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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 | |
Wan, Xue-Qing1; Yang, Chuan-Lu1,2; Li, Xiao-Hu2,3 ; Liu, Yu-Liang1; Zhao, Wen-Kai1
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| 2024-05-23 | |
| Source Publication | JOURNAL OF MATERIALS CHEMISTRY A
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| ISSN | 2050-7488 |
| Pages | 10 |
| Contribution Rank | 2 |
| Abstract | 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. |
| DOI | 10.1039/d4ta01263a |
| Indexed By | SCI |
| Language | 英语 |
| WOS Keyword | DENSITY-FUNCTIONAL THEORY ; CARRIER DYNAMICS ; WAALS ; HETEROJUNCTION ; FIELD ; MOS2 |
| Funding Project | National Natural Science Foundation of China[12374232] ; National Natural Science Foundation of China[2023] ; National Natural Science Foundation of China |
| WOS Research Area | Chemistry ; Energy & Fuels ; Materials Science |
| WOS Subject | Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary |
| WOS ID | WOS:001240665100001 |
| Publisher | ROYAL SOC CHEMISTRY |
| Funding Organization | National Natural Science Foundation of China ; National Natural Science Foundation of China |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.xao.ac.cn/handle/45760611-7/6752 |
| Collection | 射电天文研究室_天体化学研究团组 |
| Corresponding Author | Yang, Chuan-Lu |
| Affiliation | 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 |
| Corresponding Author Affilication | Xinjiang Astronomical Observatory, Chinese Academy of Sciences |
| Recommended Citation 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. |
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| Wan-2024-Two-dimensi（3950KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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