Controlling the Shapes of Nanoparticles by Dopant-Induced Enhancement of Chemisorption and Catalytic Activity: Application to Fe-Based Ammonia Synthesis.

catalyst dft high-throughput screening nanoparticle wulff construction

Journal

ACS nano
ISSN: 1936-086X
Titre abrégé: ACS Nano
Pays: United States
ID NLM: 101313589

Informations de publication

Date de publication:
26 Jan 2021
Historique:
pubmed: 24 12 2020
medline: 24 12 2020
entrez: 23 12 2020
Statut: ppublish

Résumé

We showed recently that the catalytic efficiency of ammonia synthesis on Fe-based nanoparticles (NP) for Haber-Bosch (HB) reduction of N

Identifiants

pubmed: 33355457
doi: 10.1021/acsnano.0c09346
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

1675-1684

Auteurs

Qi An (Q)

Department of Chemical and Materials Engineering, University of Nevada-Reno, Reno, Nevada 89577, United States.

Molly McDonald (M)

Department of Chemical and Materials Engineering, University of Nevada-Reno, Reno, Nevada 89577, United States.

Alessandro Fortunelli (A)

Materials and Process Simulation Center (MSC), California Institute of Technology, Pasadena, California 91125, United States.
CNR-ICCOM, Consiglio Nazionale delle Ricerche, ThC2-Lab, Pisa 56124, Italy.

William A Goddard (WA)

Materials and Process Simulation Center (MSC), California Institute of Technology, Pasadena, California 91125, United States.

Classifications MeSH