Computational Mechanistic Study of Electro-Oxidation of Ammonia to N

Journal

The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903

Informations de publication

Date de publication:
19 Sep 2019
Historique:
pubmed: 28 8 2019
medline: 28 8 2019
entrez: 28 8 2019
Statut: ppublish

Résumé

A comprehensive DFT study of the electrocatalytic oxidation of ammonia to dinitrogen by a ruthenium polypyridyl complex, [(tpy)(bpy)Ru

Identifiants

DOI: 10.1021/acs.jpca.9b05908 PMID: 31454245
pubmed: 31454245
doi: 10.1021/acs.jpca.9b05908
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

7973-7982

Auteurs

Ahmad Najafian (A)

Department of Chemistry, Center of Advanced Scientific Computing and Modeling (CASCaM) , University of North Texas , 1155 Union Circle, #305070 , Denton , Texas 76203-5017 , United States.
ORCID: 0000-0003-3802-8538

Thomas R Cundari (TR)

Department of Chemistry, Center of Advanced Scientific Computing and Modeling (CASCaM) , University of North Texas , 1155 Union Circle, #305070 , Denton , Texas 76203-5017 , United States.

Classifications MeSH