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...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| 格式: | text |
| 出版: |
Animo Repository
2004
|
| 主題: | |
| 在線閱讀: | https://animorepository.dlsu.edu.ph/faculty_research/1235 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2234/type/native/viewcontent |
| 標簽: |
添加標簽
沒有標簽, 成為第一個標記此記錄!
|
| 總結: | 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. |
|---|