Paper Title
Insight into Interfacial Thermal Behavior in BC3-BN Layered Structures

Abstract
Understanding heat transport in nano devices is essential for ensuring their efficiency and durability, especially given the risk of overheating in hetero structures used in nano electronics and data storage. This study presents a semiconductor model with tunable properties by combining BC3 and BN nano layers into van der Waals hetero structures. Through non equilibrium molecular dynamics (NEMD) simulations, we investigated in-plane phonon-driven thermal transport, assessing interfacial thermal resistance (ITR), interfacial thermal conductivity (ITC), temperature discontinuity (∆T), and thermal rectification and further examined the effect of heat direction on thermal properties. Our findings indicate that the ITC of BC3-BN hetero structures ranges from 4.91 to 5.36 GW/m²•K, with a preferential heat flow from BC3 to BN. Keywords - NEMD, Thermal conductivity, h-BN, BC3, Hetero structure