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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

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

2024Journal of Inorganic and Organometallic Polymers and Materials12 citationsDOI

Topics & Concepts

NanocagesMaterials scienceDopingTransition metalDensity functional theoryNanotechnologyEngineering physicsComputational chemistryOptoelectronicsChemistryPhysicsCatalysisBiochemistryBoron and Carbon Nanomaterials ResearchPolymer Nanocomposite Synthesis and IrradiationBoron Compounds in Chemistry
DFT Analysis of Structural, Energetic and Electronic Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1 | Litcius