Please use this identifier to cite or link to this item:
|Title:||Theoretical study on polyimide-Cu(100)/Ni(100) adhesion|
|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|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Nov 13, 2018
WEB OF SCIENCETM
checked on Nov 7, 2018
checked on Nov 2, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.