Abstract
Despite the major improvements in device efficiency, perovskite solar cells (PSCs) are limited by their poor stability due to the degradation toward moisture. Recently studies have demonstrated that the perovskite materials can be stabilized by adding more inorganic elements such as Cs and Rb. However, the specific mechanism is not yet fully established. In this paper, first-principles calculations were employed to investigate the effects of Rb incorporation and water degradation on cubic formamidinium lead iodide (FAPbI3) perovskite. The termination dependence of the structural stability of the representative (100), (010), and (001) surfaces was characterized by surface energies. The PbI2-terminated (001) surface was found to be the most stable surface structure. The Rb dopants were found to be energetically favorable, existing on the surface more than staying in the inner atomic layers. Furthermore, the degradation mechanism was investigated by water adsorption on the Rb-incorporated FAPbI3 (001) surfac...
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
