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Computational Screening of Highly Stable Semiconducting MXenes with Ultrahigh Carrier Mobilities for Optoelectronic Applications 光电子应用中具有超高载流子迁移率的高稳定半导体MXenes的计算筛选
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-07-04 DOI: 10.1002/pssr.202300152
X. Yang, D. Cao, Jie Yan, Jianfeng Wang, Zhou-ting Jiang, Z. Jiao, H. Shu
{"title":"Computational Screening of Highly Stable Semiconducting MXenes with Ultrahigh Carrier Mobilities for Optoelectronic Applications","authors":"X. Yang, D. Cao, Jie Yan, Jianfeng Wang, Zhou-ting Jiang, Z. Jiao, H. Shu","doi":"10.1002/pssr.202300152","DOIUrl":"https://doi.org/10.1002/pssr.202300152","url":null,"abstract":"Two‐dimensional (2D) transition metal carbides and nitrides known as MXenes are a new family of 2D materials. Most of the previous studies mainly focus on the metallic MXenes, there are few studies on semiconducting MXenes. Based on first‐principles calculations within density functional theory, 480 ground‐state structures including 444 metals and 36 semiconductors have been screened from 2256 MXenes using the energy and electronic parameters as the descriptors. The bandgap, carrier mobility, and optical absorption of the semiconducting MXenes show a strong dependence on the surface functional groups. By tuning the surface functional groups, the bandgaps can be changed from 0.2 to 3 eV. Moreover, the semiconducting MXenes exhibit high carrier mobilities up to 104 cm2 v−1s−1 and high optical absorption coefficients (>105 cm−1). This work demonstrates that Sc‐based and Y‐based MXenes present high stability, moderate bandgaps, ultrahigh carrier mobility, and high optical absorption, which make them large potential for electronics, optoelectronics, and photocatalysts.","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"48 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75811845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
2D BiSeI Nanosheets for Broadband Self‐Powered Photoelectrochemical Photodetector 用于宽带自供电光电电化学光电探测器的二维BiSeI纳米片
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-07-04 DOI: 10.1002/pssr.202300183
Lei-Han Xu, Mengtong Yang, Qidong Lu, Yuxin Ren, Yi Chen, Jinjia Guo, Mingjie Cai, Xiao Miao, F. Teng, Haibo Fan, Chunmei Zhang, Xuexia He, Peng Hu
{"title":"2D BiSeI Nanosheets for Broadband Self‐Powered Photoelectrochemical Photodetector","authors":"Lei-Han Xu, Mengtong Yang, Qidong Lu, Yuxin Ren, Yi Chen, Jinjia Guo, Mingjie Cai, Xiao Miao, F. Teng, Haibo Fan, Chunmei Zhang, Xuexia He, Peng Hu","doi":"10.1002/pssr.202300183","DOIUrl":"https://doi.org/10.1002/pssr.202300183","url":null,"abstract":"","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"47 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75811468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High‐Performance Electrode Materials for Electrochemical Energy Storage Devices Based on Microrod‐Like Structures of Calcium Phosphate (Ca2P2O7) 基于微棒状磷酸钙(Ca2P2O7)结构的电化学储能装置高性能电极材料
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-07-04 DOI: 10.1002/pssr.202300178
A. Asghar, Zhangwei Chen, Enaam A. Al-Harthi, J. Hakami, Muhammad Shahid Rashid, Hafeez Sultana, S. Hussain, Y. Javed, N. A. Shad, Mohd Imran
{"title":"High‐Performance Electrode Materials for Electrochemical Energy Storage Devices Based on Microrod‐Like Structures of Calcium Phosphate (Ca2P2O7)","authors":"A. Asghar, Zhangwei Chen, Enaam A. Al-Harthi, J. Hakami, Muhammad Shahid Rashid, Hafeez Sultana, S. Hussain, Y. Javed, N. A. Shad, Mohd Imran","doi":"10.1002/pssr.202300178","DOIUrl":"https://doi.org/10.1002/pssr.202300178","url":null,"abstract":"Herein, the hydrothermal method is used to synthesize microrod‐like morphology of calcium phosphate (Ca2P2O7). The prepared electrode manifests a high specific capacitance of 1174.5 Fg−1 and a specific capacity of 807.5 Cg−1 at a scan rate of 5 mV s−1. Finally, the potential supercapacitor electrode material shows a maximum power density of 1855.7 W kg−1 and an energy density of 55.23 Wh kg−1 at the current densities of 5 and 0.5 Ag−1, respectively with the three‐electrode system. While, the two‐electrode system exhibits a maximum power density of 1330.9 W kg−1 and an energy density of 11.7 Wh kg−1 at the current densities of 5 and 1 Ag−1, respectively. The electrode exhibits higher lifetime capacitance retention of 88.74% after 5000 cycles. The b value lies within the range of 0.68–1, which is suitable for both batteries and supercapacitors for transport application.","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"35 4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83591863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solution‐Processed PEDOT:PSS/p‐Si/ZnO Heterojunction Solar Cells 溶液处理的PEDOT:PSS/p‐Si/ZnO异质结太阳能电池
