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A force field for the interaction of water with TiO
2
surfaces
Mozhgan Alimohammadi
,
Kristen A. Fichthorn
Chemical Engineering
Research output
:
Contribution to journal
›
Article
›
peer-review
29
Scopus citations
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2
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Keyphrases
Rutile
100%
Force Field
100%
TiO2 Surface
100%
Anatase
75%
Molecular Dynamics Simulation
50%
(110) Surface
50%
Binding Energy
25%
Aqueous Environment
25%
Hydrogen Bonds (H-bonds)
25%
Surface Coverage
25%
Dissociative Adsorption
25%
Density Profile
25%
(001) Surface
25%
First-principles Density Functional Theory
25%
Bandura
25%
Ab Initio Molecular Dynamics
25%
Water Surface
25%
Adsorbed Water
25%
Molecular Adsorption
25%
Chemistry
Molecular Dynamics
100%
Titanium Dioxide
100%
Titanium Oxide
100%
Binding Energy
33%
First Principle
33%
Density Functional Theory
33%
Hydrogen Bonding
33%
Surface Water
33%
Dissociative Adsorption
33%
Monolayers
33%
Molecular Adsorption
33%
Physics
Molecular Dynamics
100%
Field Theory (Physics)
100%
First Principle
33%
Surface Water
33%
Binding Energy
33%
Density Functional Theory
33%
Material Science
Titanium Oxide
100%
Surface (Surface Science)
100%
Density
33%
Monolayers
16%
Hydrogen Bonding
16%
Molecular Adsorption
16%