期刊
SMALL
卷 15, 期 16, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/smll.201900462
关键词
2D hybrid perovskite; first-principles calculation; solar cell; stability
类别
资金
- National Science Fund for Distinguished Young Scholars [61725403]
- King Abdullah University of Science and Technology (KAUST)
- Special Fund for Research on National Major Research Instruments [61827813]
- National Natural Science Foundation of China [61874118, 61574142, 61834008, 61804152]
- Key Program of the International Partnership Program of CAS [181722KYSB20160015]
- Special Project for Inter-Government Collaboration of the State Key Research and Development Program [2016YFE0118400]
- Jilin Provincial Science AMP
- Technology Department [20180201026GX]
- CAS Interdisciplinary Innovation Team, Youth Innovation Promotion Association of CAS
- CAS Pioneer Hundred Talents Program
2D organic-inorganic hybrid perovskites (OIHPs) may resolve the stability problem of bulk OIHPs. First-principles calculations are employed to investigate the mechanism behind their favorable material properties. Two processes are identified to play a critical role: First, the 2D structure supports additional distortions that enhance the intrinsic structural stability. Second, the surface terminations of 2D OIHPs suppress degradation effects due to humidity. Having uncovered the stabilization mechanism, 2D OIHPs are designed with optimal stability and favorable electronic properties.
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