Structural, electronic and catalytic performance of single-atom Fe anchored 3Si-doped graphene
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DOI: 10.1080/00268976.2019.1580783
Abstract: By density functional theory (DFT) calculations, it is found that the single-atom Fe anchored three Si modified defective graphene (3Si-graphene-Fe) exhibits the high stability, and this system is semiconducting property and has non-magnetic moment. Besides… read more here.
Keywords: structural electronic; graphene; atom anchored; single atom ... See more keywords