DICP OpenIR
First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application
Jiang, Lei1; Wu, Tao1,2; Sun, Lei1; Li, Ya-Juan1,3; Li, Ai-Long3,4; Lu, Rui-Feng2; Zou, Kun5; Deng, Wei-Qiao1
刊名JOURNAL OF PHYSICAL CHEMISTRY C
2017-11-09
DOI10.1021/acs.jpcc.7b04685
121期:44页:24359-24364
收录类别SCI
文章类型Article
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
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.
语种英语
WOS记录号WOS:000415140400001
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/149710
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Natl Lab Clean Energy, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Nanjing Univ Sci & Technol, Dept Appl Phys, Nanjing 210094, Jiangsu, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Chinese Acad Sci, State Key Lab Catalysis, Dalian Natl Lab Clean Energy, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
5.China Three Gorges Univ, Coll Biol & Pharm, Hubei Key Lab Nat Prod Res & Dev, Yichang 443002, Peoples R China
推荐引用方式
GB/T 7714
Jiang, Lei,Wu, Tao,Sun, 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 Jiang, Lei.,Wu, Tao.,Sun, Lei.,Li, Ya-Juan.,Li, Ai-Long.,...&Deng, Wei-Qiao.(2017).First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application.JOURNAL OF PHYSICAL CHEMISTRY C,121(44),24359-24364.
MLA Jiang, 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.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Jiang, Lei]的文章
[Wu, Tao]的文章
[Sun, Lei]的文章
百度学术
百度学术中相似的文章
[Jiang, Lei]的文章
[Wu, Tao]的文章
[Sun, Lei]的文章
必应学术
必应学术中相似的文章
[Jiang, Lei]的文章
[Wu, Tao]的文章
[Sun, Lei]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

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。