Journal
APPLIED CATALYSIS B-ENVIRONMENTAL
Volume 280, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.apcatb.2020.119419
Keywords
Ce1/3NbO3; Nitrogen reduction reaction; Electrocatalyst; Reaction mechanism; DFT calculation
Funding
- Natural Science Foundation of China [51772152, 21908110]
- Natural Science Foundation of Jiangsu Province [1192261031693]
- Fundamental Research Funds for the Central Universities [30919011110, 1191030558]
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A novel Ce1/3NbO3 perovskite is proposed as an efficient electrocatalyst for nitrogen reduction reaction (NRR), demonstrating high NRR performance in experimental tests. Mechanistic studies suggest that both Nb and Ce atoms play crucial roles in the NRR process.
Herein, a novel Ce1/3NbO3 perovskite is proposed as an efficient electrocatalyst to catalyze the nitrogen reduction reaction (NRR) at ambient conditions. Density functional theory calculations are firstly used to predict the potential N-2 activation ability of Ce1/3NbO3, and then, the Ce1/3NbO3 with a flower-like porous structure is prepared by a hydrothermal process and post calcination. Electrochemical tests reveal that such catalyst achieves a high NRR performance with the Faradaic efficiency of 6.87% and NH3 yield of 10.34 mu g h(-1) cm(-2) at - 0.8 V vs RHE in 0.1 M Na2SO4, keeping up with many electrocatalysts reported recently. The mechanistic studies disclose that Nb atom is favorable as the efficient active site for NRR by the distal pathway, and Ce atom synergistically enhances the charge transfer during the NRR process. Our work provides an important reference to the rational design of the promising electrocatalysts for NRR.
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