Heat transport properties of novel carbon monolayer (net-Y): a comparative study with graphene

Abstract

With the rapid development of material preparation and quantum computation technologies, the discovery of superior electronic devices in the nanoscale has been widely facilitated. For materials for application in thermoelectric and thermal conductivity devices, their overall performance can be demonstrated by their inner heat transport efficiency. Thus, fundamental elucidation of the heat transport mechanism within low-dimensional materials with physical insight, is of great significance for novel electric device development. In addition, theoretical clarification can also help with the efficient control of the developed thermal devices, and furthermore, provide strategies to improve the efficiency of heat conversion. In this study, we focus on a novel carbon monolayer (net-Y) that is composed of sp² hybridized C atoms, we systematically assess its practical applicability in electronic device design by conducting first-principles calculations. Furthermore, to obtain in-depth understanding of the factors that determine its heat transport efficiency, its mechanical and phonon spectrum related properties were also investigated. Through a comparative study with graphene, the heat transport mechanism of net-Y was successfully summarized; the methodology and theoretical findings presented in this study could provide an instructive reference for future experimental work.