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-07-04 DOI: 10.1002/pssr.202300168
Wenzheng Jiang, Yu Wang, Chaohui Jiao, Yang Wang, Yonggang Zhao, Mingzhi Lv, Zining Fan, Yujun Fu, Junshuai Li, Qiming Liu, D. He
{"title":"Solution‐Processed PEDOT:PSS/p‐Si/ZnO Heterojunction Solar Cells","authors":"Wenzheng Jiang, Yu Wang, Chaohui Jiao, Yang Wang, Yonggang Zhao, Mingzhi Lv, Zining Fan, Yujun Fu, Junshuai Li, Qiming Liu, D. He","doi":"10.1002/pssr.202300168","DOIUrl":"https://doi.org/10.1002/pssr.202300168","url":null,"abstract":"With the introduction of the concept of dopant‐free carrier‐selective contact for c‐Si photovoltaics, Si‐based heterojunction solar cells can greatly reduce production costs by optimizing the manufacturing process while maintaining high power conversion efficiency. Compared with processes that rely on complex vacuum equipment, low‐temperature solution processing has many advantages over conventional silicon solar cells. However, research on low‐cost and high‐efficiency solar cells based on p‐type crystalline silicon is relatively rare. From the point of view regards energy band matching, the inorganic metal oxide semiconductor material ZnO is well suited for low‐cost solution method studies due to its easy preparation, very high transmittance in the visible spectrum, low cost, and suitable energy levels matching p‐Si. Herein, ZnO is spin coated on the back of p‐Si to form a heterojunction, together with spin coating of PEDOT:PSS on the front side as the hole transport layer and passivation layer, a PEDOT:PSS/p‐Si/ZnO‐structured p‐Si‐based backcontact hybrid solar cell is successfully fabricated at low temperature (≤135 °C) via solution process with a PCE of 9.77% (Voc = 0.56 V, Jsc = 25.99 mA cm−2, fill factor = 67.10%). This work provides a promising approach for fabricating high‐performance and low‐cost silicon‐based heterojunction solar cells.","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"91 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90403487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic and Optical Properties of CH3NH3SnI3 and CH(NH2)2SnI3 Perovskite Solar Cell CH3NH3SnI3和CH(NH2)2SnI3钙钛矿太阳能电池的电子和光学性质
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-07-01 DOI: 10.1002/pssr.202300020
Nguyen Thi Han, Vo Khuong Dien, Ming-Fa Lin
{"title":"Electronic and Optical Properties of CH3NH3SnI3 and CH(NH2)2SnI3 Perovskite Solar Cell","authors":"Nguyen Thi Han, Vo Khuong Dien, Ming-Fa Lin","doi":"10.1002/pssr.202300020","DOIUrl":"https://doi.org/10.1002/pssr.202300020","url":null,"abstract":"Using first‐principles calculations, a study on the electronic and optical characteristics of perovskite solar cells containing the orthorhombic phases CH3NH3SnI3 and CH(NH2)2SnI3 is conducted. The analysis includes the examination of relaxed geometry structures, electronic band structures, charge density distributions, and van Hove singularities in the density of states to thoroughly examine the orbital hybridizations in chemical bonds. The optical properties of the materials with and without excitonic effects by analyzing dielectric functions, energy loss functions, absorption coefficients, and reflectance spectra are also studied. The findings identify the close connections between the initial and final orbital hybridizations, as well as prominent optical excitations. Based on the computational predictions, It is believed that lead‐free materials such as CH3NH3SnI3 and CH(NH2)2SnI3 are promising candidates for photovoltaic applications and are worth experimental testing.","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"34 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72942538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
A New Strategy for Preparing Advanced Aluminum/Steel Joint Using Low‐Temperature Explosive Welding Technology 低温爆炸焊接技术制备先进铝/钢接头的新策略
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-06-30 DOI: 10.1002/pssr.202300179
Ming Yang, Jinxiang Wang, Chao Cao, Junfeng Xu
