PPS-metal adhesion: A density functional theory-based study
College of Science
Solid State Communications
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.
Digitial Object Identifier (DOI)
Roman, T., Diño, W., Nakanishi, H., Kasai, H., Miyako, Y., & Naritomi, M. (2004). PPS-metal adhesion: A density functional theory-based study. Solid State Communications, 132 (6), 405-408. https://doi.org/10.1016/j.ssc.2004.07.073
Metals; Adhesion; Polymers