Possibility of Doping CuGaSe2 n-Type by Hydrogen
文献类型：期刊论文
| 作者 | Han, Miaomiao3; Deak, Peter2; Zeng, Zhi5; Frauenheim, Thomas1,2,4 |
| 刊名 | PHYSICAL REVIEW APPLIED
 |
| 出版日期 | 2021-04-12 |
| 卷号 | 15 |
| ISSN号 | 2331-7019 |
| DOI | 10.1103/PhysRevApplied.15.044021 |
| 通讯作者 | Han, Miaomiao(mmhan@zjhu.edu.cn) |
| 英文摘要 | Copper-indium-gallium-selenide (CIGS) alloys are successfully applied in thin-film solar cells. For a better use of the solar spectrum, they also offer the possibility of multijunction devices by tuning the composition in the different layers. As-grown CIGS is intrinsically p-type due to copper vacancies (V-Cu), but n-type doping is also useful for applications. While CuInSe2 can be easily turned n-type, CuGaSe2 cannot, and this represents a problem, because increasing the band gap of CIGS requires a high Ga/In ratio. Investigating the effect of hydrogen on CuGaSe2 by an optimized hybrid functional, we show that hydrogenation from an atomic source as, e.g., by a hydrogen plasma treatment, can turn the material n-type due to the formation of shallow donor V-Cu+2H complexes, while H-2 implantation, producing an internal hydrogen reservoir, can be used to produce semi-insulating material. We also show that under normal process conditions, unintentional hydrogen incorporation does not have a significant effect on CuGaSe2. |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; ELECTRICAL-PROPERTIES ; BAND-STRUCTURE ; POINT-DEFECTS ; SOLAR-CELLS ; WAVE ; SEMICONDUCTORS ; EFFICIENCY ; GAAS |
| 资助项目 | National Natural Science Foundation of China[61804154] ; HLRN Grant[hbp00054] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| 出版者 | AMER PHYSICAL SOC |
| WOS记录号 | WOS:000656828900002 |
| 资助机构 | National Natural Science Foundation of China ; HLRN Grant |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/123638]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Han, Miaomiao |
| 作者单位 | 1.Computat Sci & Appl Res CSAR Inst Shenzhen, 10 East Xibeiwang Rd, Beijing 100193, Peoples R China 2.Univ Bremen, Bremen Ctr Computat Mat Sci, D-28344 Bremen, Germany 3.Huzhou Univ, Sch Sci, Huzhou 313000, Zhejiang, Peoples R China 4.Computat Sci Res Ctr CSRC Beijing, 10 East Xibeiwang Rd, Beijing 100193, Peoples R China 5.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Han, Miaomiao,Deak, Peter,Zeng, Zhi,et al. Possibility of Doping CuGaSe2 n-Type by Hydrogen[J]. PHYSICAL REVIEW APPLIED,2021,15. |
| APA | Han, Miaomiao,Deak, Peter,Zeng, Zhi,&Frauenheim, Thomas.(2021).Possibility of Doping CuGaSe2 n-Type by Hydrogen.PHYSICAL REVIEW APPLIED,15. |
| MLA | Han, Miaomiao,et al."Possibility of Doping CuGaSe2 n-Type by Hydrogen".PHYSICAL REVIEW APPLIED 15(2021). |
入库方式： OAI收割
来源：合肥物质科学研究院
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