Title: Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces

Authors (3): M. Higham, M. G. Quesne, C. R. A. .Catlow

Themes: New Catalysts (2020), Featured (2020)

DOI: 10.1039/d0dt00754d

Citations: 31

Pub type: article-journal

Publisher: Royal Society of Chemistry (RSC)

Issue: 25

License: {"URL"=>"http://creativecommons.org/licenses/by/3.0/", "start"=>{"date-parts"=>[[2020, 7, 6]], "date-time"=>"2020-07-06T00:00:00Z", "timestamp"=>1593993600000}, "delay-in-days"=>187, "content-version"=>"vor"}

Publication date(s): 2020/06/29 (print) 2020 (online)

Pages: 8478-8497

Volume: 49 Issue: 25

Journal: Dalton Transactions

Link: {"URL"=>"http://pubs.rsc.org/en/content/articlepdf/2020/DT/D0DT00754D", "content-type"=>"unspecified", "content-version"=>"vor", "intended-application"=>"similarity-checking"}

URL: http://dx.doi.org/10.1039/d0dt00754d

Density functional methods are applied to explore the reaction mechanism for CO2 hydrogenation to methanol over low-index Cu surfaces, namely Cu(110) and Cu(100).

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