Carbon monoxide interaction with B12N12 nanocage with and without an external electric field: a DFT study
Adilson Luís Pereira Silva, Jaldyr de Jesus Gomes Varela Júnior
Topics & Concepts
NanocagesMaterials scienceElectric fieldDipoleBasis setDensity functional theoryCarbon monoxideBoron nitrideBand gapMoleculeElectric dipole momentCluster (spacecraft)Computational chemistryNanotechnologyPhysicsOptoelectronicsChemistryProgramming languageBiochemistryCatalysisQuantum mechanicsComputer scienceBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryGraphene research and applications