Ethanol electro-oxidation reaction on the Pd(111) surface in alkaline media: insights from quantum and molecular mechanics-Reference-Cited by-同舟云学术

Ethanol electro-oxidation reaction on the Pd(111) surface in alkaline media: insights from quantum and molecular mechanics

Published:2022 Issue:20 Volume:24 Page:12569-12579
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Campeggio Jonathan¹,Volkov Victor¹,Innocenti Massimo¹,Giurlani Walter¹,Fontanesi Claudio²^ORCID,Zerbetto Mirco³^ORCID,Pagliai Marco¹^ORCID,Lavacchi Alessandro⁴,Chelli Riccardo¹^ORCID

Affiliation:

1. Department of Chemistry “Ugo Schiff”, University of Florence, Via della Lastruccia 3, Sesto Fiorentino, 50019, Italy

2. Department of Engineering “Enzo Ferrari”, University of Modena and Reggio Emilia, Via Università 4, Modena, 41121, Italy

3. Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, 35131, Italy

4. CNR-ICCOM, Via Madonna del Piano 10, Sesto Fiorentino, 50019, Italy

Abstract

The effect of solvent and of interactions with the Pd-surface on the early H-atom abstraction in the ethanol electro-oxidation reaction is studied.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP00909A

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