Dynamic sampling of liquid metal structures for theoretical studies on catalysis-Reference-Cited by-同舟云学术

Dynamic sampling of liquid metal structures for theoretical studies on catalysis

Published:2024 Issue:1 Volume:15 Page:185-194
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Ruffman Charlie¹^ORCID,Steenbergen Krista G.²^ORCID,Garden Anna L.³^ORCID,Gaston Nicola¹^ORCID

Affiliation:

1. MacDiarmid Institute for Advanced Materials and Nanotechnology, Department of Physics, University of Auckland, Private Bag 92019, Auckland, New Zealand

2. MacDiarmid Institute for Advanced Materials and Nanotechnology, Department of Physics, School of Chemical and Physical Sciences, Victoria University of Wellington, PO Box 600, Wellington 6140, New Zealand

3. MacDiarmid Institute for Advanced Materials and Nanotechnology, Department of Chemistry, University of Otago, P.O. Box 56, Dunedin 9054, New Zealand

Abstract

Ab initio molecular dynamics sampling of an adsorbate on a liquid catalyst yields a more detailed treatment for catalysis.

Funder

Royal Society Te Apārangi

MacDiarmid Institute for Advanced Materials and Nanotechnology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D3SC04416E

Reference48 articles.