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DFT Analysis of Structural, Energetic and Electronic Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1

Sousa,Adilson Luís Pereira Silva,Augusto César Azevedo Silva,Jaldyr de Jesus Gomes Varela Júnior

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS（2024）

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关键词
TM-modified B12N12,DFT calculations,Electronic properties,First-row transition metals
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