Please use this identifier to cite or link to this item:
https://doi.org/10.1021/cm052865n
Title: | Theoretical study on polyimide-Cu(100)/Ni(100) adhesion | Authors: | Zhang, J. Sullivan, M.B. Zheng, J.W. Loh, K.P. Wu, P. |
Issue Date: | 31-Oct-2006 | Citation: | Zhang, J., Sullivan, M.B., Zheng, J.W., Loh, K.P., Wu, P. (2006-10-31). Theoretical study on polyimide-Cu(100)/Ni(100) adhesion. Chemistry of Materials 18 (22) : 5312-5316. ScholarBank@NUS Repository. https://doi.org/10.1021/cm052865n | Abstract: | The interfacial properties of polyimide (PI)/M(100) (M = Cu and Ni) were investigated using density functional theory (DFT). A PMDA-ODA monomer unit was used to represent the full PI and the surface was represented by periodically repeated slabs. PI prefers the bridge and top sites on a Cu(100) surface but only forms weak C=O-Cu interactions. PI favors the bridge site on a Ni(100) surface and can form strong C-Ni, N-Ni, and C=O-Ni bonds. The adsorption energies of PI on Cu(100) and Ni(100) surfaces are -0.58 and -4.7 eV, respectively. Compared to the adsorption energies of O and O2 on a Cu(100) surface, the adsorption of PI on Cu(100) is not energetically favorable, which leads to the easy oxidation of Cu particles in a Cu/PI nanocomposite. The good adhesion at PI/Ni(100) suggests that Ni is a better candidate as a metal filler compared to Cu in the metal-polyimide composite. © 2006 American Chemical Society. | Source Title: | Chemistry of Materials | URI: | http://scholarbank.nus.edu.sg/handle/10635/95277 | ISSN: | 08974756 | DOI: | 10.1021/cm052865n |
Appears in Collections: | Staff Publications |
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