Two-dimensional ice affects thermal transport at the graphene-water microscopic interface

As electronic devices continue to undergo miniaturization, the concomitant reduction in the size of semiconductor components presents significant challenges for thermal management at interfaces. Numerous studies have underscored graphene as an auspicious material for enhancing heat dissipation within integrated circuits, attributed primarily to its superior thermal conductivity. We have employed a molecular dynamics approach to examine the influence of various charge distributions on the thermal transport properties at the graphene-water interface. Specifically, this study explores how modifications in charge distribution at the interface impact thermal conductivity. The results show that comparing the interfacial graphene sheet modified with charge to the case without charge modification, the Kapitza resistance is significantly lower. In addition, the temperature difference at the graphene-water interface is smaller as the charge increases, and the thermal transport at the interface is easier. When the charge strengths of the modifications are the same, the thermal resistance of the diagonal distribution is smaller than that of the filled modification, and part of the reason for the ease of heat transport is due to the increase in interfacial mutual strength due to Coulomb forces. The other main reason is that when the charge reaches a certain strength (q = 0.8 e), an ordered water layer is created near the charge-modified graphene interface. Our study provides a method for designing solid-liquid interfacial heat transport properties by controlling and regulating the liquid stratification at the interface. (c) 2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license(https://creativecommons.org/licenses/by/4.0/).