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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Nature Portfolio
2020
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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) |
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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 |
_version_ |
1718386243302064128 |