Polybutylene terephthalate on metals: A density functional theory and cluster models investigation

The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable...

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Main Authors:	David, Melanie, Roman, Tanglaw, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki, Ando, Naoki, Naritomi, Masanori
Format:	text
Published:	Animo Repository 2006
Subjects:	Aluminum Binding energy Esters Gold Monomers Polybutenes Density functionals Physics
Online Access:	https://animorepository.dlsu.edu.ph/faculty_research/3802 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4804/type/native/viewcontent/002.html
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Institution:	De La Salle University

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spelling	oai:animorepository.dlsu.edu.ph:faculty_research-48042022-05-12T07:29:18Z Polybutylene terephthalate on metals: A density functional theory and cluster models investigation David, Melanie Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Ando, Naoki Naritomi, Masanori The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180° to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated. © 2006 IOP Publishing Ltd. 2006-02-01T08:00:00Z text text/html https://animorepository.dlsu.edu.ph/faculty_research/3802 info:doi/10.1088/0953-8984/18/4/002 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4804/type/native/viewcontent/002.html Faculty Research Work Animo Repository Aluminum Binding energy Esters Gold Monomers Polybutenes Density functionals Physics
institution	De La Salle University
building	De La Salle University Library
continent	Asia
country	Philippines Philippines
content_provider	De La Salle University Library
collection	DLSU Institutional Repository
topic	Aluminum Binding energy Esters Gold Monomers Polybutenes Density functionals Physics
spellingShingle	Aluminum Binding energy Esters Gold Monomers Polybutenes Density functionals Physics David, Melanie Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Ando, Naoki Naritomi, Masanori Polybutylene terephthalate on metals: A density functional theory and cluster models investigation
description	The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180° to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated. © 2006 IOP Publishing Ltd.
format	text
author	David, Melanie Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Ando, Naoki Naritomi, Masanori
author_facet	David, Melanie Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Ando, Naoki Naritomi, Masanori
author_sort	David, Melanie
title	Polybutylene terephthalate on metals: A density functional theory and cluster models investigation
title_short	Polybutylene terephthalate on metals: A density functional theory and cluster models investigation
title_full	Polybutylene terephthalate on metals: A density functional theory and cluster models investigation
title_fullStr	Polybutylene terephthalate on metals: A density functional theory and cluster models investigation
title_full_unstemmed	Polybutylene terephthalate on metals: A density functional theory and cluster models investigation
title_sort	polybutylene terephthalate on metals: a density functional theory and cluster models investigation
publisher	Animo Repository
publishDate	2006
url	https://animorepository.dlsu.edu.ph/faculty_research/3802 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4804/type/native/viewcontent/002.html
_version_	1767195980469370880

Polybutylene terephthalate on metals: A density functional theory and cluster models investigation

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