Thermal stability of surface-confined assemblies comprising functional cross-shaped molecules: Insights from Monte Carlo modeling
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文摘

Monte Carlo simulations of adsorbed cruciform molecules were performed.

Heat capacities were determined for molecules with different size and aspect ratio.

Molecular symmetry was found to affect thermal stability of the assemblies.

Molecules with higher symmetry produce more persistent networks.

The proposed approach can help select the optimal building block.

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