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Enhanced nitrate reduction reaction via efficient intermediate nitrite conversion on tunable CuxNiy/NC electrocatalysts
Fang, Ling1,2; Wang, Sha1,2; Song, Cheng1,2; Yang, Xiaohui1,2; Li, Yuke3,4; Liu, Hong1,2
2022-01-05
摘要Electroreduction of nitrate (NO3-) to value-added ammonia (NH3) provides an alternative to NH3 production industry and remediation of NO3--containing wastewater. This study reports a series of Cu-Ni catalysts with component-controllable CuxNiy nanoparticles encapsulated in N-doped carbon film (CuxNiy/NC), and disclosure of the associated mechanism for NO3- reduction reaction (NO3-RR). Cu0.43Ni0.57/NC achieves a better NO3--N removal proportion of 89% in comparison with the reference catalysts, including Cu/NC (73%) and CuxNiy/NC with other compositions (Cu0.79Ni0.21/NC, 83%; Cu0.26Ni0.74/NC, 62%; Ni/NC, 20%). The experimental results and density functional theory calculations demonstrate that the lowered energy barriers of *NO2-to-*NO derived from appropriate Ni atom alloying plays a key role in the enhanced catalytic activity. Auxiliary porous substrate further contributes to the exposure of active sites and the durability of catalyst structure. These findings offer a mechanistic understanding of catalyst structure on the NO3-RR activity and valuable insights toward rational design of other catalysts for enhanced NO3-RR.
关键词Nitrate reduction reaction Copper-nickel alloy Density functional theory Nitrite conversion Mechanism
DOI10.1016/j.jhazmat.2021.126628
发表期刊JOURNAL OF HAZARDOUS MATERIALS
ISSN0304-3894
卷号421页码:9
通讯作者Liu, Hong(liuhong@cigit.ac.cn)
收录类别SCI
WOS记录号WOS:000696924200008
语种英语