Optoelectronic performance of perovskites Cs2KMI6 (M = Ga, In) based on high-throughput screening and first-principles calculations

Fangfang Qi,Xin Lv,Jinhui Song, Xifeng Fu,Lingyi Meng,Can-Zhong Lu

Physical Chemistry Chemical Physics（2023）

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摘要

Developing novel lead-free perovskite materials with suitable bandgaps and superior thermal stability is crucial to boost their applications in the next-generation photovoltaic technologies. High throughput screening combined with first principles...

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