Exploring the adsorption and sensing behavior of the M-Nx-B36-x (M=Fe, Ni, and Cu; x=0, 3) bowl-shaped structures upon CO, NO, O2, and N2 molecules: A first-principles study

Nasim Hassani, Maryam Mehdizade

2020Physica E Low-dimensional Systems and Nanostructures17 citationsDOI

Topics & Concepts

AdsorptionMoleculeDopingTransition metalChemistryDensity functional theoryMetalCrystallographyMaterials sciencePhysical chemistryComputational chemistryOrganic chemistryCatalysisOptoelectronicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsGas Sensing Nanomaterials and Sensors