Multi Band Gap Electronic Structure in CH₃NH₃PbI₃.

ABSTRACT: Organo-lead halide perovskite solar cells represent a revolutionary shift in solar photovoltaics, introducing relatively soft defect containing semiconductors as materials with excellent charge collection for both electrons and holes. Although they are based on the nominally simple cubic perovskite structure, these compounds are in fact very complex. For example, in (CH₃NH₃)PbI₃ the dynamics and ensuing structural fluctuations associated with the (CH₃NH₃)⁺ ions and the interplay with the electronic properties are still not fully understood, despite extensive study. Here, using ab-initio calculations, we show that at room and higher temperature, the rotation of CH₃NH₃ molecules can be viewed as effective

SUBMITTER: Ong KP 

PROVIDER: S-EPMC6376135 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature