作者
SS Akimenko, VA Gorbunov, AV Myshlyavtsev, PV Stishenko
发表日期
2016/6
期刊
Physical Review E
卷号
93
期号
6
页码范围
062804
出版商
American Physical Society
简介
A generalized lattice-gas model that takes into account the directional character of pair interactions between the lattice sites is proposed. It is demonstrated that the proposed model can be successfully used to deeply understand the self-assembly process in adsorption monolayers of functional organic molecules driven by specified directional interactions between such molecules (e.g., hydrogen bonding). To illustrate the idea, representative cases of the general model with different numbers of identical functional groups in the chemical structure of the adsorbed molecule are investigated with Monte Carlo and the transfer-matrix methods. The model reveals that the phase behavior of the adsorption systems considered can be characterized as a hierarchical self-assembly process. It is predicted that in real adsorption systems of this type, the energy of hydrogen bonding sufficiently depends on the mutual orientation of …
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