High-throughput computational study of halide double perovskite inorganic compounds

• Main Authors: Cai, Yao, Xie, Wei, Teng, Yin Ting, Harikesh, Padinhare Cholakkal, Ghosh, Biplab, Huck, Patrick, Persson, Kristin Aslaug, Mathews, Nripan, Mhaisalkar, Subodh Gautam, Sherburne, Matthew, Asta, Mark
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Materials; Perovskite; Solar Absorbers
• Online Access: https://hdl.handle.net/10356/141383
• Institution: Nanyang Technological University

Double perovskite halides are a class of materials with diverse chemistries that are amenable to solution-based synthesis routes, and display a range of properties for a variety of potential applications. Starting from a consideration of the octahedral and tolerance factors of ∼2000 candidate double...