Surface functionalization of penta-siligraphene monolayer for nanoelectronic, optoelectronic and photocatalytic water-splitting: A first-principles study
Mohammad Maymoun, Said Oukahou, Abdelali Elomrani, Mohammed Lamhani, Y. Bahou, A. Hasnaoui, K. Sbiaai
Topics & Concepts
MonolayerBand gapWater splittingMaterials scienceDensity functional theoryAbsorption (acoustics)Photocatalytic water splittingHybrid functionalSemiconductorOptoelectronicsAbsorption edgePhotocatalysisSurface modificationDirect and indirect band gapsNanotechnologyPhotochemistryChemistryComputational chemistryPhysical chemistryOrganic chemistryCatalysisComposite materialGraphene research and applications2D Materials and ApplicationsMXene and MAX Phase Materials