Computational modeling guided design of metal–organic frameworks for photocatalysis – a mini review

Catal. Sci. Technol., 2023, Advance Article
DOI: 10.1039/D3CY00862B, Minireview
Sheng Yu, Qiaomin Wang, Jinglei Wang, Cong Fang, Yuanzhe Li, Jiankai Ge, Baizeng Fang
Metal–organic frameworks (MOFs) are porous materials used in photocatalysis. Their structure is optimized using computational modeling. This review emphasizes the role of computational design in enhancing MOF efficiency.
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