Machine learning potential for modelling H 2 adsorption/diffusion in MOFs with open metal sites

Metal-organic frameworks (MOFs) incorporating open metal sites (OMS) have been identified as promising sorbents for many societally relevant-adsorption applications including CO capture, natural gas purification and H storage. This has been ascribed to strong specific interactions between OMS and th...

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Veröffentlicht in:	Chemical science (Cambridge) 2024-04, Vol.15 (14), p.5294-5302
Hauptverfasser:	Liu, Shanping, Dupuis, Romain, Fan, Dong, Benzaria, Salma, Bonneau, Mickaele, Bhatt, Prashant, Eddaoudi, Mohamed, Maurin, Guillaume
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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