PPS-metal adhesion: A density functional theory-based study
We investigate the adhesion of poly (phenylene sulfide) (PPS) on aluminum, copper, silver and gold through simulations involving PPS monomers and single metal atoms. Density functional theory based-total energy calculation results show that PPS binds best to aluminum through the sulfur end of the mo...
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2004
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oai:animorepository.dlsu.edu.ph:faculty_research-22342022-05-11T03:21:44Z PPS-metal adhesion: A density functional theory-based study Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Miyako, Yoshihito Naritomi, Masanori We investigate the adhesion of poly (phenylene sulfide) (PPS) on aluminum, copper, silver and gold through simulations involving PPS monomers and single metal atoms. Density functional theory based-total energy calculation results show that PPS binds best to aluminum through the sulfur end of the monomer. Although adhesion to copper is strongest in the other two schemes examined, the energy curves suggest that these may not proceed directly. The models involving silver in general showed the least affinity for PPS adhesion. © 2004 Elsevier Ltd. All rights reserved. 2004-11-01T08:00:00Z text text/html https://animorepository.dlsu.edu.ph/faculty_research/1235 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2234/type/native/viewcontent Faculty Research Work Animo Repository Metals Adhesion Polymers Physics |
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Metals Adhesion Polymers Physics |
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Metals Adhesion Polymers Physics Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Miyako, Yoshihito Naritomi, Masanori PPS-metal adhesion: A density functional theory-based study |
| description |
We investigate the adhesion of poly (phenylene sulfide) (PPS) on aluminum, copper, silver and gold through simulations involving PPS monomers and single metal atoms. Density functional theory based-total energy calculation results show that PPS binds best to aluminum through the sulfur end of the monomer. Although adhesion to copper is strongest in the other two schemes examined, the energy curves suggest that these may not proceed directly. The models involving silver in general showed the least affinity for PPS adhesion. © 2004 Elsevier Ltd. All rights reserved. |
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text |
| author |
Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Miyako, Yoshihito Naritomi, Masanori |
| author_facet |
Roman, Tanglaw Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Miyako, Yoshihito Naritomi, Masanori |
| author_sort |
Roman, Tanglaw |
| title |
PPS-metal adhesion: A density functional theory-based study |
| title_short |
PPS-metal adhesion: A density functional theory-based study |
| title_full |
PPS-metal adhesion: A density functional theory-based study |
| title_fullStr |
PPS-metal adhesion: A density functional theory-based study |
| title_full_unstemmed |
PPS-metal adhesion: A density functional theory-based study |
| title_sort |
pps-metal adhesion: a density functional theory-based study |
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Animo Repository |
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2004 |
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https://animorepository.dlsu.edu.ph/faculty_research/1235 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2234/type/native/viewcontent |
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