Journal
CHEMICAL COMMUNICATIONS
Volume 56, Issue 85, Pages 13009-13012Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0cc05853j
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Funding
- Feitian Scholar'' Program of Gansu Province
- CAS Light of West China'' Program
- Foundation of A Hundred Youth Talents Training Program of Lanzhou Jiaotong University
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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 mu g 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 N-2 molecule via a unique tetranuclear side-on mode and concurrently impeded hydrogen evolution by restricting H+ adsorption.
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