First-principles study of S-doped point defects with different charge states in monolayer g-C3N4
Jie Li, Zhifeng Li, Jie Tan, Yuan Meng, Yong Lu, Tingting Zhang
Topics & Concepts
DopingDensity functional theoryGraphitic carbon nitridePhotocatalysisMaterials scienceValence (chemistry)Electron transferChemical physicsRedoxDensity of statesMonolayerElectronic structureNanotechnologyOptoelectronicsPhotochemistryCondensed matter physicsChemistryComputational chemistryCatalysisPhysicsOrganic chemistryMetallurgyBiochemistryAdvanced Photocatalysis Techniques2D Materials and ApplicationsMXene and MAX Phase Materials