Transition-Metal-Doped SiP<sub>2</sub> Monolayer for Effective CO<sub>2</sub> Capture: A Density Functional Theory Study
Kelvin Wang, Xuan Luo
Abstract
capture and removal.
Topics & Concepts
Density functional theoryMonolayerMaterials scienceDopingAdsorptionOrthorhombic crystal systemVanadiumTransition metalChemical physicsSiliconNanotechnologyComputational chemistryPhysical chemistryChemistryCrystallographyOptoelectronicsCrystal structureCatalysisMetallurgyBiochemistryMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and DevicesSuperconductivity in MgB2 and Alloys