▎ 摘 要
We study the strength of the binding of 4d and 5d transition metals on a graphene sheet in the limit of low- and high-coverage using first principles density functional theory. A database of the binding energies is presented. Our result show that Mo, Hf, Ta, and W bind strongest to the graphene sheet. We find a charge transfer of approximate to 0.01 electrons; per carbon atom from the transition metal to the graphene sheet. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim