Density functional theory driven phononic thermal conductivity prediction of biphenylene: A comparison with graphene

The thermal transport properties of biphenylene network (BPN), a novel sp2-hybridized two-dimensional allotrope carbon atoms recently realized in experiments [Fan et al., Science, 372 852–856 (2021)], are studied using the density functional theory-driven solution Boltzmann equation. BPN is anisotropic and obtained conductivities more than an order magnitude lower that graphene, despite similar planar-structure both allotropes. conductivity found to originate from enhanced anharmonicity which turn result reduced crystal symmetry BPN.