Abstract:The electronic transport properties of zigzag graphene nanoribbons (ZGNRs) through covalent functionalization of gold (Au) atoms is investigated by using non-equilibrium Green's function combined with density functional theory. It is revealed that the electronic properties of Au-doped ZGNRs vary significantly due to spin and its non-inclusion. We find that the DOS profiles of Auadsorbed ZGNR due to spin reveal very less number of states available for conduction, whereas non-inclusion of spin results in higher … Show more
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