Boron-pnictogen monolayers with a negative Poisson's ratio and excellent band edge positions for photocatalytic water splitting.

Boron-pnictogen (BX; X = N, P, As, Sb) materials, in most cases, share structural characteristics with the aesthetically pleasing architectures of carbon allotropes. Recently, a two-dimensional (2D) metallic carbon allotrope (biphenylene) has been synthesized using experimental methods. In the present study, we have examined the structural stabilities, mechanical properties, and electronic fingerprints of biphenylene analogs of boron-pnictogen (bp-BX) monolayers using state-of-the-art electronic structure theory. We have validated the dynamical stability using phonon band dispersion analysis and thermal stabilities using