[H937-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

10:20 AM - 10:30 AM JST(1:20 AM - 1:30 AM UTC)Japanese

[H937-2am-03] Enhanced adhesion of silane-treated aluminum and amine-cured epoxy resin originating from H2O-assisted proton transfer: a first-principles simulation study

○Shuji Ogata¹, Yuki Nakamura¹, Shintaro Yamamoto², Yusuke Takahashi², Takayuki Miyamae³ (1. Nagoya Institute of Technology, 2. Kobe Steel, 3. Chiba Univ.)

Keywords:

Adhesion,DFT,Proton Transfer,First-princiles Molecular Dynamis Simulation,Resin