| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7833442 | Applied Surface Science | 2018 | 33 Pages |
Abstract
The binding energy, deformation energy, and formation energy were calculated for GO structures as a function of OH groups with different O/C ratios using molecular dynamics (MD) simulation. The MD results showed that the GO with higher O/C and less OH groups has lower binding energy. This theoretical result confirmed the experimental data that GO-U20 has more chance to attach oxygen-containing functional groups than that of GO-U50.
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Authors
A. Esmaeili, M.H. Entezari, E.K. Goharshadi,