Putrescine adsorption on pristine and Cu-decorated B12N12 nanocages: A density functional theory study

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

2022Computational and Theoretical Chemistry30 citationsDOI

Topics & Concepts

NanocagesDensity functional theoryChemistryAdsorptionWork functionNanotechnologyComputational chemistryChemical engineeringPhysical chemistryOrganic chemistryMetalMaterials scienceEngineeringCatalysisBoron and Carbon Nanomaterials ResearchCopper-based nanomaterials and applicationsMXene and MAX Phase Materials