Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation

Understanding the dynamic evolution of the catalysts’ structure under reaction conditions is crucial in heterogeneous catalysis. Here the authors use ab initio molecular dynamics simulations to show an anomalous decrease in reaction free energies and barriers on dynamical sub-nanometer Au clusters s...

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Autores principales:	Juan-Juan Sun, Jun Cheng
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2019
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/3d1e5f42d1474979a41ad87c224c5f8a
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spelling	oai:doaj.org-article:3d1e5f42d1474979a41ad87c224c5f8a2021-12-02T16:57:40ZSolid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation10.1038/s41467-019-13509-32041-1723https://doaj.org/article/3d1e5f42d1474979a41ad87c224c5f8a2019-11-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-13509-3https://doaj.org/toc/2041-1723Understanding the dynamic evolution of the catalysts’ structure under reaction conditions is crucial in heterogeneous catalysis. Here the authors use ab initio molecular dynamics simulations to show an anomalous decrease in reaction free energies and barriers on dynamical sub-nanometer Au clusters supported on MgO(001).Juan-Juan SunJun ChengNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-7 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Juan-Juan Sun Jun Cheng Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
description	Understanding the dynamic evolution of the catalysts’ structure under reaction conditions is crucial in heterogeneous catalysis. Here the authors use ab initio molecular dynamics simulations to show an anomalous decrease in reaction free energies and barriers on dynamical sub-nanometer Au clusters supported on MgO(001).
format	article
author	Juan-Juan Sun Jun Cheng
author_facet	Juan-Juan Sun Jun Cheng
author_sort	Juan-Juan Sun
title	Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
title_short	Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
title_full	Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
title_fullStr	Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
title_full_unstemmed	Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
title_sort	solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/3d1e5f42d1474979a41ad87c224c5f8a
work_keys_str_mv	AT juanjuansun solidtoliquidphasetransitionsofsubnanometerclustersenhancechemicaltransformation AT juncheng solidtoliquidphasetransitionsofsubnanometerclustersenhancechemicaltransformation
_version_	1718382496310099968

Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation

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