Li2CO3-CNTs复合材料用于高性能硫化物基全固态锂电池
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-03 DOI: 10.1016/j.jpcs.2025.112749
Hirosuke Sonomura , Tomoatsu Ozaki , Yasunori Hasegawa , Yoshiaki Sakurai
{"title":"Natural graphite coated with Li2SiO3–Li2CO3-CNTs composite by solvothermal synthesis for high-performance sulfide-based all-solid-state lithium batteries","authors":"Hirosuke Sonomura ,&nbsp;Tomoatsu Ozaki ,&nbsp;Yasunori Hasegawa ,&nbsp;Yoshiaki Sakurai","doi":"10.1016/j.jpcs.2025.112749","DOIUrl":"10.1016/j.jpcs.2025.112749","url":null,"abstract":"<div><div>Natural graphite is used as the anode material for sulfide-based all-solid-state lithium batteries, but the sulfide solid electrolyte causes problems with the natural graphite, the performance of which needs to be improved. Natural graphite coated with a Li<sub>2</sub>SiO<sub>3</sub> and Li<sub>2</sub>CO<sub>3</sub> composite was prepared by solvothermal synthesis at 650 °C for sulfide-based all-solid-state lithium batteries. The coating was intended to prevent decomposition of the solid electrolyte at low potential, cracking of the graphite or solid electrolyte, and separation of the bond between the graphite and solid electrolyte as a result of volume expansion and shrinkage during insertion and desorption of lithium ions into the graphite. Coating natural graphite with the Li<sub>2</sub>SiO<sub>3</sub> and Li<sub>2</sub>CO<sub>3</sub> composite improved the capacity retention rate after the 100th charging, and the addition of carbon nanotubes to the composite improved the rate characteristics. This study demonstrates that high-performance natural graphite can be developed as an anode material for sulfide-based all-solid-state lithium batteries.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112749"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785441","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
Unveiling potential lithium ionic conductors through machine learning and atomic simulation approaches 通过机器学习和原子模拟方法揭示潜在的锂离子导体
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-03 DOI: 10.1016/j.jpcs.2025.112752
Muhamad Kurniawan, Muhammad Hilmy Alfaruqi, Ahmad Nurul Fahri, Seunggyeong Lee, Jaekook Kim
{"title":"Unveiling potential lithium ionic conductors through machine learning and atomic simulation approaches","authors":"Muhamad Kurniawan,&nbsp;Muhammad Hilmy Alfaruqi,&nbsp;Ahmad Nurul Fahri,&nbsp;Seunggyeong Lee,&nbsp;Jaekook Kim","doi":"10.1016/j.jpcs.2025.112752","DOIUrl":"10.1016/j.jpcs.2025.112752","url":null,"abstract":"<div><div>This study delves into the critical realm of solid-state electrolytes (SSE) to address the safety concerns associated with conventional liquid electrolytes in lithium-ion batteries. Specifically, machine learning (ML) method was used to expedite the discovery of novel SSE materials. A comparative analysis involving random forest, support vector regression, XGBoost, and compositionally-restricted attention-based network models showcases the efficacy of the XGBoost model. This study extends its impact by integrating Ceder's statistical model of ionic substitution, resulting in the creation of 18,155 compounds. A meticulous screening process, guided by criteria such as high ionic conductivity, cost-effectiveness, and low toxicity, culminated in the identification of 287 potential lithium-ion conductors. In addition, we also employed density functional theory calculation for the selected candidate. This comprehensive approach exemplifies the synergy of ML and computational methodologies in accelerating the discovery and screening of materials for SSE applications, thereby contributing valuable insights to the ongoing advancements in energy storage technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112752"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792273","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
Adsorption mechanism of Phosgene gas onto the pristine hBN and Cu-decorated hBN: A DFT study 光气气体在原始hBN和cu修饰hBN上的吸附机理:DFT研究
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-02 DOI: 10.1016/j.jpcs.2025.112716
Anurag Bhandari , Piyush Dua , Mukhtiyar Singh , Kamal Upreti , Shubham Mahajan , S.S. Askar , Mohamed Abouhawwash , Nitin K. Puri
