Li Qingqing, Cheng Yonghua, Li Xiaotian, Guo Yali, Chu Ke
School of Materials Science and Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China.
Chem Commun (Camb). 2020 Oct 27;56(85):13009-13012. doi: 10.1039/d0cc05853j.
ZrB2 is first explored as an earth-abundant metal diboride catalyst for highly efficient nitrogen reduction reaction (NRR). The synthesized ZrB2 nanocubes exhibited a highly attractive NRR performance with an NH3 yield of 37.7 μg h-1 mg-1 and a Faradaic efficiency 18.2% at -0.3 V (RHE). Theoretical calculations unraveled that active Zr centers enabled the effective activation of the N2 molecule via a unique tetranuclear side-on mode and concurrently impeded hydrogen evolution by restricting H+ adsorption.
ZrB2首次被探索作为一种储量丰富的金属硼化物催化剂用于高效氮还原反应（NRR）。合成的ZrB2纳米立方体表现出极具吸引力的NRR性能，在-0.3 V（相对于可逆氢电极）时氨产率为37.7 μg h-1 mg-1，法拉第效率为18.2%。理论计算表明，活性Zr中心能够通过独特的四核侧接模式有效活化N2分子，同时通过限制H+吸附来抑制析氢反应。
