Speaker: Dr. Wei Geng, Beijing Computational Science Research Center

Abstract: Methylammonium lead iodide perovskite, CH3NH3PbI3, has attracted particular attentions because of its fast increase in efficiency as solid-state solar cells. We performed first-principles calculations and dynamic simulations to investigate the  orthorhombic, tetragonal phase and two types of surface of CH3NH3PbI3.  We investigate the structure, thermodynamically stability, electronic properties, energy level alignment as well as optical properties.

Date&Time: November 21, 2014 (Friday), 14:30–15:30
Location: 606 Conference Room