Thermal stability of surface-confined assemblies comprising functional cross-shaped molecules: Insights from Monte Carlo modeling
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- 作者：A. Kasperski ; P. Szabelski ; szabla@vega.umcs.lublin.pl" class="auth_mail" title="E-mail the corresponding author
- 关键词：Self-assembly ; Adsorption ; Chiral porous networks ; Monte Carlo simulations ; Functional molecules
- 刊名：Applied Surface Science
- 出版年：2017
- 出版时间：1 January 2017
- 年：2017
- 卷：391
- 期：part_PA
- 页码：12-17
- 全文大小：1161 K
文摘
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Monte Carlo simulations of adsorbed cruciform molecules were performed.
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Heat capacities were determined for molecules with different size and aspect ratio.
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Molecular symmetry was found to affect thermal stability of the assemblies.
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Molecules with higher symmetry produce more persistent networks.
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The proposed approach can help select the optimal building block.