Rich essential properties of silicon-substituted graphene nanoribbons: a comprehensive computational study
D.M. Hoat, Vo Khuong Dien, Quốc Duy Hồ, Dang Phuc Dam, Nguyễn Thành Tiên, Duy Khanh Nguyen
Abstract
hybridization in Si-C bonds, in which the identified hybridization mechanism was a strong evidence for the formation of stable planar 1D structures in the Si-substituted configurations. Our complete revelation of the essential properties of Si-substituted GNRs can provide a complete understanding of their chemically doped 1D materials for various practical applications.
Topics & Concepts
ZigzagGraphene nanoribbonsDensity functional theoryGrapheneMaterials scienceSiliconSpin (aerodynamics)Condensed matter physicsNanotechnologyComputational chemistryChemistryOptoelectronicsPhysicsThermodynamicsMathematicsGeometryGraphene research and applications2D Materials and ApplicationsAdvancements in Battery Materials