Chemical functionalization induced photocatalytic performance for water splitting of silicene: A first-principles investigation
Gang Guo, Jingzhong Liu, Yajuan Xu, Gencai Guo, Siyi Tan
Topics & Concepts
SiliceneMaterials scienceJanusDensity functional theoryMonolayerSurface modificationBand gapPhotocatalytic water splittingAb initioChemical physicsSemiconductorPhotocatalysisWater splittingAbsorption (acoustics)NanotechnologyComputational chemistryGrapheneOptoelectronicsPhysical chemistryChemistryComposite materialOrganic chemistryCatalysisGraphene research and applications2D Materials and ApplicationsMetamaterials and Metasurfaces Applications