“…Recent studies, such as those by Jinxing et al , 39 have demonstrated the promising potential of anti-MXenes in catalytic applications. Additionally, Jiawei et al 40 have investigated three anti-MXene borides (FeB, CoB, and IrB) and highlighted their strong correlation effects and magnetic properties, further underscoring their relevance and importance in the field of materials science. In this investigation, we methodically explore the NRR catalysis capabilities of anti-MXene borides (TMBs), postulating that the encapsulation of transition metals by boron layers substantially contributes to the activation process in the NRR.…”