N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach
Francis M. Enujekwu, Yue Zhang, Collins I. Ezeh, Haitao Zhao, Mengxia Xu, Elena Besley, Michael W. George, Nicholas A. Besley, Hainam Do, Tao Wu
Topics & Concepts
PhysisorptionAdsorptionChemisorptionDensity functional theoryDopingMaterials scienceDissociation (chemistry)Vacancy defectChemical physicsChemical engineeringComputational chemistryInorganic chemistryPhysical chemistryChemistryCrystallographyOptoelectronicsEngineering2D Materials and ApplicationsMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques