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Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory

Collision times for the coinage metal atoms Cu, Ag and Au in He-droplets are derived from helium density functional theory and molecular dynamics simulations. The strength of the attractive interaction between the metal atoms turns out to be less important than the mass of the propagating metal atom...

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Detalles Bibliográficos
Autores principales: Hauser, Andreas W., Volk, Alexander, Thaler, Philipp, Ernst, Wolfgang E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4441260/
https://www.ncbi.nlm.nih.gov/pubmed/25812719
http://dx.doi.org/10.1039/c5cp01110h
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author Hauser, Andreas W.
Volk, Alexander
Thaler, Philipp
Ernst, Wolfgang E.
author_facet Hauser, Andreas W.
Volk, Alexander
Thaler, Philipp
Ernst, Wolfgang E.
author_sort Hauser, Andreas W.
collection PubMed
description Collision times for the coinage metal atoms Cu, Ag and Au in He-droplets are derived from helium density functional theory and molecular dynamics simulations. The strength of the attractive interaction between the metal atoms turns out to be less important than the mass of the propagating metal atoms. Even for small droplets consisting of a few thousand helium atoms, the collision times are shortest for Cu, followed by Ag and Au, despite the higher binding energy of Au(2) compared to Cu(2).
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spelling pubmed-44412602015-05-25 Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory Hauser, Andreas W. Volk, Alexander Thaler, Philipp Ernst, Wolfgang E. Phys Chem Chem Phys Chemistry Collision times for the coinage metal atoms Cu, Ag and Au in He-droplets are derived from helium density functional theory and molecular dynamics simulations. The strength of the attractive interaction between the metal atoms turns out to be less important than the mass of the propagating metal atoms. Even for small droplets consisting of a few thousand helium atoms, the collision times are shortest for Cu, followed by Ag and Au, despite the higher binding energy of Au(2) compared to Cu(2). Royal Society of Chemistry 2015-04-28 2015-03-27 /pmc/articles/PMC4441260/ /pubmed/25812719 http://dx.doi.org/10.1039/c5cp01110h Text en This journal is © The Royal Society of Chemistry 2015 http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution 3.0 Unported License (http://creativecommons.org/licenses/by/3.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Chemistry
Hauser, Andreas W.
Volk, Alexander
Thaler, Philipp
Ernst, Wolfgang E.
Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory
title Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory
title_full Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory
title_fullStr Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory
title_full_unstemmed Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory
title_short Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory
title_sort atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from he-density functional theory
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4441260/
https://www.ncbi.nlm.nih.gov/pubmed/25812719
http://dx.doi.org/10.1039/c5cp01110h
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