Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

Antton Curutchet; Pauline Colinet; Carine Michel; Stephan Steinmann; Tangui Le Bahers

doi:10.1039/D0CP00281J

Retour

Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

Article de revue

Avec comité de lecture

Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

Antton Curutchet, Pauline Colinet, Carine Michel, Stephan Steinmann et Tangui Le Bahers

Physical chemistry chemical physics : PCCP, Vol.22(13), pp.7031-7038

06/04/2020

DOI: https://doi.org/10.1039/D0CP00281J

PMID: 32195492

Résumé

Catalysis

Chemical Sciences

Inorganic chemistry

Material chemistry

or physical chemistry

Theoretical and

We uncover several competitive mechanisms of water oxidation on the β-CoOOH (10–14) surface by explicitly including electrode polarisation and going beyond the classical 4-step mechanism frequently used to study this reaction at the DFT level.

Indicateurs

1 Consultations de la notice

Détails

Titre: Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization
Créateurs - sans rôle: Antton Curutchet
Pauline Colinet - Laboratoire de Chimie - UMR5182
Carine Michel - Laboratoire de Chimie - UMR5182
Stephan Steinmann - Laboratoire de Chimie - UMR5182
Tangui Le Bahers - Laboratoire de Chimie - UMR5182
Détails de publication: Physical chemistry chemical physics : PCCP, Vol.22(13), pp.7031-7038
Éditeur: Royal Society of Chemistry
Nombre de pages: 8
Identifiants: 99139198509311
Unité académique: Institut Charles Gerhardt Montpellier - ICGM
Langue: English
Type de ressource: Journal article