Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction

In this work, second-generation Car–Parrinello-based mixed quantum-classical mechanics molecular dynamics simulations of small nanoparticles of NbP, NbAs, TaAs, and 1T-TaS(2) in water are presented. The first three materials are topological Weyl semimetals, which were recently discovered to be activ...

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Detalles Bibliográficos
Autores principales: Gujt, Jure, Zimmer, Peter, Zysk, Frederik, Süß, Vicky, Felser, Claudia, Bauer, Matthias, Kühne, Thomas D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Crystallographic Association 2020
Materias:
ARTICLES
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7228780/
https://www.ncbi.nlm.nih.gov/pubmed/32478126
http://dx.doi.org/10.1063/4.0000008

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7228780/
https://www.ncbi.nlm.nih.gov/pubmed/32478126
http://dx.doi.org/10.1063/4.0000008

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