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Keyword: Dimer

Formulation of atomic positions and carbon–carbon bond length in armchair graphene nanoribbons: an ab initio study

AbstractIn this paper, we investigate the atomic positions of single layer armchair graphene nanoribbon for two cases, with and without hydrogen-passivate edges, accurately and propose a formula which either removes the need of structural relaxation generally or decreases its time extremely (up to seven times). We also propose a general pattern (hyperbolic) for these positions. On […]