The Ultrahigh Quantum Thermal Conductance of Hydrogenated Boron Nanotubes

Abstract

Using first‐principles calculations and phonon dispersion analysis, the authors demonstrate theoretically that a hydrogenated monolayer borophene sheet can form a stable nanotube structure, denoted as H‐BNT. Combined with non‐equilibrium Green's function method, it is found that although thermal conductance of H‐BNT is lower than its carbon counterpart in the high‐temperature limit, at room temperature the phonon thermal conductance of H‐BNT is only slightly lower (2%) than carbon nanotube with the similar diameter. The high room temperature thermal conductance of boron nanotube is attributed to the light atomic mass of boron, strong interatomic force between boron atoms and high atomic density. Our studies shed light on the nature of quantum thermal transport in low‐dimensional materials, and can help in developing boron‐based nanoscale devices.