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Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface
The electronic properties of vanadium atoms adsorbed on clean and graphene-covered Cu(111) surface have been systematically studied using ab initio theoretical method. Two coverages (1/9 ML and 1 ML) of vanadium adsorption are considered in this work. Our calculations indicate that V staying underne...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer US
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6033845/ https://www.ncbi.nlm.nih.gov/pubmed/29978266 http://dx.doi.org/10.1186/s11671-018-2605-3 |
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author | Xu, Yi-Xu Cao, Xin-Rui Xu, Lin-Han Zhang, Jian-Hua Wu, Shun-Qing Zhu, Zi-Zhong |
author_facet | Xu, Yi-Xu Cao, Xin-Rui Xu, Lin-Han Zhang, Jian-Hua Wu, Shun-Qing Zhu, Zi-Zhong |
author_sort | Xu, Yi-Xu |
collection | PubMed |
description | The electronic properties of vanadium atoms adsorbed on clean and graphene-covered Cu(111) surface have been systematically studied using ab initio theoretical method. Two coverages (1/9 ML and 1 ML) of vanadium adsorption are considered in this work. Our calculations indicate that V staying underneath the Cu surface is found to be the most stable adsorption site at the aforementioned two coverages for V/Cu(111). However, such adsorption may lead to undesired properties. Therefore, we introduce graphene as a buffer layer to effectively alleviate the direct interaction between V and Cu surface. The calculations show that electronic properties of the original graphene layer are significantly affected by the interactions of C atoms with the V adatoms; the Dirac point of graphene is “destroyed” as a consequence at both coverages. In the V/Gra/Cu(111) system, the interaction between graphene layer and the substrate Cu atoms remains weak as in the Gra/Cu(111) system. Moreover, a relatively low coverage of 1/9 ML gives rise to a spin-polarized system while a non-spin-polarized system is observed at the coverage of 1 ML. This finding offers a new way for the application of vanadium-based materials in reality. |
format | Online Article Text |
id | pubmed-6033845 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Springer US |
record_format | MEDLINE/PubMed |
spelling | pubmed-60338452018-07-24 Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface Xu, Yi-Xu Cao, Xin-Rui Xu, Lin-Han Zhang, Jian-Hua Wu, Shun-Qing Zhu, Zi-Zhong Nanoscale Res Lett Nano Express The electronic properties of vanadium atoms adsorbed on clean and graphene-covered Cu(111) surface have been systematically studied using ab initio theoretical method. Two coverages (1/9 ML and 1 ML) of vanadium adsorption are considered in this work. Our calculations indicate that V staying underneath the Cu surface is found to be the most stable adsorption site at the aforementioned two coverages for V/Cu(111). However, such adsorption may lead to undesired properties. Therefore, we introduce graphene as a buffer layer to effectively alleviate the direct interaction between V and Cu surface. The calculations show that electronic properties of the original graphene layer are significantly affected by the interactions of C atoms with the V adatoms; the Dirac point of graphene is “destroyed” as a consequence at both coverages. In the V/Gra/Cu(111) system, the interaction between graphene layer and the substrate Cu atoms remains weak as in the Gra/Cu(111) system. Moreover, a relatively low coverage of 1/9 ML gives rise to a spin-polarized system while a non-spin-polarized system is observed at the coverage of 1 ML. This finding offers a new way for the application of vanadium-based materials in reality. Springer US 2018-07-06 /pmc/articles/PMC6033845/ /pubmed/29978266 http://dx.doi.org/10.1186/s11671-018-2605-3 Text en © The Author(s). 2018 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. |
spellingShingle | Nano Express Xu, Yi-Xu Cao, Xin-Rui Xu, Lin-Han Zhang, Jian-Hua Wu, Shun-Qing Zhu, Zi-Zhong Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface |
title | Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface |
title_full | Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface |
title_fullStr | Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface |
title_full_unstemmed | Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface |
title_short | Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface |
title_sort | electronic properties of vanadium atoms adsorption on clean and graphene-covered cu(111) surface |
topic | Nano Express |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6033845/ https://www.ncbi.nlm.nih.gov/pubmed/29978266 http://dx.doi.org/10.1186/s11671-018-2605-3 |
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