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Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters

D. M. Foster, R. Ferrando, Richard Palmer Orcid Logo

Nature Communications, Volume: 9, Issue: 1

Swansea University Author: Richard Palmer Orcid Logo

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DOI (Published version): 10.1038/s41467-018-03794-9

Abstract

The equilibrium structures and dynamics of a nanoscale system are regulated by a complex potential energy surface (PES). This is a key target of theoretical calculations but experimentally elusive. We report the measurement of a key PES parameter for a model nanosystem: size-selected Au nanoclusters...

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Published in: Nature Communications
ISSN: 2041-1723 2041-1723
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa39327
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first_indexed 2018-04-06T13:28:30Z
last_indexed 2021-01-15T04:01:13Z
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spelling 2021-01-14T12:59:35.4253447 v2 39327 2018-04-06 Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters 6ae369618efc7424d9774377536ea519 0000-0001-8728-8083 Richard Palmer Richard Palmer true false 2018-04-06 MECH The equilibrium structures and dynamics of a nanoscale system are regulated by a complex potential energy surface (PES). This is a key target of theoretical calculations but experimentally elusive. We report the measurement of a key PES parameter for a model nanosystem: size-selected Au nanoclusters, soft-landed on amorphous silicon nitride supports. We obtain the energy difference between the most abundant structural isomers of magic number Au561 clusters, the decahedron and face-centred-cubic (fcc) structures, from the equilibrium proportions of the isomers. These are measured by atomic-resolution scanning transmission electron microscopy, with an ultra-stable heating stage, as a function of temperature (125–500 °C). At lower temperatures (20–125 °C) the behaviour is kinetic, exhibiting down conversion of metastable decahedra into fcc structures; the higher state is repopulated at higher temperatures in equilibrium. We find the decahedron is 0.040 ± 0.020 eV higher in energy than the fcc isomer, providing a benchmark for the theoretical treatment of nanoparticles. Journal Article Nature Communications 9 1 2041-1723 2041-1723 3 4 2018 2018-04-03 10.1038/s41467-018-03794-9 COLLEGE NANME Mechanical Engineering COLLEGE CODE MECH Swansea University EPSRC, EP/K006061/2 UKRI, (EP/K006061. 2021-01-14T12:59:35.4253447 2018-04-06T12:04:08.1169404 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering D. M. Foster 1 R. Ferrando 2 Richard Palmer 0000-0001-8728-8083 3 0039327-06042018120446.pdf Palmer.s41467-018-03794-9.pdf 2018-04-06T12:04:46.1500000 Output 1467887 application/pdf Version of Record true 2018-04-06T00:00:00.0000000 Distributed under a Creative Commons Attribution 4.0 International License. true eng http://creativecommons.org/licenses/by/4.0/
title Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
spellingShingle Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
Richard Palmer
title_short Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
title_full Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
title_fullStr Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
title_full_unstemmed Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
title_sort Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters
author_id_str_mv 6ae369618efc7424d9774377536ea519
author_id_fullname_str_mv 6ae369618efc7424d9774377536ea519_***_Richard Palmer
author Richard Palmer
author2 D. M. Foster
R. Ferrando
Richard Palmer
format Journal article
container_title Nature Communications
container_volume 9
container_issue 1
publishDate 2018
institution Swansea University
issn 2041-1723
2041-1723
doi_str_mv 10.1038/s41467-018-03794-9
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering
document_store_str 1
active_str 0
description The equilibrium structures and dynamics of a nanoscale system are regulated by a complex potential energy surface (PES). This is a key target of theoretical calculations but experimentally elusive. We report the measurement of a key PES parameter for a model nanosystem: size-selected Au nanoclusters, soft-landed on amorphous silicon nitride supports. We obtain the energy difference between the most abundant structural isomers of magic number Au561 clusters, the decahedron and face-centred-cubic (fcc) structures, from the equilibrium proportions of the isomers. These are measured by atomic-resolution scanning transmission electron microscopy, with an ultra-stable heating stage, as a function of temperature (125–500 °C). At lower temperatures (20–125 °C) the behaviour is kinetic, exhibiting down conversion of metastable decahedra into fcc structures; the higher state is repopulated at higher temperatures in equilibrium. We find the decahedron is 0.040 ± 0.020 eV higher in energy than the fcc isomer, providing a benchmark for the theoretical treatment of nanoparticles.
published_date 2018-04-03T03:49:56Z
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score 11.012678

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