Insight into the effect of boron doping on electronic structure, photocatalytic and adsorption performance of g-C3N4 by first-principles study
Bo Wei, Wei Wang, Jianfei Sun, Qiong Mei, Zexiu An, Haijie Cao, Dandan Han, Ju Xie, Jinhua Zhan, Maoxia He
Topics & Concepts
DopingDelocalized electronMaterials scienceDensity functional theoryBand gapElectronic structureGraphitic carbon nitrideBoron nitrideAtom (system on chip)AdsorptionBoronHOMO/LUMOPhotocatalysisImpurityChemical physicsComputational chemistryNanotechnologyPhysical chemistryChemistryMoleculeOptoelectronicsOrganic chemistryCatalysisEmbedded systemComputer scienceAdvanced Photocatalysis Techniques2D Materials and ApplicationsElectronic and Structural Properties of Oxides