Oxidation and de-alloying of PtMn particle models: a computational investigation.

Journal

Faraday discussions
ISSN: 1364-5498
Titre abrégé: Faraday Discuss
Pays: England
ID NLM: 9212301

Informations de publication

Date de publication:
31 Jan 2023
Historique:
pubmed: 6 10 2022
medline: 6 10 2022
entrez: 5 10 2022
Statut: epublish

Résumé

We present a computational study of the energetics and mechanisms of oxidation of Pt-Mn systems. We use slab models and simulate the oxidation process over the most stable (111) facet at a given Pt

Identifiants

DOI: 10.1039/d2fd00107a PMID: 36196677
pubmed: 36196677
doi: 10.1039/d2fd00107a
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

174-192

Auteurs

Thantip Roongcharoen (T)

CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, Pisa, 56124, Italy. alessandro.fortunelli@cnr.it.
Department of Chemistry and Industrial Chemistry, DCCI, University of Pisa, Via G. Moruzzi 13, Pisa, Italy.

Xin Yang (X)

Department of Energy Conversion and Storage, Technical University of Denmark, Fysikvej, 2800 Kgs. Lyngby, Denmark. heih@dtu.dk.

Shuang Han (S)

Department of Energy Conversion and Storage, Technical University of Denmark, Fysikvej, 2800 Kgs. Lyngby, Denmark. heih@dtu.dk.

Luca Sementa (L)

CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, Pisa, 56124, Italy. alessandro.fortunelli@cnr.it.

Tejs Vegge (T)

Department of Energy Conversion and Storage, Technical University of Denmark, Fysikvej, 2800 Kgs. Lyngby, Denmark. heih@dtu.dk.
ORCID: 0000-0002-1484-0284

Heine Anton Hansen (HA)

Department of Energy Conversion and Storage, Technical University of Denmark, Fysikvej, 2800 Kgs. Lyngby, Denmark. heih@dtu.dk.
ORCID: 0000-0001-7551-9470

Alessandro Fortunelli (A)

CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, Pisa, 56124, Italy. alessandro.fortunelli@cnr.it.
ORCID: 0000-0001-5337-4450

Classifications MeSH