The temperature effect on the adsorption behavior and the dynamic behavior of TCMB 2D network structure on the Au(111) substrate has been investigated. From the calculation of the adsorbed energy between the molecule and the Au(111) substrate, it can be found that there are significant changes in adsorbed energy as the temperature increase; moreover, different migration features are appeared at different specific temperature, owing to the deformation of the 2D network structure changed. The mean square displacement (MSD) and diffusion coefficient are calculated to study the migration property and dynamical behavior of 2D TCMB networks at specific temperatures.
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| http://dx.doi.org/10.1166/jnn.2009.c047 | DOI Listing |
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