Understanding trends in electrochemical carbon dioxide reduction rates

Liu, Xinyan; Xiao, Jianping; Peng, Hongjie; Hong, Xin; Chan, Karen; Norskov, Jens K.

doi:10.1038/ncomms15438

Title: Understanding trends in electrochemical carbon dioxide reduction rates

Journal Article · Mon May 22 00:00:00 EDT 2017 · Nature Communications

DOI:https://doi.org/10.1038/ncomms15438· OSTI ID:1368688

Liu, Xinyan ^[1]; Xiao, Jianping ^[1]; Peng, Hongjie ^[2]; Hong, Xin ^[3];

^[4]; Norskov, Jens K. ^[1]

SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
Stanford Univ., Stanford, CA (United States); Tsinghua Univ., Beijing (China)
Stanford Univ., Stanford, CA (United States); Zhejiang Univ., Hangzhou (China)
SLAC National Accelerator Lab., Menlo Park, CA (United States)

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. Furthermore, 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.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1368688

Journal Information:: Nature Communications, Vol. 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 406 works

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Copper-modulated bismuth nanocrystals alter the formate formation pathway to achieve highly selective CO ₂ electroreduction Zu, Meng Yang; Zhang, Le; Wang, Chongwu Journal of Materials Chemistry A, Vol. 6, Issue 35 https://doi.org/10.1039/c8ta05355c	journal	January 2018
Establishing new scaling relations on two-dimensional MXenes for CO ₂ electroreduction Handoko, Albertus D.; Khoo, Khoong Hong; Tan, Teck Leong Journal of Materials Chemistry A, Vol. 6, Issue 44 https://doi.org/10.1039/c8ta06567e	journal	January 2018
Accessing the C–C transition state energy on transition metals Aljama, Hassan; Abild-Pedersen, Frank Physical Chemistry Chemical Physics, Vol. 21, Issue 45 https://doi.org/10.1039/c9cp04897a	journal	January 2019
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Silicon-doped graphene edges: an efficient metal-free catalyst for the reduction of CO ₂ into methanol and ethanol Mao, Xin; Kour, Gurpreet; Zhang, Lei Catalysis Science & Technology, Vol. 9, Issue 23 https://doi.org/10.1039/c9cy01709g	journal	January 2019
Computational screening of M/Cu core/shell nanoparticles and their applications for the electro-chemical reduction of CO ₂ and CO Dong, Huilong; Liu, Cheng; Li, Youyong Nanoscale, Vol. 11, Issue 23 https://doi.org/10.1039/c9nr01936g	journal	January 2019
Design of doped cesium lead halide perovskite as a photo-catalytic CO ₂ reduction catalyst Tang, Chao; Chen, Chongyang; Xu, Weiwei Journal of Materials Chemistry A, Vol. 7, Issue 12 https://doi.org/10.1039/c9ta00550a	journal	January 2019
Single metal atoms regulated flexibly by a 2D InSe substrate for CO ₂ reduction electrocatalysts Zhao, Chen-Xu; Zhang, Guo-Xu; Gao, Wang Journal of Materials Chemistry A, Vol. 7, Issue 14 https://doi.org/10.1039/c9ta00627c	journal	January 2019
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Atomically dispersed asymmetric Cu–B pair on 2D carbon nitride synergistically boosts the conversion of CO into C ₂ products He, Tianwei; Reuter, Karsten; Du, Aijun Journal of Materials Chemistry A, Vol. 8, Issue 2 https://doi.org/10.1039/c9ta12090d	journal	January 2020
The identification of optimal active boron sites for N ₂ reduction Yin, Hui; Gan, Li-Yong; Wang, Ping Journal of Materials Chemistry A, Vol. 8, Issue 7 https://doi.org/10.1039/c9ta13700a	journal	January 2020
On the origin of the elusive first intermediate of CO ₂ electroreduction Chernyshova, Irina V.; Somasundaran, Ponisseril; Ponnurangam, Sathish Proceedings of the National Academy of Sciences, Vol. 115, Issue 40 https://doi.org/10.1073/pnas.1802256115	journal	September 2018
Selective reduction of CO to acetaldehyde with CuAg electrocatalysts Wang, Lei; Higgins, Drew C.; Ji, Yongfei Proceedings of the National Academy of Sciences, Vol. 117, Issue 23 https://doi.org/10.1073/pnas.1821683117	journal	January 2020
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Synergistic electroreduction of carbon dioxide to carbon monoxide on bimetallic layered conjugated metal-organic frameworks Zhong, Haixia; Ghorbani-Asl, Mahdi; Ly, Khoa Hoang Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15141-y	journal	March 2020

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