Please use this identifier to cite or link to this item: https://doi.org/10.1021/cm052865n
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dc.titleTheoretical study on polyimide-Cu(100)/Ni(100) adhesion
dc.contributor.authorZhang, J.
dc.contributor.authorSullivan, M.B.
dc.contributor.authorZheng, J.W.
dc.contributor.authorLoh, K.P.
dc.contributor.authorWu, P.
dc.date.accessioned2014-10-16T08:45:56Z
dc.date.available2014-10-16T08:45:56Z
dc.date.issued2006-10-31
dc.identifier.citationZhang, 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
dc.identifier.issn08974756
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/95277
dc.description.abstractThe 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.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/cm052865n
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.description.doi10.1021/cm052865n
dc.description.sourcetitleChemistry of Materials
dc.description.volume18
dc.description.issue22
dc.description.page5312-5316
dc.description.codenCMATE
dc.identifier.isiut000241492900027
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