{"title":"A New Strategy for Preparing Advanced Aluminum/Steel Joint Using Low‐Temperature Explosive Welding Technology","authors":"Ming Yang, Jinxiang Wang, Chao Cao, Junfeng Xu","doi":"10.1002/pssr.202300179","DOIUrl":"https://doi.org/10.1002/pssr.202300179","url":null,"abstract":"Obtaining a high‐quality Al/Fe joint remains a challenging task, due to formation of the various defects associated with melting phenomenon. Herein, a new strategy, lowering of initial temperature of the welded plates, is proposed to suppress the undesirable melting zone. Contrast experiments are conducted at low temperature (−50 °C) and room temperature (25 °C), respectively, and the microstructures and mechanical properties of the achieved joints are carefully investigated. It is found that this strategy is an effective way to improve the quality of Al/Fe joint, where the melting‐related defects are significantly reduced, and the bonding strength is increased by 18% when compared to the traditional method. In addition, the lowering of initial temperature enables to preserve the original properties of the parent metals by mitigating the impact‐induced grain structure evolution. This phenomenon is first demonstrated in this work and can be employed as a processing strategy to develop an advanced Al/Fe joint.","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"58 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87252981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive Study of Electron Conduction and Its Compensation for Degenerate Si‐Doped AlN‐Rich AlGaN 简并态Si掺杂富AlN海藻的电子传导及其补偿的综合研究
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-06-27 DOI: 10.1002/pssr.202300055
K. Kataoka, T. Narita, Y. Yagi, K. Nagata, Y. Saito
{"title":"Comprehensive Study of Electron Conduction and Its Compensation for Degenerate Si‐Doped AlN‐Rich AlGaN","authors":"K. Kataoka, T. Narita, Y. Yagi, K. Nagata, Y. Saito","doi":"10.1002/pssr.202300055","DOIUrl":"https://doi.org/10.1002/pssr.202300055","url":null,"abstract":"","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79702647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Y‐Stabilized ZrO2 as a Promising Wafer Material for the Epitaxial Growth of Transition Metal Dichalcogenides Y稳定ZrO2作为过渡金属二硫族化合物外延生长的有前途的晶圆材料
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-06-25 DOI: 10.1002/pssr.202300141
Rongbin Wang, M. Schmidbauer, Norbert Koch, Jens Martin, S. Sadofev
{"title":"Y‐Stabilized ZrO2 as a Promising Wafer Material for the Epitaxial Growth of Transition Metal Dichalcogenides","authors":"Rongbin Wang, M. Schmidbauer, Norbert Koch, Jens Martin, S. Sadofev","doi":"10.1002/pssr.202300141","DOIUrl":"https://doi.org/10.1002/pssr.202300141","url":null,"abstract":"","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"91 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78203143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bio‐inspired Vertical Transistors from Artificial Synapse to Neuromorphic System 从人工突触到神经形态系统的仿生垂直晶体管
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-06-21 DOI: 10.1002/pssr.202300181
Yanran Li, Zhuohui Huang, Yi Zhang, Jie Jiang
{"title":"Bio‐inspired Vertical Transistors from Artificial Synapse to Neuromorphic System","authors":"Yanran Li, Zhuohui Huang, Yi Zhang, Jie Jiang","doi":"10.1002/pssr.202300181","DOIUrl":"https://doi.org/10.1002/pssr.202300181","url":null,"abstract":"","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"9 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73276547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First‐Principles Investigation of NO Molecule Adsorption on As6/Sb6 and Sb6/Bi6 Lateral Heterostructures NO分子在As6/Sb6和Sb6/Bi6横向异质结构上吸附的第一性原理研究
physica status solidi (RRL) – Rapid Research Letters Pub Date : 2023-06-21 DOI: 10.1002/pssr.202300184
Dan Yang, D. Fang, Dengkui Wang, Jinhua Li, Yingjiao Zhai, X. Chu, Dandan Wang, Xiao-hua Wang, Haoxia Yan, X. Fang
{"title":"First‐Principles Investigation of NO Molecule Adsorption on As6/Sb6 and Sb6/Bi6 Lateral Heterostructures","authors":"Dan Yang, D. Fang, Dengkui Wang, Jinhua Li, Yingjiao Zhai, X. Chu, Dandan Wang, Xiao-hua Wang, Haoxia Yan, X. Fang","doi":"10.1002/pssr.202300184","DOIUrl":"https://doi.org/10.1002/pssr.202300184","url":null,"abstract":"Predicting and designing highly gas‐sensitive semiconductors is crucial for solving growing environmental problems. Herein, four lateral heterostructures (LHSs), As6/Sb6 AC‐/ZZ‐LHSs and Sb6/Bi6 AC‐/ZZ‐LHSs, are constructed. The adsorption of NO molecule on these LHSs is investigated using first‐principle calculations. The results indicate that the adsorption of NO molecule on As6/Sb6 LHS with armchair (AC) interface is physisorption, whereas NO molecule is chemically adsorbed on As6/Sb6 LHS with zigzag (ZZ) interface and Sb6/Bi6 AC‐/ZZ‐LHSs, with strong adsorption energy and large charge transfer. All LHSs act as charge donors for the NO molecule. Meanwhile, the adsorption of NO molecule causes a significant change in the electronic properties of As6/Sb6 ZZ‐LHS and Sb6/Bi6 AC‐/ZZ‐LHSs, which shows that these LHSs have great potential for application in NO gas sensors.","PeriodicalId":20059,"journal":{"name":"physica status solidi (RRL) – Rapid Research Letters","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90335113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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