Zolyomi, V. and Rusznyak, A. and Koltai, J. and Kurti, J. and Lambert, C. J. (2010) Functionalization of graphene with transition metals. physica status solidi (b), 247 (11-12). pp. 2920-2923. ISSN 0370-1972
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Official URL: https://doi.org/10.1002/pssb.201000168
Abstract
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 results show that Mo, Hf, Ta, and W bind strongest to the graphene sheet. We find a charge transfer of ≈0.01 electrons per carbon atom from the transition metal to the graphene sheet.
Item Type:
Journal Article
Journal or Publication Title:
physica status solidi (b)
Additional Information:
24th International Winterschool on Electronic Properties of Novel Materials - Molecular Nanostructures (IWEPNM 2010), Tirol, AUSTRIA, MAR 06-13, 2010
Uncontrolled Keywords:
/dk/atira/pure/researchoutput/libraryofcongress/qc
Subjects:
?? ADSORPTIONBINDING ENERGY FUNCTIONALIZATION GRAPHENE TRANSITION METALSPHYSICSELECTRONIC, OPTICAL AND MAGNETIC MATERIALSCONDENSED MATTER PHYSICSQC PHYSICS ??
Departments:
ID Code:
55860
Deposited By:
Deposited On:
16 Jul 2012 09:21
Refereed?:
Yes
Published?:
Published
Last Modified:
20 Sep 2023 00:22