First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application | |
Sun, Lei3; Wu, Tao1,3; Jiang, Lei3; Deng, Wei-Qiao3; Zou, Kun4; Lu, Rui-Feng1; Li, Ai-Long2,5; Li, Ya-Juan3,5 | |
刊名 | JOURNAL OF PHYSICAL CHEMISTRY C |
2017-11-09 | |
卷号 | 121期号:44页码:24359-24364 |
英文摘要 | Although organo-halide lead perovskite solar cells have achieved outstanding photovoltaic performance in recent years, environmental concern about lead pollutant limits its large-scale commercialization. To address lead-free organo-halide perovskite materials, here we report first-principles screening of different perovskite materials MAXI(3) with consideration of all possible (27 in total) divalent metal ions. Ten kinds of perovskite structures are obtained with a nonzero bandgap, and the others are metallic. Among them, five kinds of perovskite materials (MAXI(3): X = Pb, Sn, Ge, Cd, Be) have appropriate bandgaps as the light-absorbing material in solar cells, in which MACdI(3) and MABeI(3) are reported for the first time. Various corresponding experiments have been carried out to confirm our theoretical predictions. |
WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
类目[WOS] | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
研究领域[WOS] | Chemistry ; Science & Technology - Other Topics ; Materials Science |
关键词[WOS] | ORGANOMETAL HALIDE PEROVSKITES ; TOTAL-ENERGY CALCULATIONS ; HYBRID SOLAR-CELLS ; WAVE BASIS-SET ; ELECTRONIC-PROPERTIES ; SEMICONDUCTORS ; PERFORMANCE ; CH3NH3PBI3 ; APPROXIMATION ; SUBSTITUTION |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000415140400001 |
内容类型 | 期刊论文 |
源URL | [http://cas-ir.dicp.ac.cn/handle/321008/149710] |
专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
作者单位 | 1.Nanjing Univ Sci & Technol, Dept Appl Phys, Nanjing 210094, Jiangsu, Peoples R China 2.Chinese Acad Sci, State Key Lab Catalysis, Dalian Natl Lab Clean Energy, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 3.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Natl Lab Clean Energy, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 4.China Three Gorges Univ, Coll Biol & Pharm, Hubei Key Lab Nat Prod Res & Dev, Yichang 443002, Peoples R China 5.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
推荐引用方式 GB/T 7714 | Sun, Lei,Wu, Tao,Jiang, Lei,et al. First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2017,121(44):24359-24364. |
APA | Sun, Lei.,Wu, Tao.,Jiang, Lei.,Deng, Wei-Qiao.,Zou, Kun.,...&Li, Ya-Juan.(2017).First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application.JOURNAL OF PHYSICAL CHEMISTRY C,121(44),24359-24364. |
MLA | Sun, Lei,et al."First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application".JOURNAL OF PHYSICAL CHEMISTRY C 121.44(2017):24359-24364. |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论