Title

PPS-metal adhesion: A density functional theory-based study

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Solid State Communications

Volume

132

Issue

6

First Page

405

Last Page

408

Publication Date

11-1-2004

Abstract

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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Digitial Object Identifier (DOI)

10.1016/j.ssc.2004.07.073

Disciplines

Physics

Keywords

Metals; Adhesion; Polymers

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