Probing the Atomistic Reaction Pathways in CuO/C Catalysts

IF 9.6 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2023-10-08 DOI:10.1021/acs.nanolett.3c02651

Jie Hu, He Zheng*, Lei Li, Guoxujia Chen, Kaixuan Li, Meng Qi, Ying Zhang, Peili Zhao, Weiwei Meng, Shuangfeng Jia and Jianbo Wang*,

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Abstract

CuO_x/C catalysts have been used in the selective catalytic reduction of NO_x because of the exceptional low-temperature denitration (de-NO_x) activity. A fundamental understanding of the reaction between CuO and C is critical for controlling the component of CuO_x/C and thus optimizing the catalytic performance. In this study, a transmission electron microscope equipped with an in situ heating device was utilized to investigate the atomic-scale reaction between CuO and C. We report two reaction mechanisms relying on the volume ratio between C and CuO: (1) The reduction from CuO to Cu₂O (when the ratio is < ∼31%); (2) the reduction of CuO into polycrystalline Cu (when the ratio is > ∼34%). The atomistic reduction pathway can be well interpreted by considering the diffusion of O vacancy through the first-principle calculations. The atomic-scale exploration of CuO/C offers ample prospects for the design of industrial de-NO_x catalysts in the future.

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CuO/C催化剂原子反应途径的探索。

CuOx/C催化剂由于具有优异的低温脱硝（de-NOx）活性而被用于NOx的选择性催化还原。对CuO和C之间反应的基本理解对于控制CuOx/C的组分并从而优化催化性能至关重要。在本研究中，使用配备原位加热装置的透射电子显微镜来研究CuO和C之间的原子级反应。我们报道了依赖于C和CuO之间的体积比的两种反应机制：（1）从CuO还原为Cu2O（当体积比为 ∼34%）。通过第一性原理计算，考虑O空位的扩散，可以很好地解释原子还原途径。CuO/C的原子尺度探索为未来工业脱氮催化剂的设计提供了充足的前景。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

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