Oxygen dissociation on the C3N monolayer: A first-principles study
Liang Zhao, Wenjin Luo, Zhijing Huang, Zihan Yan, Hui Jia, Wei Pei, Yusong Tu
Topics & Concepts
MonolayerDissociation (chemistry)PhysisorptionGrapheneAdsorptionChemical physicsOxygenAb initioChemistryAb initio quantum chemistry methodsMaterials sciencePhotochemistryChemical engineeringComputational chemistryNanotechnologyMoleculePhysical chemistryOrganic chemistryEngineeringGraphene research and applications2D Materials and ApplicationsMXene and MAX Phase Materials