1. Enhancing electroreduction of NO3− to NH3 over Co3O4 nanowires via N-doping.
- Author
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Guo, Xiaoxi, Wang, Pai, Xu, Youhao, Liu, Li, Li, Hengfeng, and Wu, Tongwei
- Subjects
DENSITY functional theory ,X-ray absorption ,DOPING agents (Chemistry) ,NANOWIRES ,AMMONIA - Abstract
Electroreduction of nitrate (NO
3 − ) has emerged as a promising strategy for producing ammonia (NH3 ) at room temperature in recent years. However, the formation of the less electron-consuming H2 byproduct seriously limits the conversion efficiency of NO3 − to NH3 . In this study, we identify that N-doped Co3 O4 can effectively convert NO3 − to NH3 with a high performance (NH3 yield rate: 7.18 ± 0.59 mg h−1 cm−2 , faradaic efficiency: 96.7 ± 0.88%), which is significantly higher than that of pure Co3 O4 (NH3 yield rate: 4.95 ± 0.54 mg h−1 cm−2 ) and most reported Co-based catalysts (Table S1, ESI). Density functional theory (DFT) calculations coupled with X-ray absorption near-edge structure (XANES) experiments reveal that N-doping in Co3 O4 releases more positive charge on the Co atom site due to charge compensation. This oxidized Co atom site enhances the adsorption of NO3 − while weakening the adsorption of H+ through Coulombic interactions, thus improving NO3 RR activity. Overall, our study provides an efficient electrocatalyst to avoid the formation of the H2 byproduct to facilitate the conversion of NO3 − to NH3 , and opens new avenues towards achieving green ammonia production by controlling Coulombic interactions. [ABSTRACT FROM AUTHOR]- Published
- 2025
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