Theoretical prediction of efficient Cu-based dual-atom alloy catalysts for electrocatalytic nitrate reduction to ammonia <i>via</i> high-throughput first-principles calculations
The dual-atom sites in Cu-based dual-atom alloy not only exhibit high activity for electrocatalytic nitrate (NO 3 − ) reduction reaction (eNO 3 RR) to produce valuable ammonia (NH 3 ), but also can effectively inhibit the formation of by-products.
Authors
- Qianlin Li (ORCID: https://orcid.org/0009-0009-6336-2715)
- Chunmei Tang (ORCID: https://orcid.org/0000-0003-1033-8569)
- Yuanyuan Wang (ORCID: https://orcid.org/0000-0003-3006-0701)
- Feng Xiong (ORCID: https://orcid.org/0009-0002-1647-2742)
- Ting Xiao (ORCID: https://orcid.org/0000-0002-4139-6844)
Institutions
- Hohai University (CN)
- Nanjing University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2024-11-15
- DOI
- https://doi.org/10.1039/d4ta07470j
- Citations
- 17
- Primary Topic
- Ammonia Synthesis and Nitrogen Reduction
- Type
- article
- Field-Weighted Citation Impact
- 1.82