期刊
CHEMCATCHEM
卷 11, 期 5, 页码 1441-1447出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.201900041
关键词
N-2 reduction reaction; CuO; Graphene; Adsorption; Density functional theory
资金
- National Natural Science Foundation of China [51761024]
- CAS Light of West China Program, Feitian Scholar Program of Gansu Province
- Foundation of A Hundred Youth Talents Training Program of Lanzhou Jiaotong University
Electrochemical conversion of N-2 to NH3 offers a clean and energy-saving solution for artificial NH3 production, but requires cost-effective, steady and highly efficient catalysts to promote N-2 reduction reaction (NRR). Herein, CuO employed as a new non-noble-metal NRR catalyst was investigated both experimentally and theoretically. When supporting the CuO nanoparticles on reduced graphene oxide (RGO), it was demonstrated that the resulting CuO/RGO nanocomposite could effectively and robustly catalyze NRR under ambient conditions. At -0.75 V versus reversible hydrogen electrode, the CuO/RGO exhibited a high NH3 yield of 1.8x10(-10) mol s(-1) cm(-2) and Faradaic efficiency of 3.9 %, along with the excellent selectivity and high stability. Density functional theory (DFT) calculations revealed that the Suf-end was the most effective mode for N-2 adsorption on catalytic Cu atoms. In NRR process, the alternating associative route was the preferable pathway with *N-2 ->*NNH being the rate-determining step.
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