Journal article
Unraveling the Water Degradation Mechanism of CH3NH3PbI3
Abstract
Instability of perovskite photovoltaics is still a topic that is currently under intense debate, especially the role of the water environment. Unraveling the mechanism of this instability is urgent to enable practical application of perovskite solar cells. Here, ab initio metadynamics is employed to investigate the initial phase of a dissolution process of CH3NH3PbI3 (MAPbI3) in explicit water. It is found that the initial dissolution of MAPbI3 …
Authors
Zheng C; Rubel O
Journal
The Journal of Physical Chemistry C, Vol. 123, No. 32, pp. 19385–19394
Publisher
American Chemical Society (ACS)
Publication Date
August 15, 2019
DOI
10.1021/acs.jpcc.9b05516
ISSN
1932-7447