posted on 2024-05-06, 04:00authored byNi Li, Jing-Yi Qiu, Zhao Liu, Jing Wang, Ying Liu
The supplementary material provides details on the cutoff energy of two-dimensional h-B12, AIMD simulations, top and bottom views of a single B12 cluster, static dielectric constants of 2D h-B12 and 3D α-B, as well as molecular orbitals of the B12 cluster.