Title: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study

Authors (3): M. G. Quesne, C. R. A. .Catlow, N. H. de Leeuw

Themes: New Catalysts (2021)

DOI: 10.1039/d1fd00004g

Citations: 2

Pub type: article-journal

Publisher: Royal Society of Chemistry (RSC)

Issue:

License: [{"URL"=>"http://creativecommons.org/licenses/by/3.0/", "start"=>{"date-parts"=>[[2021, 2, 10]], "date-time"=>"2021-02-10T00:00:00Z", "timestamp"=>1612915200000}, "delay-in-days"=>40, "content-version"=>"vor"}]

Publication date(s): 2021 (online)

Pages:

Volume: Issue:

Journal: Faraday Discussions

Link: [{"URL"=>"http://pubs.rsc.org/en/content/articlepdf/2021/FD/D1FD00004G", "content-type"=>"unspecified", "content-version"=>"vor", "intended-application"=>"similarity-checking"}]

URL: http://dx.doi.org/10.1039/d1fd00004g

A first principles density functional study into the bulk and surfaces properties of MAX-phase early transition metal silicon carbides points to their potential as carbon dioxide hydrogenation catalysts.

Name Description Publised
How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study - data The bulk and surface properties of early transition metal silicon carbid... 2021


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