Adsorption of small hydrocarbons on pristine, N-doped and vacancy graphene by DFT study
Kun Li, Ni Li, Ningning Yan, Tiyuan Wang, Yutai Zhang, Qiang Song, Hejun Li
Topics & Concepts
GrapheneVacancy defectAdsorptionDensity functional theoryDopantMaterials scienceMulliken population analysisCarbon fibersDopingChemical physicsGraphene nanoribbonsChemical engineeringInorganic chemistryComputational chemistryPhysical chemistryNanotechnologyChemistryCrystallographyComposite materialEngineeringOptoelectronicsComposite numberGraphene research and applicationsBoron and Carbon Nanomaterials ResearchAdvancements in Battery Materials