ArticleACS applied materials & interfaces2025
Interfacial Thermal Transport of Gold Surfaces Coated with Heterogeneous Monolayers in a Binary Solvent.
Article in ACS applied materials & interfaces, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Gold nanoparticles play a key role in thermoplasmonics due to their efficient light-to-heat conversion and their potential for chemical group functionalization. In this study, we investigate the interfacial thermal transport properties of gold surfaces coated with heterogeneous layers in contact with ethanol-water cosolvents commonly used in catalysis. By employing nonequilibrium molecular dynamics simulations, we quantify the thermal transport characteristics of water-ethanol mixtures at relevant experimental concentrations. Our simulations show excellent agreement with experimental Soret coefficients and reveal that ethanol tends to accumulate in the hot regions at experimentally relevant ethanol-water weight fractions. However, the composition of the solvent layers in contact with the hot gold surfaces is primarily influenced by the interfacial interactions between the substrate and solvent. We examine the interfacial thermal conductance of gold surfaces coated with self-assembled monolayers, including hexanethiol (hydrophobic), mercaptohexanol (hydrophilic), and catalytic units designed to offer an immobilized form of PdCl
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