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Zn-Doped Cu(100) facet with efficient catalytic ability for the CO2 electroreduction to ethylene

Journal Article


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Abstract


  • Electrochemically converting CO2 into fuels and chemicals is an appealing strategy to create energy rich products. The highly demanded product ethylene has been preferably produced on Cu-based catalysts with abundant exposed Cu(100) facets. However, the performance is still limited by the large energy barrier for the C-C dimerization. Here, to lower the energy barrier, we tailor the electronic structure of Cu(100) by doping a series of transition metals using the density functional theory (DFT) method. The zinc-doped Cu(100) surface has shown a superior catalytic performance. Mechanistic study further reveals that doping with Zn alters the electronic structure around Cu, adjusts the atomic arrangement in the active sites and makes the catalyst surface electronegative, which is conducive to the activation of acidic molecular CO2 and the reduction of the energy barrier for C-C dimerization. This work reveals that the doping of Cu with transition metals has great potential in promoting the electrochemical CO2-to-C2H4 conversion. This work also provides deep insights into the formation mechanisms of C2H4, thus guiding the design of Cu-based bimetallic catalysts for its effective production.

Authors


  •   Zhang, Yuefeng (external author)
  •   Zhao, Yong (external author)
  •   Wang, Caiyun
  •   Wei, Zengxi (external author)
  •   Yang, Junliang (external author)
  •   Ma, Jianmin (external author)

Publication Date


  • 2019

Citation


  • Zhang, Y., Zhao, Y., Wang, C., Wei, Z., Yang, J. & Ma, J. (2019). Zn-Doped Cu(100) facet with efficient catalytic ability for the CO2 electroreduction to ethylene. Physical chemistry chemical physics : PCCP, 21 (38), 21341-21348.

Scopus Eid


  • 2-s2.0-85072848539

Ro Full-text Url


  • https://ro.uow.edu.au/context/aiimpapers/article/4894/type/native/viewcontent

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/3839

Has Global Citation Frequency


Number Of Pages


  • 7

Start Page


  • 21341

End Page


  • 21348

Volume


  • 21

Issue


  • 38

Place Of Publication


  • United Kingdom

Abstract


  • Electrochemically converting CO2 into fuels and chemicals is an appealing strategy to create energy rich products. The highly demanded product ethylene has been preferably produced on Cu-based catalysts with abundant exposed Cu(100) facets. However, the performance is still limited by the large energy barrier for the C-C dimerization. Here, to lower the energy barrier, we tailor the electronic structure of Cu(100) by doping a series of transition metals using the density functional theory (DFT) method. The zinc-doped Cu(100) surface has shown a superior catalytic performance. Mechanistic study further reveals that doping with Zn alters the electronic structure around Cu, adjusts the atomic arrangement in the active sites and makes the catalyst surface electronegative, which is conducive to the activation of acidic molecular CO2 and the reduction of the energy barrier for C-C dimerization. This work reveals that the doping of Cu with transition metals has great potential in promoting the electrochemical CO2-to-C2H4 conversion. This work also provides deep insights into the formation mechanisms of C2H4, thus guiding the design of Cu-based bimetallic catalysts for its effective production.

Authors


  •   Zhang, Yuefeng (external author)
  •   Zhao, Yong (external author)
  •   Wang, Caiyun
  •   Wei, Zengxi (external author)
  •   Yang, Junliang (external author)
  •   Ma, Jianmin (external author)

Publication Date


  • 2019

Citation


  • Zhang, Y., Zhao, Y., Wang, C., Wei, Z., Yang, J. & Ma, J. (2019). Zn-Doped Cu(100) facet with efficient catalytic ability for the CO2 electroreduction to ethylene. Physical chemistry chemical physics : PCCP, 21 (38), 21341-21348.

Scopus Eid


  • 2-s2.0-85072848539

Ro Full-text Url


  • https://ro.uow.edu.au/context/aiimpapers/article/4894/type/native/viewcontent

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/3839

Has Global Citation Frequency


Number Of Pages


  • 7

Start Page


  • 21341

End Page


  • 21348

Volume


  • 21

Issue


  • 38

Place Of Publication


  • United Kingdom