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Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface

We investigate the formation and magnetic properties of benzene-vanadium multipledecked sandwich chain on Au(111) surface using first principles calculations based on density functional theory. We show that in the formation of the chain on the surface, each of the two hydrogen atoms of benzene bond...

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Main Authors: Rahman, Md. Mamudur, Muhida, Rifki, Chowdhury, Md. Sazzad Hossien, Setiyanto, Henry, Zainuddin, Hishamuddin, Zakaria, Azmi, Kasai, Hideaki
Format: Article
Language:English
Published: American Scientific Publishers 2012
Subjects:
QC Physics
Online Access:http://irep.iium.edu.my/28506/1/
http://irep.iium.edu.my/28506/
http://www.aspbs.com/ctn/
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spelling my.iium.irep.285062013-02-13T13:06:16Z http://irep.iium.edu.my/28506/ Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Setiyanto, Henry Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki QC Physics We investigate the formation and magnetic properties of benzene-vanadium multipledecked sandwich chain on Au(111) surface using first principles calculations based on density functional theory. We show that in the formation of the chain on the surface, each of the two hydrogen atoms of benzene bonds with only one gold atom, while the carbon and vanadium atoms do not contribute to bonding. We find that this system has no magnetic moment where two vanadium atoms are antiferromagnetically arranged, for which we suggest a superexchange interaction mechanism. American Scientific Publishers 2012 Article REM application/pdf en http://irep.iium.edu.my/28506/1/ Rahman, Md. Mamudur and Muhida, Rifki and Chowdhury, Md. Sazzad Hossien and Setiyanto, Henry and Zainuddin, Hishamuddin and Zakaria, Azmi and Kasai, Hideaki (2012) Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface. Journal of Computational and Theoretical Nanoscience, 9 (8). pp. 1063-1066. ISSN 1546-1955 (P) 1546-1963 (O) http://www.aspbs.com/ctn/ doi:10.1166/jctn.2012.2143
institution Universiti Islam Antarabangsa Malaysia
building IIUM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider International Islamic University Malaysia
content_source IIUM Repository (IREP)
url_provider http://irep.iium.edu.my/
language English
topic QC Physics
spellingShingle QC Physics
Rahman, Md. Mamudur
Muhida, Rifki
Chowdhury, Md. Sazzad Hossien
Setiyanto, Henry
Zainuddin, Hishamuddin
Zakaria, Azmi
Kasai, Hideaki
Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
description We investigate the formation and magnetic properties of benzene-vanadium multipledecked sandwich chain on Au(111) surface using first principles calculations based on density functional theory. We show that in the formation of the chain on the surface, each of the two hydrogen atoms of benzene bonds with only one gold atom, while the carbon and vanadium atoms do not contribute to bonding. We find that this system has no magnetic moment where two vanadium atoms are antiferromagnetically arranged, for which we suggest a superexchange interaction mechanism.
format Article
author Rahman, Md. Mamudur
Muhida, Rifki
Chowdhury, Md. Sazzad Hossien
Setiyanto, Henry
Zainuddin, Hishamuddin
Zakaria, Azmi
Kasai, Hideaki
author_facet Rahman, Md. Mamudur
Muhida, Rifki
Chowdhury, Md. Sazzad Hossien
Setiyanto, Henry
Zainuddin, Hishamuddin
Zakaria, Azmi
Kasai, Hideaki
author_sort Rahman, Md. Mamudur
title Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
title_short Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
title_full Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
title_fullStr Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
title_full_unstemmed Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
title_sort theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
publisher American Scientific Publishers
publishDate 2012
url http://irep.iium.edu.my/28506/1/
http://irep.iium.edu.my/28506/
http://www.aspbs.com/ctn/
_version_ 1643609513207529472
score 13.244367

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