DFT calculations for single-atom confinement effects of noble metals on monolayer g-C<sub>3</sub>N<sub>4</sub> for photocatalytic applications
Cheng Yang, Zong‐Yan Zhao, Haitang Wei, Xiyu Deng, Qingju Liu
Abstract
Graphitic carbon nitride, as a very promising two-dimensional structure host for single atom catalysts (SACs), has been studied extensively due to its significant confinement effects of single atoms for photocatalytic applications.
Topics & Concepts
Materials scienceMonolayerNoble metalFermi levelPhotocatalysisElectronic structureGraphitic carbon nitrideBand gapAtom (system on chip)NanotechnologyMetalCatalysisChemistryComputational chemistryOptoelectronicsElectronPhysicsComputer scienceEmbedded systemQuantum mechanicsMetallurgyBiochemistryAdvanced Photocatalysis Techniques2D Materials and ApplicationsMXene and MAX Phase Materials