Density functional theory study on the enhanced adsorption mechanism of gaseous pollutants on Al-doped Ti2CO2 monolayer
Zechao Wu, Junhui Zhou, Didi Li, Zhimin Ao, Taicheng An, Guoxiu Wang
Topics & Concepts
AdsorptionMonolayerDensity functional theoryPollutantDopingMechanism (biology)Materials scienceChemical physicsChemistryChemical engineeringEnvironmental chemistryNanotechnologyPhysical chemistryComputational chemistryPhysicsOptoelectronicsOrganic chemistryEngineeringQuantum mechanicsMXene and MAX Phase Materials2D Materials and ApplicationsGraphene research and applications