Novel properties of vacancy-ordered perovskite-Cs2BCl6 induced by d-orbital electrons

The all-inorganic lead-free vacancy-ordered perovskite offers a promising avenue toward nontoxic and stable optoelectronic materials. Herein, we present a first-principles study of the structural stability, optical absorption, electronic structure, and mechanical behavior of Cs2BCl6 compounds with B...

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Bibliographic Details
Main Authors: Siyu Zhang, Lu Wang, Yujia Guo, Jie Su, Haidong Yuan, Zhenhua Lin, Lixin Guo, Yue Hao, Jingjing Chang
Format: Article
Language:English
Published: Elsevier 2025-03-01
Series:Journal of Materiomics
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Online Access:http://www.sciencedirect.com/science/article/pii/S2352847824000662
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