DFT Analysis of Dynamic, Charge, and TD-DFT Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 2

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS（2024）

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TM-modified B12N12,DFT calculations,Optical properties,First-row transition metals

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