| Title | Interfacial Oxygen Vacancies as a Potential Cause of Hysteresis in Perovskite Solar Cells |
| Authors | Zhang, Fan Ma, Wei Guo, Haizhong Zhao, Yicheng Shan, Xinyan Jin, Kuijuan Tian, He Zhao, Qing Yu, Dapeng Lu, Xinghua Lu, Gang Meng, Sheng |
| Affiliation | Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. Peking Univ, Beijing 100871, Peoples R China. Collaborat Innovat Ctr Quantum Matter, Beijing 100190, Peoples R China. Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China. Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA. Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. Guo, HZ Meng, S (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. Lu, G (reprint author), Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA. |
| Keywords | AUGMENTED-WAVE METHOD HIGH-PERFORMANCE ANOMALOUS HYSTERESIS VAPOR-DEPOSITION TIO2 ELECTRODES MESOPOROUS TIO2 LOW-TEMPERATURE CH3NH3PBI3 EFFICIENT DYNAMICS |
| Issue Date | 2016 |
| Publisher | CHEMISTRY OF MATERIALS |
| Citation | CHEMISTRY OF MATERIALS.2016,28,(3),802-812. |
| Abstract | Organometal halide perovskite solar cells (PSCs) have emerged as one of the most promising photovoltaic technologies with efficiencies exceeding 20.3%. However, device stability problems including hysteresis in current voltage scans must be resolved before the commercialization of PSCs. Transient absorption measurements and first-principles calculations indicate that the migration of oxygen vacancies in the TiO2 electrode under electric field during voltage scans contributes to the anomalous hysteresis in PSCs. The accumulation of oxygen vacancies at the electrode/perovskite interface slows down charge extraction while significantly speeding up charge recombination at the interface. Moreover, nonadiabatic molecular dynamics simulations reveal that the charge recombination rates at the interface depend sensitively (with 1 order of magnitude difference) on the locations of oxygen vacancies. By intentionally reducing oxygen vacancies in the TiO2 electrode, we substantially suppress unfavorable hysteresis in the PSC devices. This work establishes a firm link between microscopic interfacial structure and macroscopic device performance of PSCs, providing important clues for future device design and optimization. |
| URI | http://hdl.handle.net/20.500.11897/437693 |
| ISSN | 0897-4756 |
| DOI | 10.1021/acs.chemmater.5b04019 |
| Indexed | SCI(E) EI |
| Appears in Collections: | 待认领 |
