Molecular Dynamics Simulation of Isophthalate Tetracarboxylic Acids on Graphite Surface

Model systems are essential for expanding our understanding of how self-assembly work. Twoadsorbent was investigated on graphite: biphenyl tetracarboxylic acid (BPTC) and Quarterphenyl Tetracarboxylicacid (QPTC). This study is done with molecular dynamics (MD) simulations. These results help to elucidatemolecular behaviour on the graphite surface, and suggests significant similarities between adsorption BPTC andQPTC on the graphite surface

کلیدواژه ها:

Simulations molecular dynamics. ، Isophthalate Tetracarboxylic Acids ، Graphite surface