{"title":"Adsorption mechanism of Phosgene gas onto the pristine hBN and Cu-decorated hBN: A DFT study","authors":"Anurag Bhandari ,&nbsp;Piyush Dua ,&nbsp;Mukhtiyar Singh ,&nbsp;Kamal Upreti ,&nbsp;Shubham Mahajan ,&nbsp;S.S. Askar ,&nbsp;Mohamed Abouhawwash ,&nbsp;Nitin K. Puri","doi":"10.1016/j.jpcs.2025.112716","DOIUrl":"10.1016/j.jpcs.2025.112716","url":null,"abstract":"<div><div>The adsorption behavior of pristine hBN monolayer and Cu-decorated hBN monolayer towards the detection of toxic gas such as COCl<sub>2</sub> were explored using the first principle calculations based on Density Functional Theory (DFT). The calculated low adsorption energy for the A4 configurations indicates that the interaction of the COCl<sub>2</sub> gas with pristine hBN was weak, resulting in poor recovery time. Therefore, to enhance the adsorption affinity of hBN, the Cu atom was adsorbed onto the surface of hBN (Cu-hBN) and substitutionally doped (Cu-doped hBN). It was based on energy minimization, and B2 and C2 configurations were the most stable configurations among the different adsorption configurations. The adsorption study revealed that strong chemical interaction exists, and the adsorption of COCl<sub>2</sub> gas onto Cu-hBN and Cu-doped hBN was a chemisorption. Further, various calculations such as DOS, Hirshfeld atomic charge, charge density differences, ELF, and RDG were calculated for the most stable configurations. The resulting DOS plot revealed that the COCl<sub>2</sub> adsorption enhances the electrical conductivity due to the 72.25 % and 54.13 % reduction in the band gap. Hirshfeld and ELF analysis showed that substantial charge transfer occurs in the case of B2 and C2 compared to A4 configurations. ELF analysis revealed that the Cu atom loses electrons to the COCl<sub>2</sub>, confirming the behavior of adsorbates as electron donors and COCl<sub>2</sub> as electron acceptors. Furthermore, RDG analysis revealed vdW interaction in the case of A4, whereas strong, attractive interaction exists in the case of B2 and C2 adsorption configurations. Finally, the calculated recovery time for B2 and C2 adsorption configurations at elevated temperatures under visible light suggests that Cu-doped hBN and Cu-hBN systems can be utilized as a sensing material in gas sensors to detect COCl<sub>2</sub> gas at high temperatures.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112716"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800340","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
Optimization of buffer layers for CZTSSe solar cells through advanced numerical modelling 基于先进数值模拟的CZTSSe太阳能电池缓冲层优化
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-02 DOI: 10.1016/j.jpcs.2025.112744
Tanzir Ahamed , Fozlur Rayhan , Imteaz Rahaman , Md Hamidur Rahman , Md Mehedi Hasan Bappy , Tanvir Ahammed , Sampad Ghosh
{"title":"Optimization of buffer layers for CZTSSe solar cells through advanced numerical modelling","authors":"Tanzir Ahamed ,&nbsp;Fozlur Rayhan ,&nbsp;Imteaz Rahaman ,&nbsp;Md Hamidur Rahman ,&nbsp;Md Mehedi Hasan Bappy ,&nbsp;Tanvir Ahammed ,&nbsp;Sampad Ghosh","doi":"10.1016/j.jpcs.2025.112744","DOIUrl":"10.1016/j.jpcs.2025.112744","url":null,"abstract":"<div><div>Inorganic kesterite-based solar cells, especially those employing copper zinc tin sulfoselenide (CZTSSe), stand out for their eco-friendly, cost-effective nature, fuelling widespread interest in advanced, high-performance photovoltaics. In this study, we utilize numerical modelling (SCAPS-1D) to optimize CZTSSe devices incorporating four buffer materials (CdS, SnS<sub>2</sub>, IGZO, and ZnSe). We systematically investigate absorber defect density, buffer layer thickness, and doping profiles to enhance device performance. As a result, the i-ZnO/SnS<sub>2</sub>/CZTSSe/Au configuration achieves a power conversion efficiency of 28.38 %, with an open-circuit voltage of 0.83 V, a short-circuit current density of 39.93 mA/cm<sup>2</sup>, and a fill factor of 85.4 %. Subsequent stability analyses under varying temperatures, resistances, and recombination mechanisms confirm the robustness of this optimized structure. These findings underscore the effectiveness of tailored buffer-layer strategies for elevating both efficiency and stability in CZTSSe solar cells.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112744"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143828327","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
Loading 0D Zn0.5Cd0.5S nanoparticle onto 2D BiOBr flakes to boost photocatalytic activity under visible light 在二维BiOBr薄片上加载0D Zn0.5Cd0.5S纳米颗粒以提高可见光下的光催化活性
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-01 DOI: 10.1016/j.jpcs.2025.112743
Zao Jiang , Liang Zhang , Ziman Hao , Longjun Xu , Jian Sun , Qiu Yu , Yi Zheng , Chenglun Liu
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