Band Structure Engineering of Cs2AgBiBr6 Perovskite through Order–Disordered Transition: A First-Principle Study

• Published in: The journal of physical chemistry letters Vol. 9; no. 1; pp. 31 - 35
• Main Authors: Yang, Jingxiu, Zhang, Peng, Wei, Su-Huai
• Format: Journal Article
• Language: English
• Published: American Chemical Society 04.01.2018

Cs2AgBiBr6 was proposed as one of the inorganic, stable, and nontoxic replacements of the methylammonium lead halides (CH3NH3PbI3, which is currently considered as one of the most promising light-harvesting material for solar cells). However, the wide indirect band gap of Cs2AgBiBr6 suggests that it...