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Heterostructures stacked with X2SY (X = In, Ga; Y = Se, Te) and g-C2N monolayers for high power conversion efficiency solar cells: insight from electronic properties and nonadiabatic dynamics

文献类型：期刊论文

作者Wan, Xue-Qing1; Yang, Chuan-Lu1,2; Li, Xiao-Hu2,3; Liu, Yu-Liang1; Zhao, Wen-Kai1
刊名JOURNAL OF MATERIALS CHEMISTRY A
出版日期2024-05-23
页码10
ISSN号2050-7488
DOI10.1039/d4ta01263a
产权排序2
英文摘要Three heterostructures stacked with Janus group-III chalcogenides (X2SY; X = In, Ga and Y = Se, Te) and g-C2N monolayers are screened for solar cells based on the calculated electronic properties, optical absorption, power conversion efficiency, and nonadiabatic molecular dynamics (NAMD) simulations. A total of 114 different configurations of 14 heterostructures from the various stacking models of X2SY and g-C2N monolayers are considered. The power conversion efficiencies of the Ga2STe/In2STe, g-C2N/Ga2STe, and g-C2N/In2STe heterostructures with optimal stacking patterns are 14.06%, 10.01%, and 11.30%, respectively. Moreover, the power conversion efficiency of Ga2STe/In2STe can be enhanced to 20.79% under -4% compressive biaxial strain. The NAMD results demonstrate that all three heterostructures have a short interlayer carrier transfer time and a long electron-hole recombination time, which supports the high efficiency of carrier utilization in these heterostructures. Moreover, the long electron-hole recombination process and short electron/hole transfer process for g-C2N/In2STe are favorable for achieving a high power conversion efficiency. Therefore, this heterostructure is a promising material in the applications of solar cells.
WOS关键词DENSITY-FUNCTIONAL THEORY ; CARRIER DYNAMICS ; WAALS ; HETEROJUNCTION ; FIELD ; MOS2
资助项目National Natural Science Foundation of China[12374232] ; National Natural Science Foundation of China[2023] ; National Natural Science Foundation of China
WOS研究方向Chemistry ; Energy & Fuels ; Materials Science
语种英语
WOS记录号WOS:001240665100001
出版者ROYAL SOC CHEMISTRY
资助机构National Natural Science Foundation of China ; National Natural Science Foundation of China
源URL[http://ir.xao.ac.cn/handle/45760611-7/6751]  
专题天体化学研究团组
通讯作者Yang, Chuan-Lu
作者单位1.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China
2.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China
3.Chinese Acad Sci, Key Lab Radio Astron, Urumqi 830011, Peoples R China
推荐引用方式
GB/T 7714		 Wan, Xue-Qing,Yang, Chuan-Lu,Li, Xiao-Hu,et al. Heterostructures stacked with X2SY (X = In, Ga; Y = Se, Te) and g-C2N monolayers for high power conversion efficiency solar cells: insight from electronic properties and nonadiabatic dynamics[J]. JOURNAL OF MATERIALS CHEMISTRY A,2024:10.
APA Wan, Xue-Qing,Yang, Chuan-Lu,Li, Xiao-Hu,Liu, Yu-Liang,&Zhao, Wen-Kai.(2024).Heterostructures stacked with X2SY (X = In, Ga; Y = Se, Te) and g-C2N monolayers for high power conversion efficiency solar cells: insight from electronic properties and nonadiabatic dynamics.JOURNAL OF MATERIALS CHEMISTRY A,10.
MLA Wan, Xue-Qing,et al."Heterostructures stacked with X2SY (X = In, Ga; Y = Se, Te) and g-C2N monolayers for high power conversion efficiency solar cells: insight from electronic properties and nonadiabatic dynamics".JOURNAL OF MATERIALS CHEMISTRY A (2024):10.

入库方式： OAI收割

来源：新疆天文台

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