TY - RPRT TI - Point defects at grain boundaries can create structural instabilities and persistent deep traps in metal halide perovskites AU - Wu, Yifan [Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA] AU - Liu, Dongyu [HSE University, 101000 Moscow, Russia] (ORCID:0000000169411885) AU - Chu, Weibin [Key Laboratory of Computational Physical Sciences (Ministry of Education), Institute of Computational Physical Sciences, Fudan University, Shanghai 200433, China] (ORCID:0000000159510337) AU - Wang, Bipeng [Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA] (ORCID:0000000309245867) AU - Vasenko, Andrey S. [HSE University, 101000 Moscow, Russia, Donostia International Physics Center (DIPC), 20018 San Sebastián-Donostia, Euskadi, Spain] (ORCID:0000000229788650) AU - Prezhdo, Oleg V. [Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA, Department of Physics and Astronomy, University of Southern California, Los Angeles, CA 90089, USA] (ORCID:0000000251407500) PY - 2025 DO - 10.1039/d4nr03424d UR - https://www.osti.gov/biblio/2481021 ID - 2481021 ER -