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Geometrical and magnetic properties of vanadium clusters supported on graphene

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Abstract

We report ab-initio calculations of vanadium-cluster V n (n = 2–5) adsorption on graphene sheets. Geometrical and magnetic properties of various adsorption configurations are studied using first-principles density-functional theory with the generalized gradient approximation. The geometrical and magnetic properties of vanadium clusters are found to be size-dependent, and the supported graphene sheet could influence the formation of the vanadium clusters. Low-dimensional V n cluster configurations could be easily formed when they are absorbed on a graphene sheet, and the combined V n -graphene systems exhibit a nonmagnetic state, which is the most stable magnetic configuration. Our calculations for the geometrical and the magnetic moment properties of V n -graphene systems may be of interest for some nanotechnological applications.

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Authors and Affiliations

  1. Key Laboratory of Radiation Physics and Technology of Education Ministry of China, Institute of Nuclear Science and Technology, Sichuan University, Chengdu, 610064, China

    Yu Zou, Chang-Yong Zhan & Jian-Chun Wu

  2. Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou, 215006, China

    Li-Ping Zhou & Hai-Xia Da

Authors
  1. Yu Zou
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  2. Chang-Yong Zhan
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  3. Jian-Chun Wu
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  4. Li-Ping Zhou
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  5. Hai-Xia Da
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Correspondence to Jian-Chun Wu.

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Zou, Y., Zhan, CY., Wu, JC. et al. Geometrical and magnetic properties of vanadium clusters supported on graphene. Journal of the Korean Physical Society 63, 225–228 (2013). https://doi.org/10.3938/jkps.63.225

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  • DOI: https://doi.org/10.3938/jkps.63.225

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