Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface

We investigate oxygen dissociative adsorption to a platinum monolayer on Ni(110) surface (Pt/Ni(110))by density functional theory. We have shown that the activation barrier on Pt/Ni(110) is lower than that on a clean Pt(001) surface. This may be due to the effect of magnetization of Pt surface. The...

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Main Authors:	Rahman, Md. Mamudur, Muhida, Rifki, Chowdhury, Md. Sazzad Hossien, Zainuddin, Hishamuddin, Zakaria, Azmi, Kasai, Hideaki
Format:	Article
Language:	English
Published:	Elsevier B.V. 2011
Subjects:	QC Physics
Online Access:	http://irep.iium.edu.my/9452/ http://irep.iium.edu.my/9452/ http://irep.iium.edu.my/9452/1/CAP2770_proof.pdf

id	iium-9452
recordtype	eprints
spelling	iium-94522013-01-13T13:00:39Z http://irep.iium.edu.my/9452/ Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki QC Physics We investigate oxygen dissociative adsorption to a platinum monolayer on Ni(110) surface (Pt/Ni(110))by density functional theory. We have shown that the activation barrier on Pt/Ni(110) is lower than that on a clean Pt(001) surface. This may be due to the effect of magnetization of Pt surface. The reason of decrease of activation barrier can be attributed to the flow of electrons from oxygen to platinum surface because the d orbitals have spin polarization at the Fermi level where the down spin d orbitals are unoccupied. Elsevier B.V. 2011-11-29 Article PeerReviewed application/pdf en http://irep.iium.edu.my/9452/1/CAP2770_proof.pdf Rahman, Md. Mamudur and Muhida, Rifki and Chowdhury, Md. Sazzad Hossien and Zainuddin, Hishamuddin and Zakaria, Azmi and Kasai, Hideaki (2011) Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface. Current Applied Physics. ISSN 1567-1739 (In Press) doi:10.1016/j.cap.2011.11.00.08
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 Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface
description	We investigate oxygen dissociative adsorption to a platinum monolayer on Ni(110) surface (Pt/Ni(110))by density functional theory. We have shown that the activation barrier on Pt/Ni(110) is lower than that on a clean Pt(001) surface. This may be due to the effect of magnetization of Pt surface. The reason of decrease of activation barrier can be attributed to the flow of electrons from oxygen to platinum surface because the d orbitals have spin polarization at the Fermi level where the down spin d orbitals are unoccupied.
format	Article
author	Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki
author_facet	Rahman, Md. Mamudur Muhida, Rifki Chowdhury, Md. Sazzad Hossien Zainuddin, Hishamuddin Zakaria, Azmi Kasai, Hideaki
author_sort	Rahman, Md. Mamudur
title	Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface
title_short	Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface
title_full	Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface
title_fullStr	Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface
title_full_unstemmed	Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface
title_sort	theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on ni(110) surface
publisher	Elsevier B.V.
publishDate	2011
url	http://irep.iium.edu.my/9452/ http://irep.iium.edu.my/9452/ http://irep.iium.edu.my/9452/1/CAP2770_proof.pdf
first_indexed	2023-09-18T20:19:09Z
last_indexed	2023-09-18T20:19:09Z
_version_	1777407989227978752

Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface

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