Tuning the structural, electronic, mechanical and optical properties of silicene monolayer by chemical functionalization: A first-principles study
Aida Bao, Xuechao Li, Xin Guo, Haiting Yao, Mengni Chen
Topics & Concepts
SiliceneMonolayerDensity functional theoryMaterials scienceSurface modificationBand gapChemical physicsNanotechnologyComputational chemistryChemistryOptoelectronicsPhysical chemistryGrapheneGraphene research and applicationsAdvanced Memory and Neural Computing2D Materials and Applications