Literature DB >> 23345201

Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps.

Xiaowa Nie1, Monica R Esopi, Michael J Janik, Aravind Asthagiri.   

Abstract

On the right path: Based on DFT calculations (incorporating the role of water solvation) of the activation barriers of elementary steps, a new path that leads to methane and ethylene for CO(2) electroreduction on Cu(111) was identified. Methane formation proceeds through reduction of CO to COH (path II, see picture), which leads to CH(x) species that can produce both methane and ethylene, as observed experimentally.
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Year:  2013        PMID： 23345201     DOI： 10.1002/anie.201208320

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  39 in total

1.  Selective reduction of CO to acetaldehyde with CuAg electrocatalysts.

Authors:  Lei Wang; Drew C Higgins; Yongfei Ji; Carlos G Morales-Guio; Karen Chan; Christopher Hahn; Thomas F Jaramillo
Journal:  Proc Natl Acad Sci U S A       Date:  2020-01-24       Impact factor: 11.205

2.  Introducing structural sensitivity into adsorption-energy scaling relations by means of coordination numbers.

Authors:  Federico Calle-Vallejo; David Loffreda; Marc T M Koper; Philippe Sautet
Journal:  Nat Chem       Date:  2015-04-06       Impact factor: 24.427

3.  CO2 reduction on pure Cu produces only H2 after subsurface O is depleted: Theory and experiment.

Authors:  Guiji Liu; Michelle Lee; Soonho Kwon; Guosong Zeng; Johanna Eichhorn; Aya K Buckley; F Dean Toste; William A Goddard; Francesca M Toma
Journal:  Proc Natl Acad Sci U S A       Date:  2021-06-08       Impact factor: 11.205

Review 4.  Materials for solar fuels and chemicals.

Authors:  Joseph H Montoya; Linsey C Seitz; Pongkarn Chakthranont; Aleksandra Vojvodic; Thomas F Jaramillo; Jens K Nørskov
Journal:  Nat Mater       Date:  2016-12-20       Impact factor: 43.841

5.  Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K.

Authors:  Tao Cheng; Hai Xiao; William A Goddard
Journal:  Proc Natl Acad Sci U S A       Date:  2017-02-06       Impact factor: 11.205

6.  Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2.

Authors:  Hai Xiao; William A Goddard; Tao Cheng; Yuanyue Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2017-06-12       Impact factor: 11.205

7.  Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics.

Authors:  Tao Cheng; Alessandro Fortunelli; William A Goddard
Journal:  Proc Natl Acad Sci U S A       Date:  2019-03-13       Impact factor: 11.205

8.  Hydrogen bonding steers the product selectivity of electrocatalytic CO reduction.

Authors:  Jingyi Li; Xiang Li; Charuni M Gunathunge; Matthias M Waegele
Journal:  Proc Natl Acad Sci U S A       Date:  2019-04-19       Impact factor: 11.205

9.  Polymer-supported CuPd nanoalloy as a synergistic catalyst for electrocatalytic reduction of carbon dioxide to methane.

Authors:  Sheng Zhang; Peng Kang; Mohammed Bakir; Alexander M Lapides; Christopher J Dares; Thomas J Meyer
Journal:  Proc Natl Acad Sci U S A       Date:  2015-12-14       Impact factor: 11.205

10.  Highly efficient binary copper-iron catalyst for photoelectrochemical carbon dioxide reduction toward methane.

Authors:  Baowen Zhou; Pengfei Ou; Nick Pant; Shaobo Cheng; Srinivas Vanka; Sheng Chu; Roksana Tonny Rashid; Gianluigi Botton; Jun Song; Zetian Mi
Journal:  Proc Natl Acad Sci U S A       Date:  2020-01-03       Impact factor: 11.205
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