In:
Angewandte Chemie, Wiley, Vol. 132, No. 40 ( 2020-09-28), p. 17641-17646
Abstract:
A group of newly reported antiperovskite nitrides Cu x In 1− x NNi 3 (0≤ x ≤1) with tunable composition are employed as electrocatalysts for the hydrogen evolution reaction (HER). Cu 0.4 In 0.6 NNi 3 shows the highest intrinsic performance among all developed catalysts with an overpotential of merely 42 mV at 10 mA cm geo −2 . Stability tests at a high current density of 100 mA cm geo −2 show its super‐stable performance with only 7 mV increase in overpotential after more than 60 hours of measurement, surpassing commercial Pt/C (increase of 170 mV). By partial substitution, the derived antiperovskite nitride achieves a smaller kinetic barrier of water dissociation compared to the unsubstituted InNNi 3 and CuNNi 3 , revealed by first‐principle calculations. It is found that the partially substituted Cu x In 1− x NNi 3 possesses a thermal neutral and desirable Gibbs free energy of hydrogen for HER, ascribed to the tailoring of the energy of d‐band center arose by the A‐site (A=Cu or In) substitution and a resulting optimization of adsorbate interactions.
Type of Medium:
Online Resource
ISSN:
0044-8249
,
1521-3757
DOI:
10.1002/ange.v132.40
DOI:
10.1002/ange.202007883
Language:
English
Publisher:
Wiley
Publication Date:
2020
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