指导二氧化碳电还原乙醇通过精细的几何修改铜基合金。

IF 12.2 2区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Materials Horizons Pub Date : 2025-05-16 DOI:10.1039/d5mh00417a

Xiao Ma, Gong Zhang, Jie Du, Xiaoyun Lin, Shiyu Zhen, Dongfang Cheng, Chaoxi Wang, Xin Chang, Shican Wu, Xiangcheng Shi, Lyudmila Moskaleva, Peng Zhang, Zhi-Jian Zhao, Jinlong Gong

引用次数: 0

摘要

本文描述了一种详细的模拟方法来模拟CuZn合金的氧化还原过程，将传统的计算与大规模的多步骤过程相结合。通过全面的氧化还原过程模拟，我们确定了氧化还原处理过的CuZn表面产生乙醇的特定活性位点，并建立了一种普遍适用的模拟方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Directing CO₂ electroreduction to ethanol via 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.

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来源期刊

Materials Horizons CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

18.90

自引率

2.30%

发文量

306

审稿时长

1.3 months

期刊介绍： Materials Horizons is a leading journal in materials science that focuses on publishing exceptionally high-quality and innovative research. The journal prioritizes original research that introduces new concepts or ways of thinking, rather than solely reporting technological advancements. However, groundbreaking articles featuring record-breaking material performance may also be published. To be considered for publication, the work must be of significant interest to our community-spanning readership. Starting from 2021, all articles published in Materials Horizons will be indexed in MEDLINE©. The journal publishes various types of articles, including Communications, Reviews, Opinion pieces, Focus articles, and Comments. It serves as a core journal for researchers from academia, government, and industry across all areas of materials research. Materials Horizons is a Transformative Journal and compliant with Plan S. It has an impact factor of 13.3 and is indexed in MEDLINE.