ZrB <sub>2</sub> as an earth-abundant metal diboride catalyst for electroreduction of dinitrogen to ammonia
ZrB2 как катализатор на основе землесодержащего диборида металла для электрохимического восстановления азота до аммиака
2020-01-01
SCID: 54.1/tup2skfn
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Faradaic efficiencyZrB2electroreduction of dinitrogenmetal diboride catalystnitrogen reduction reaction
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Abstract (AI)
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.
Key Findings
1
Calculations also show Zr centers suppress hydrogen evolution by restricting H+ adsorption, favoring NRR over HER.
2
Synthesized ZrB2 nanocubes achieve an NH3 yield of 37.7 μg h⁻¹ mg⁻¹ at -0.3 V (RHE).
3
Theoretical calculations indicate active Zr centers activate N2 via a unique tetranuclear side-on adsorption mode.
4
ZrB2 is introduced and experimentally demonstrated as an earth-abundant metal diboride catalyst for electrochemical nitrogen reduction reaction (NRR).
5
ZrB2 nanocubes reach a Faradaic efficiency of 18.2% for NRR at -0.3 V (RHE).
Research Object
ZrB2 nanocube catalyst for electrochemical nitrogen reduction
Research Subject
Catalytic activity and selectivity for the nitrogen reduction reaction (NH3 yield and Faradaic efficiency) and the atomic-scale mechanism (Zr active centers enabling tetranuclear side-on N2 activation and suppression of hydrogen evolution via restricted H+ adsorption)
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2020-01-01
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