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.

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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
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article

Theoretical prediction of efficient Cu-based dual-atom alloy catalysts for electrocatalytic nitrate reduction to ammonia via high-throughput first-principles calculations

Qianlin Li, Chunmei Tang, Yuanyuan Wang, Feng Xiong et al.
17 citations
Journal of Materials Chemistry A
Ammonia Synthesis and Nitrogen Reduction
1.82
article

Theoretical prediction of efficient Cu-based dual-atom alloy catalysts for electrocatalytic nitrate reduction to ammonia via high-throughput first-principles calculations

Qianlin Li, Chunmei Tang, Yuanyuan Wang, Feng Xiong, Ting Xiao
article en
17 citations

Abstract

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.

Journal of Materials Chemistry AVol. 13(5)
Hohai University (CN), Nanjing University (CN)
Clean water and sanitation
Openalex Percentile: Top 14%
Ammonia Synthesis and Nitrogen Reduction
1.82
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Theoretical prediction of efficient Cu-based dual-atom alloy catalysts for electrocatalytic nitrate reduction to ammonia <i>via</i> high-throughput first-principles calculations — Qianlin Li, Chunmei Tang, et al. · Journal of Materials Chemistry A (2024) | TGRS Research Map | TGRS