Enhancing surface stabilization of CH<inf>3</inf>NH<inf>3</inf>PbI<inf>3</inf> perovskite by Cl and Br doping: First-principles study

• Main Authors: Sittichain Pramchu, Tawinan Cheiwchanchamnangij, Yongyut Laosiritaworn, Atchara Punya Jaroenjittichai
• 格式: 雜誌
• 出版: 2019
• 主題: Physics and Astronomy
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85063232910&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/65874

© 2019 Author(s). In this study, the effects of Cl and Br surface doping on the surfaces' structural stability of CH3NH3PbI3 (MAPbI3) perovskite have been investigated using the density functional theory. Its aim is to pursue how to stabilize a flat surfaces structure (no vacancy) of the MAPbI3...