Defect-mediated CO2 activation at two-dimensional MgO monolayers: A DFT study
Kamal Kumar, Abhishek Dhasmana, Soni Mishra, Ramesh Sharma, Nora H. de Leeuw, Jost Adam, Abhishek Kumar Mishra, Abhishek Kumar Mishra
Topics & Concepts
Materials scienceMonolayerDensity functional theoryCrystallographyChemical physicsNanotechnologyComputational chemistryChemistryPhysicsElectronic and Structural Properties of OxidesMagnesium Oxide Properties and ApplicationsSuperconductivity in MgB2 and Alloys