CuO/C催化剂原子反应途径的探索。

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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引用次数: 0

摘要

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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Probing the Atomistic Reaction Pathways in CuO/C Catalysts

CuOx/C catalysts have been used in the selective catalytic reduction of NOx because of the exceptional low-temperature denitration (de-NOx) activity. A fundamental understanding of the reaction between CuO and C is critical for controlling the component of CuOx/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-NOx catalysts in the future.

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来源期刊
Nano Letters
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
期刊介绍: Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.
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