期刊
PHYSICAL REVIEW LETTERS
卷 92, 期 22, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.92.225502
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Using first-principles calculations we show that the adsorption of atomic hydrogen on graphene opens a substantial gap in the electronic density of states in which lies a spin-polarized gap state. This spin is quenched by the presence of a rotated C-C bond (a Stone-Wales defect) adjacent to or distant from the H atom. We explain these findings and discuss the implications for nanotubes and magnetic nanographene. Furthermore, we demonstrate that the combined effect of high curvature and a Stone-Wales defect makes H-2 chemisorption close to being thermodynamically favorable.
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