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

Adsorption is essential for many processes on surfaces; therefore, an accurate prediction of adsorption properties is demanded from both fundamental and technological points of view. Particularly, identifying the intrinsic determinants of adsorption energy has been a long-term goal in surface scienc...

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Publicado en:Nat Commun
Main Authors: Gao, Wang, Chen, Yun, Li, Bo, Liu, Shan-Ping, Liu, Xin, Jiang, Qing
Formato: Artigo
Idioma:Inglês
Publicado: Nature Publishing Group UK 2020
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7058040/
https://ncbi.nlm.nih.gov/pubmed/32139675
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-14969-8
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