A strategy for enhancing the photoactivity of g-C<sub>3</sub>N<sub>4</sub>-based single-atom catalysts <i>via</i> sulphur doping: a theoretical study
Yanqing Guo, Meng Xia, Mingkun Zhang, Jing Zou, Yue You, Wei Cheng, Junfeng Dou
Abstract
The sulphur-doping strategy was proposed to enhance the incorporation of single Pt atoms in monolayer graphitic carbon nitride and the density functional theory calculations verified it has superb photocatalytic activity.
Topics & Concepts
SulfurDensity functional theoryDopingMonolayerGraphitic carbon nitrideCatalysisAtom (system on chip)PhotocatalysisNitrideMaterials scienceCarbon fibersNanotechnologyComputational chemistryPhysical chemistryChemical physicsChemistryOptoelectronicsComputer scienceOrganic chemistryMetallurgyLayer (electronics)Parallel computingComposite numberComposite materialAdvanced Photocatalysis Techniques2D Materials and ApplicationsMXene and MAX Phase Materials