Adsorption of CO2, CO, NH3, NO2 and NO on g-C3N5 surface by first-principles calculations
Xinghong Cai, Qiang Yang, Yong Pang, Min Wang
Topics & Concepts
AdsorptionFermi levelBand gapDopingDensity of statesMoleculeDensity functional theoryConductivityCharge densityChemistryElectronAbsorption (acoustics)Fermi energyMaterials scienceCondensed matter physicsAtomic physicsPhysical chemistryComputational chemistryPhysicsQuantum mechanicsOrganic chemistryComposite materialAdvanced Photocatalysis Techniques2D Materials and ApplicationsMXene and MAX Phase Materials