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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Autores principales: Wang Gao, Yun Chen, Bo Li, Shan-Ping Liu, Xin Liu, Qing Jiang
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea: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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