DFT insights into competing mechanisms of guaiacol hydrodeoxygenation on a platinum cluster-Reference-Cited by-同舟云学术

DFT insights into competing mechanisms of guaiacol hydrodeoxygenation on a platinum cluster

Published:2023 Issue:15 Volume:25 Page:10460-10471
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Nania Chiara¹,Bertini Marco¹^ORCID,Gueci Laura¹^ORCID,Ferrante Francesco¹^ORCID,Duca Dario¹

Affiliation:

1. Dipartimento di Fisica e Chimica, Università degli Studi di Palermo, Viale delle Scienze Ed. 17, 90128 Palermo, Italy

Abstract

The pathways related to two limiting mechanisms for the conversion of the biomass-relevant molecule guaiacol to cyclohexane, as catalyzed by a subnanometric palladium cluster, were investigated by means of DFT.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP06077A

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