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First-principle study of geometric stabilities, electronic and magnetic properties of low coverage vanadium adsorption on graphene


Citation

Abdullahi, Yusuf Zuntu and Rahman, Md. Mahmudur and Zainuddin, Hishamuddin and Abubakar, Shamsu (2013) First-principle study of geometric stabilities, electronic and magnetic properties of low coverage vanadium adsorption on graphene. In: 4th International Meeting on Frontiers in Physics (IMFP 2013), 27-30 Aug. 2013, Kuala Lumpur, Malaysia. (pp. 225-229).

Abstract / Synopsis

Stable geometries, electronic and magnetic properties of low coverage vanadium (V) atoms adsorption on graphene sheet have been investigated by first principles calculations, using generalized gradient approximation. Calculation shows that center of the ring is energetically favorable for both V adatom and perpendicular dimer after relaxation. Moreover, the proportion of orbital contribution of C-V bonding are mainly dominated by 2pz orbital of C and partially occupied by the 3d like states of V. It is also found that the low coverage V atom adsorbed graphene system is metallic and magnetic, and has demonstrated additional hint on its usefulness in magnetic devices.


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Additional Metadata

Item Type: Conference or Workshop Item (Paper)
Divisions: Faculty of Science
Institute for Mathematical Research
DOI Number: https://doi.org/10.1063/1.4866950
Publisher: AIP Publishing LLC
Keywords: Electric and magnetic properties; Geometric; Graphene
Depositing User: Nabilah Mustapa
Date Deposited: 26 Sep 2017 04:02
Last Modified: 26 Sep 2017 04:02
Altmetrics: http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1063/1.4866950
URI: http://psasir.upm.edu.my/id/eprint/57302
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