Interfacial Thermal Transport of Gold Surfaces Coated with Heterogeneous Monolayers in a Binary Solvent.

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 h

SUBMITTER: Deshmukh A 

PROVIDER: S-EPMC12492324 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature