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, Muhida, Riza, Zainuddin, Hishamuddin, Zakaria, Azmi, Kasai, Hideaki
Format:	Article
Language:	English
Published:	American Scientific Publishers 2011
Subjects:	QC Physics
Online Access:	http://irep.iium.edu.my/9487/ http://irep.iium.edu.my/9487/ http://irep.iium.edu.my/9487/1/BenVAu-Rahman-Manus-ref-fig.pdf

id	iium-9487
recordtype	eprints
spelling	iium-94872013-01-13T12:46:09Z http://irep.iium.edu.my/9487/ Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Muhida, Riza 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 2011-08-09 Article PeerReviewed application/pdf en http://irep.iium.edu.my/9487/1/BenVAu-Rahman-Manus-ref-fig.pdf Rahman, Md. Mamudur and Muhida, Rifki and Chowdhury, Md. Sazzad Hossien and Muhida, Riza and Zainuddin, Hishamuddin and Zakaria, Azmi and Kasai, Hideaki (2011) Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface. Journal of Computational and Theoretical Nanoscience. ISSN 1546-1955 (P) 1546-1963 (O) (In Press) http://www.aspbs.com/ctn/
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	QC Physics
spellingShingle	QC Physics Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Muhida, Riza 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 Muhida, Riza Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki
author_facet	Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Muhida, Riza 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	2011
url	http://irep.iium.edu.my/9487/ http://irep.iium.edu.my/9487/ http://irep.iium.edu.my/9487/1/BenVAu-Rahman-Manus-ref-fig.pdf
first_indexed	2023-09-18T20:19:10Z
last_indexed	2023-09-18T20:19:10Z
_version_	1777407990527164416

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

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