1. Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics
- Author
-
Kendall N. Houk, Minhuan Wang, Yepin Zhao, Selbi Nuryyeva, Yang Yang, Jingjing Xue, Jonathan Lee Yang, Kai-Li Wang, Yanqi Luo, Tianyi Huang, Zhao-Kui Wang, Shaun Tan, Guangwei Xu, Jiahui Zhu, David P. Fenning, Rui Wang, Ilhan Yavuz, Wang, Rui, Xue, Jingjing, Wang, Kai-Li, Wang, Zhao-Kui, Luo, Yanqi, Fenning, David, Xu, Guangwei, Nuryyeva, Selbi, Huang, Tianyi, Zhao, Yepin, Yang, Jonathan Lee, Zhu, Jiahui, Wang, Minhuan, Tan, Shaun, Yavuz, Ilhan, Houk, Kendall N., and Yang, Yang
- Subjects
SOLAR-CELLS ,Multidisciplinary ,Materials science ,STABILITY ,Passivation ,business.industry ,TOTAL-ENERGY CALCULATIONS ,Energy conversion efficiency ,EFFICIENT ,Ionic bonding ,Molecular configuration ,PERFORMANCE ,INTERFACE ,Chemical engineering ,Photovoltaics ,Lattice (order) ,IODIDE ,Molecule ,business - Abstract
Optimizing surface passivation Unproductive charge recombination at surface defects can limit the efficiency of hybrid perovskite solar cells, but these defects can be passivated by the binding of small molecules. Wang et al. studied three such small molecules—theophylline, caffeine, and theobromine—that bear both carbonyl and amino groups. For theophylline, hydrogen bonding of the amino hydrogen to surface iodide optimized the carbonyl interaction with a lead antisite defect and improved the efficiency of a perovskite cell from 21 to 22.6%. Science , this issue p. 1509
- Published
- 2019
- Full Text
- View/download PDF