Metal diffusion model in polymer matrices in vapor phase infiltration

Metal induction into polymers is an emerging technology that could add inorganic characteristics to organic polymers. The organo-metal precursors dissolve into a polymer matrix from the surface to diffuse throughout the film thickness. In this article, the diffusion of the trimethylaluminum (TMA) in three kinds of polymers; poly(methyl methacrylate) (PMMA), poly(4-vinylpyridine) (P4VP) and poly(N-isopropylacrylamide) (PNIPAM) is discussed. TMA diffusiveness in each polymer was estimated by measuring the depth-profiles of aluminum distribution in the polymer film by X-ray photoelectron spectroscopy. TMA diffusions in each polymer were compared with the coordination energies of TMA to each polymer that were calculated by density functional theory (DFT). The diffusions were shown to be inversely correlated to the absolute value of coordination energy.