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Atomic interface effect of a single atom copper catalyst for enhanced oxygen reduction reactions
Energy & Environmental Science ( IF 32.4 ) Pub Date : 2019-11-15 , DOI: 10.1039/c9ee02974e Zhuoli Jiang 1, 2, 3, 4, 5 , Wenming Sun 5, 6, 7, 8 , Huishan Shang 1, 2, 3, 4, 5 , Wenxing Chen 1, 2, 3, 4, 5 , Tingting Sun 5, 9, 10, 11, 12 , Haijing Li 5, 13, 14, 15, 16 , Juncai Dong 5, 13, 14, 15, 16 , Jing Zhou 5, 17, 18, 19, 20 , Zhi Li 5, 10, 21, 22 , Yu Wang 5, 17, 18, 19, 20 , Rui Cao 23, 24, 25, 26 , Ritimukta Sarangi 23, 24, 25, 26 , Zhengkun Yang 5, 10, 27, 28, 29 , Dingsheng Wang 5, 10, 21, 22 , Jiatao Zhang 1, 2, 3, 4, 5 , Yadong Li 5, 10, 21, 22
Energy & Environmental Science ( IF 32.4 ) Pub Date : 2019-11-15 , DOI: 10.1039/c9ee02974e Zhuoli Jiang 1, 2, 3, 4, 5 , Wenming Sun 5, 6, 7, 8 , Huishan Shang 1, 2, 3, 4, 5 , Wenxing Chen 1, 2, 3, 4, 5 , Tingting Sun 5, 9, 10, 11, 12 , Haijing Li 5, 13, 14, 15, 16 , Juncai Dong 5, 13, 14, 15, 16 , Jing Zhou 5, 17, 18, 19, 20 , Zhi Li 5, 10, 21, 22 , Yu Wang 5, 17, 18, 19, 20 , Rui Cao 23, 24, 25, 26 , Ritimukta Sarangi 23, 24, 25, 26 , Zhengkun Yang 5, 10, 27, 28, 29 , Dingsheng Wang 5, 10, 21, 22 , Jiatao Zhang 1, 2, 3, 4, 5 , Yadong Li 5, 10, 21, 22
Affiliation
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The regulation of catalytic activity in the oxygen reduction reaction (ORR) is significant to the development of metal–air batteries and other oxygen involving energy conversion devices. Herein, we propose an atomic interface strategy to construct a single atom copper catalyst (denoted as Cu-SA/SNC) which exhibits enhanced ORR activity with a half-wave potential of 0.893 V vs. RHE in alkaline media. Moreover, synchrotron-radiation-based X-ray absorption fine structure (XAFS) investigations together with density functional theory (DFT) calculations reveal that the isolated bond-shrinking low-valence Cu (+1)–N4–C8S2 atomic interface moiety serves as an active site during the ORR process, and the synergistic mechanism between the Cu species and the carbon matrix at the atomic interface plays a critical role in boosting the ORR efficiency, by adjusting the reaction free energy of intermediate adsorption. This atomic interface concept may provide an alternative methodology for the rational design of advanced oxygen electrode materials and new probability to improve their catalytic performance.
中文翻译：
单原子铜催化剂增强氧还原反应的原子界面效应
氧气还原反应（ORR）中催化活性的调节对金属-空气电池和其他涉及能量转换装置的氧气的开发很重要。在本文中，我们提出了一种原子界面策略来构建单原子铜催化剂（表示为Cu-SA / SNC），该催化剂在碱性介质中具有相对于RHE的半波电势为0.893 V的增强的ORR活性。此外，基于同步辐射的X射线吸收精细结构（XAFS）研究以及密度泛函理论（DFT）计算表明，孤立的键收缩低价Cu（+1）–N 4 –C 8 S 2原子界面部分在ORR过程中充当活性位点，并且通过调节中间吸附的反应自由能，Cu物种与原子界面处的碳基体之间的协同机制在提高ORR效率方面起着关键作用。该原子界面概念可以为先进的氧电极材料的合理设计提供新的方法，并为提高其催化性能提供新的可能性。
更新日期：2019-11-15
中文翻译：
单原子铜催化剂增强氧还原反应的原子界面效应
氧气还原反应（ORR）中催化活性的调节对金属-空气电池和其他涉及能量转换装置的氧气的开发很重要。在本文中，我们提出了一种原子界面策略来构建单原子铜催化剂（表示为Cu-SA / SNC），该催化剂在碱性介质中具有相对于RHE的半波电势为0.893 V的增强的ORR活性。此外，基于同步辐射的X射线吸收精细结构（XAFS）研究以及密度泛函理论（DFT）计算表明，孤立的键收缩低价Cu（+1）–N 4 –C 8 S 2原子界面部分在ORR过程中充当活性位点，并且通过调节中间吸附的反应自由能，Cu物种与原子界面处的碳基体之间的协同机制在提高ORR效率方面起着关键作用。该原子界面概念可以为先进的氧电极材料的合理设计提供新的方法，并为提高其催化性能提供新的可能性。
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