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DOI | 10.1126/science.aay9698 |
Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics | |
Wang, Rui1,2; Xue, Jingjing1,2; Wang, Kai-Li3; Wang, Zhao-Kui1,2,3; Luo, Yanqi4; Fenning, David4; Xu, Guangwei1,2; Nuryyeva, Selbi1,2,5; Huang, Tianyi1,2; Zhao, Yepin1,2; Yang, Jonathan Lee6; Zhu, Jiahui1,2; Wang, Minhuan1,2; Tan, Shaun1,2; Yavuz, Ilhan7; Houk, Kendall N.5; Yang, Yang1,2,8 | |
2019-12-20 | |
发表期刊 | SCIENCE |
ISSN | 0036-8075 |
EISSN | 1095-9203 |
出版年 | 2019 |
卷号 | 366期号:6472页码:1509-+ |
文章类型 | Article |
语种 | 英语 |
国家 | USA; Peoples R China; Turkey |
英文摘要 | Surface trap-mediated nonradiative charge recombination is a major limit to achieving high-efficiency metal-halide perovskite photovoltaics. The ionic character of perovskite lattice has enabled molecular defect passivation approaches through interaction between functional groups and defects. However, a lack of in-depth understanding of how the molecular configuration influences the passivation effectiveness is a challenge to rational molecule design. Here, the chemical environment of a functional group that is activated for defect passivation was systematically investigated with theophylline, caffeine, and theobromine. When N-H and C=O were in an optimal configuration in the molecule, hydrogen-bond formation between N-H and I (iodine) assisted the primary C=O binding with the antisite Pb (lead) defect to maximize surface-defect binding. A stabilized power conversion efficiency of 22.6% of photovoltaic device was demonstrated with theophylline treatment. |
领域 | 地球科学 ; 气候变化 ; 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000503861000054 |
WOS关键词 | TOTAL-ENERGY CALCULATIONS ; SOLAR-CELLS ; EFFICIENT ; PERFORMANCE ; INTERFACE ; STABILITY ; IODIDE |
WOS类目 | Multidisciplinary Sciences |
WOS研究方向 | Science & Technology - Other Topics |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/226508 |
专题 | 环境与发展全球科技态势 |
作者单位 | 1.Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA; 2.Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA; 3.Soochow Univ, Jiangsu Key Lab CarbonBased Funct Mat & Devices, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Peoples R China; 4.Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA; 5.Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA; 6.Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA; 7.Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey; 8.Westlake Univ, Sch Engn, Hangzhou 310024, Zhejiang, Peoples R China |
推荐引用方式 GB/T 7714 | Wang, Rui,Xue, Jingjing,Wang, Kai-Li,et al. Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics[J]. SCIENCE,2019,366(6472):1509-+. |
APA | Wang, Rui.,Xue, Jingjing.,Wang, Kai-Li.,Wang, Zhao-Kui.,Luo, Yanqi.,...&Yang, Yang.(2019).Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics.SCIENCE,366(6472),1509-+. |
MLA | Wang, Rui,et al."Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics".SCIENCE 366.6472(2019):1509-+. |
条目包含的文件 | 条目无相关文件。 |
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