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Understanding trends in electrochemical carbon dioxide reduction rates

Author

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  • Xinyan Liu

    (SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory
    SUNCAT Center for Interface Science and Catalysis, Stanford University)

  • Jianping Xiao

    (SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory
    SUNCAT Center for Interface Science and Catalysis, Stanford University)

  • Hongjie Peng

    (SUNCAT Center for Interface Science and Catalysis, Stanford University
    Tsinghua University)

  • Xin Hong

    (SUNCAT Center for Interface Science and Catalysis, Stanford University
    Zhejiang University)

  • Karen Chan

    (SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory)

  • Jens K. Nørskov

    (SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory
    SUNCAT Center for Interface Science and Catalysis, Stanford University)

Abstract

Electrochemical carbon dioxide reduction to fuels presents one of the great challenges in chemistry. Herein we present an understanding of trends in electrocatalytic activity for carbon dioxide reduction over different metal catalysts that rationalize a number of experimental observations including the selectivity with respect to the competing hydrogen evolution reaction. We also identify two design criteria for more active catalysts. The understanding is based on density functional theory calculations of activation energies for electrochemical carbon monoxide reduction as a basis for an electrochemical kinetic model of the process. We develop scaling relations relating transition state energies to the carbon monoxide adsorption energy and determine the optimal value of this descriptor to be very close to that of copper.

Suggested Citation

  • Xinyan Liu & Jianping Xiao & Hongjie Peng & Xin Hong & Karen Chan & Jens K. Nørskov, 2017. "Understanding trends in electrochemical carbon dioxide reduction rates," Nature Communications, Nature, vol. 8(1), pages 1-7, August.
    • Handle: RePEc:nat:natcom:v:8:y:2017:i:1:d:10.1038_ncomms15438
    DOI: 10.1038/ncomms15438
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    Cited by:

    1. Yan Shen & Chunjin Ren & Lirong Zheng & Xiaoyong Xu & Ran Long & Wenqing Zhang & Yong Yang & Yongcai Zhang & Yingfang Yao & Haoqiang Chi & Jinlan Wang & Qing Shen & Yujie Xiong & Zhigang Zou & Yong Zh, 2023. "Room-temperature photosynthesis of propane from CO2 with Cu single atoms on vacancy-rich TiO2," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
    2. Wei Liu & Pengbo Zhai & Aowen Li & Bo Wei & Kunpeng Si & Yi Wei & Xingguo Wang & Guangda Zhu & Qian Chen & Xiaokang Gu & Ruifeng Zhang & Wu Zhou & Yongji Gong, 2022. "Electrochemical CO2 reduction to ethylene by ultrathin CuO nanoplate arrays," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    3. Stefan Ringe, 2023. "The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts," Nature Communications, Nature, vol. 14(1), pages 1-14, December.
    4. Manjeet Chhetri & Mingyu Wan & Zehua Jin & John Yeager & Case Sandor & Conner Rapp & Hui Wang & Sungsik Lee & Cameron J. Bodenschatz & Michael J. Zachman & Fanglin Che & Ming Yang, 2023. "Dual-site catalysts featuring platinum-group-metal atoms on copper shapes boost hydrocarbon formations in electrocatalytic CO2 reduction," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    5. Xin Liu & Yan Jiao & Yao Zheng & Mietek Jaroniec & Shi-Zhang Qiao, 2022. "Mechanism of C-N bonds formation in electrocatalytic urea production revealed by ab initio molecular dynamics simulation," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    6. Jie Ding & Fuhua Li & Xinyi Ren & Yuhang Liu & Yifan Li & Zheng Shen & Tian Wang & Weijue Wang & Yang-Gang Wang & Yi Cui & Hongbin Yang & Tianyu Zhang & Bin Liu, 2024. "Molecular tuning boosts asymmetric C-C coupling for CO conversion to acetate," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    7. Qian Wu & Chencheng Dai & Fanxu Meng & Yan Jiao & Zhichuan J. Xu, 2024. "Potential and electric double-layer effect in electrocatalytic urea synthesis," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    8. Philipp Grosse & Aram Yoon & Clara Rettenmaier & Antonia Herzog & See Wee Chee & Beatriz Roldan Cuenya, 2021. "Dynamic transformation of cubic copper catalysts during CO2 electroreduction and its impact on catalytic selectivity," Nature Communications, Nature, vol. 12(1), pages 1-11, December.
    9. Jiawei Li & Hongliang Zeng & Xue Dong & Yimin Ding & Sunpei Hu & Runhao Zhang & Yizhou Dai & Peixin Cui & Zhou Xiao & Donghao Zhao & Liujiang Zhou & Tingting Zheng & Jianping Xiao & Jie Zeng & Chuan X, 2023. "Selective CO2 electrolysis to CO using isolated antimony alloyed copper," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    10. Dong Hyeon Mok & Hong Li & Guiru Zhang & Chaehyeon Lee & Kun Jiang & Seoin Back, 2023. "Data-driven discovery of electrocatalysts for CO2 reduction using active motifs-based machine learning," Nature Communications, Nature, vol. 14(1), pages 1-12, December.

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