A first-principles investigation of Cr adsorption on C<sub>8</sub> and B<sub>4</sub>N<sub>4</sub> nanocages in aqueous mediums
Mohammad Tanvir Ahmed, Debashis Roy, Abdullah Al Roman, Shariful Islam, Farid Ahmed
Abstract
nanostructures potential candidates for Cr-detection and removal applications.
Topics & Concepts
NanocagesAdsorptionMulliken population analysisAqueous solutionDensity functional theoryCovalent bondMetalChemical physicsChemistryNanostructureMaterials sciencePhysical chemistryComputational chemistryNanotechnologyOrganic chemistryCatalysisBoron and Carbon Nanomaterials ResearchZnO doping and propertiesAdvanced Photocatalysis Techniques