Iodine interstitials as a cause of nonradiative recombination in hybrid perovskites

• DOI: 10.1103/physrevb.101.140101
• Publication Date: 2020-04-16T12:23:24Z
• Authors: Xie Zhang; Mark E. Turiansky; Jimmy-Xuan Shen; Chris G. Van de W...
• Keywords: 02 engineering and technology; 0210 nano-technology

The identification of deep-level defects that act as detrimental nonradiative recombination centers is critical for optimizing the optoelectronic performance hybrid perovskites. Although extensive studies have been devoted to revealing nature in perovskites, it still unclear what are responsible experimentally observed rates. Employing first-principles approaches, we quantitatively show iodine interstitial a dominant center methylammonium-lead iodide. This important insight points target defect engineering order further improve