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Temperature Effect on the Dynamic Behavior of Tricarboxylic Acid Derivatives in Two-Dimensional Network Structures

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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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Keywords: MOLECULAR DYNAMICS; PHYSISORPTION; TRICARBOXYLIC ACID DERIVATIVES; TWO-DIMENSIONAL NETWORK

Document Type: Research Article

Publication date: February 1, 2009

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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