Fig. 10: Transition metal borides for NRR.
From: Low-dimensional non-metal catalysts: principles for regulating p-orbital-dominated reactivity
a Crystal structures of Mo2B, α-MoB, and MoB2. b Charge density difference of end-on N2 adsorption on Mo2B. c PDOS and schematic illustrations of B orbitals of molybdenum borides, π*-orbitals of the N2 gas molecule, and their interactions with Mo2B. d Relationship between the filling of B pz-orbital and the adsorption energy of *NNH (a–d are reproduced with permission from ref. 286, Copyright© American Chemical Society 2020). e Structural prototypes of MBenes. f NRR onset potential vs. N2 adsorption energy and work function on MBenes (e, f are reproduced with permission from ref. 290, Copyright© The Royal Society of Chemistry 2020).
