Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates

Adsorption of molecules at surfaces is at the basis of many processes in chemistry. Here the authors propose an approach to determine the adsorption energies of different chemical species on a variety of solid surfaces based on fundamental and accessible properties of adsorbate and surface atoms.

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Main Authors:	Wang Gao, Yun Chen, Bo Li, Shan-Ping Liu, Xin Liu, Qing Jiang
Format:	article
Language:	EN
Published:	Nature Portfolio 2020
Subjects:	Science Q
Online Access:	https://doaj.org/article/8284881a8983415da4c244082d6e052d
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spelling	oai:doaj.org-article:8284881a8983415da4c244082d6e052d2021-12-02T15:37:08ZDetermining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates10.1038/s41467-020-14969-82041-1723https://doaj.org/article/8284881a8983415da4c244082d6e052d2020-03-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-14969-8https://doaj.org/toc/2041-1723Adsorption of molecules at surfaces is at the basis of many processes in chemistry. Here the authors propose an approach to determine the adsorption energies of different chemical species on a variety of solid surfaces based on fundamental and accessible properties of adsorbate and surface atoms.Wang GaoYun ChenBo LiShan-Ping LiuXin LiuQing JiangNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Wang Gao Yun Chen Bo Li Shan-Ping Liu Xin Liu Qing Jiang Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
description	Adsorption of molecules at surfaces is at the basis of many processes in chemistry. Here the authors propose an approach to determine the adsorption energies of different chemical species on a variety of solid surfaces based on fundamental and accessible properties of adsorbate and surface atoms.
format	article
author	Wang Gao Yun Chen Bo Li Shan-Ping Liu Xin Liu Qing Jiang
author_facet	Wang Gao Yun Chen Bo Li Shan-Ping Liu Xin Liu Qing Jiang
author_sort	Wang Gao
title	Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
title_short	Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
title_full	Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
title_fullStr	Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
title_full_unstemmed	Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
title_sort	determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/8284881a8983415da4c244082d6e052d
work_keys_str_mv	AT wanggao determiningtheadsorptionenergiesofsmallmoleculeswiththeintrinsicpropertiesofadsorbatesandsubstrates AT yunchen determiningtheadsorptionenergiesofsmallmoleculeswiththeintrinsicpropertiesofadsorbatesandsubstrates AT boli determiningtheadsorptionenergiesofsmallmoleculeswiththeintrinsicpropertiesofadsorbatesandsubstrates AT shanpingliu determiningtheadsorptionenergiesofsmallmoleculeswiththeintrinsicpropertiesofadsorbatesandsubstrates AT xinliu determiningtheadsorptionenergiesofsmallmoleculeswiththeintrinsicpropertiesofadsorbatesandsubstrates AT qingjiang determiningtheadsorptionenergiesofsmallmoleculeswiththeintrinsicpropertiesofadsorbatesandsubstrates
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Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates

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