Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination.
Journal
The journal of physical chemistry. C, Nanomaterials and interfaces
ISSN: 1932-7447
Titre abrégé: J Phys Chem C Nanomater Interfaces
Pays: United States
ID NLM: 101299949
Informations de publication
Date de publication:
29 Sep 2022
29 Sep 2022
Historique:
received:
06
07
2022
revised:
26
08
2022
medline:
20
9
2022
pubmed:
20
9
2022
entrez:
26
10
2023
Statut:
epublish
Résumé
The stability of adsorbed water films on mineral surfaces has far-reaching implications in the Earth, environmental, and materials sciences. Here, we use the basal plane of phlogopite mica, an atomically smooth surface of a natural mineral, to investigate water film structure and stability as a function of two features that modulate surface hydrophilicity: the type of adsorbed counterions (Na, K, and Cs) and the substitution of structural OH groups by F atoms. We use molecular dynamics simulations combined with in situ high-resolution X-ray reflectivity to examine surface hydration over a range of water loadings, from the adsorption of isolated water molecules to the formation of clusters and films. We identify four regimes characterized by distinct adsorption energetics and different sensitivities to cation type and mineral fluorination: from 0 to 0.5 monolayer film thickness, the hydration of adsorbed ions; from 0.5 to 1 monolayer, the hydration of uncharged regions of the siloxane surface; from 1 to 1.5 monolayer, the attachment of isolated water molecules on the surface of the first monolayer; and for >1.5 monolayer, the formation of an incipient electrical double layer at the mineral-water interface.
Identifiants
pubmed: 37881644
doi: 10.1021/acs.jpcc.2c04751
pmc: PMC10597534
doi:
Types de publication
Journal Article
Langues
eng
Pagination
16447-16460Informations de copyright
© 2022 American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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