Cu-modified B12N12 nanocage as a chemical sensor for nitrogen monoxide gas: a density functional theory study
Natanael de Sousa Sousa, Adilson Luís Pereira Silva, Augusto César Azevedo Silva, Jaldyr de Jesus Gomes Varela Júnior
Topics & Concepts
NanocagesDensity functional theoryMaterials scienceAdsorptionMoleculeCarbon monoxideWork functionSelectivityCopperChemical engineeringNanotechnologyPhysical chemistryComputational chemistryOrganic chemistryChemistryEngineeringCatalysisMetallurgyLayer (electronics)Boron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryMXene and MAX Phase Materials