DFT Simulation of the Water Molecule Interaction with the (00l) Surface of Montmorillonite

DFT Simulation of the Water Molecule Interaction with the (00l) Surface of Montmorillonite

Montmorillonite is one of the principal mineralogical phases in clay minerals, where its interaction with water and other molecules represents one of the most important aspects and properties for basic science and specific applications. In fact, montmorillonite has many uses in various scientific an...

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Bibliographic Details
Main Authors: Gianfranco Ulian, Daniele Moro, Giovanni Valdrè
Format: Article
Language:English
Published: MDPI AG 2021-05-01
Series:Minerals
Subjects:
montmorillonite
(001) surface
Na-MMT and Ca-MMT
water adsorption
density functional theory
Online Access:https://www.mdpi.com/2075-163X/11/5/501

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