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aluminium dodecaboride is a superhard chemical compound with 17% aluminium content by weight and belongs to the aluminium-boron system. It has a wide range of applications due to its high hardness and non-compressible properties. It is widely used in abrasive and grinding material to replace diamond or corundum.
AlB12, as a superhard material, has been extensively investigated by researchers in the field of ceramics and other industries, and its application is expected to grow significantly. In particular, it is expected to be used as a radiation shielding material in military.
Moreover, AlB12 is also an important candidate for the N2 reduction reaction (NRR). The ternary transition metal aluminum borides are the major single crystal phases of MoAlB, and their catalytic performance is excellent for NH3 production (Faradaic efficiency: 30.1%), a highly selective N2 affinity, and high chemical stability and sustained catalytic performance.
This work aimed to study the role of MoAlB single crystals in N2 reduction reaction under ambient and alkaline conditions using self-propagating high-temperature synthesis (SHS). Electrochemical NRR studies revealed that MoAlB SCs exhibit a low applied potential (- 0.05 V versus RHE) and NH3 yield (9.2 ug h-1 cm-2 mg -1cat). Its high chemical stability and sustained catalytic performance could be attributed to the strong binding between N and B or Al. The N2 adsorption and subsequent accumulation on MoAlB SCs is accompanied by the strong interaction between the N 2p band and the boron/aluminium 2p orbitals, which results in the reduction of N2 to NH3 gradually.