Directing CO<sub>2</sub> electroreduction to ethanol <i>via</i> delicate geometrical modification of copper-based alloys
This paper describes a detailed simulation approach to simulate the redox process on CuZn alloys, bridging traditional calculations with large-scale, multi-step processes. Through comprehensive redox process simulation, we identify the specific active sites for ethanol production on redox-treated CuZn surfaces while establishing a universally applicable simulation method.
Authors
- Dongfang Cheng (ORCID: https://orcid.org/0000-0003-3509-699X)
- Xiangcheng Shi (ORCID: https://orcid.org/0000-0002-6806-3660)
- Jinlong Gong (ORCID: https://orcid.org/0000-0001-7263-318X)
- Lyudmila V. Moskaleva (ORCID: https://orcid.org/0000-0003-0168-7126)
- Zhi‐Jian Zhao (ORCID: https://orcid.org/0000-0002-8856-5078)
- Shican Wu (ORCID: https://orcid.org/0009-0000-6421-3273)
- Shiyu Zhen (ORCID: https://orcid.org/0009-0007-0797-7788)
- Peng Zhang (ORCID: https://orcid.org/0000-0003-2228-3569)
- Gong Zhang (ORCID: https://orcid.org/0000-0002-9100-4810)
- Xiaoyun Lin
- Xiao Ma
- Jie Du
- Xin Chang (ORCID: https://orcid.org/0000-0003-0841-0322)
- Chaoxi Wang
Institutions
- Tianjin Normal University (CN)
- Tianjin University (CN)
- National University of Singapore (SG)
- University of the Free State (ZA)
- Unité Matériaux et Transformations (FR)
- Collaborative Innovation Center of Chemical Science and Engineering Tianjin (CN)
Publication Details
- Journal
- Materials Horizons
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5mh00417a
- Citations
- 2
- Primary Topic
- CO2 Reduction Techniques and Catalysts
- Type
- article
- Field-Weighted Citation Impact
- 0.73
Funders
- National Natural Science Foundation of China
- National Key Research and Development Program of China