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

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.

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Abstract

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.

Item Type:Conference or Workshop Item (Paper)
Keyword:Electric and magnetic properties; Geometric; Graphene
Faculty or Institute:Faculty of Science
Institute for Mathematical Research
Publisher:AIP Publishing LLC
DOI Number:10.1063/1.4866950
Altmetrics:http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1063/1.4866950
ID Code:57302
Deposited By: Nabilah Mustapa
Deposited On:26 Sep 2017 12:02
Last Modified:26 Sep 2017 12:02

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