Prediction of 2D IV–V semiconductors: flexible monolayers with tunable band gaps and strong optical absorption as water-splitting photocatalysts
Luqi Liu, Xuxin Kang, Shan Gao, Xiangmei Duan
Abstract
Strain modulates the band edge positions and light absorption of GeAs 2 , SnP 2 and SnAs 2 sheets, improving their photocatalytic performance.
Topics & Concepts
Materials scienceSemiconductorBand gapDensity functional theoryMonolayerWater splittingPhotocatalysisPhotocatalytic water splittingDirect and indirect band gapsValence (chemistry)Absorption (acoustics)Absorption edgeAnisotropyModulusOptoelectronicsNanotechnologyComputational chemistryChemistryOpticsComposite materialBiochemistryPhysicsOrganic chemistryCatalysis2D Materials and ApplicationsMXene and MAX Phase MaterialsGa2O3 and related materials