Theoretical insights into the hydrophobicity of low index CeO2 surfaces
@article{Fronzi2019TheoreticalII, title={Theoretical insights into the hydrophobicity of low index CeO2 surfaces}, author={Marco Fronzi and Mohammad Hussein Naseef Assadi and Dorian A. H. Hanaor}, journal={Applied Surface Science}, year={2019} }
27 Citations
The apparent surface free energy of rare earth oxides is governed by hydrocarbon adsorption
- ChemistryiScience
- 2022
The water/ceria(111) interface: Computational overview and new structures.
- PhysicsThe Journal of chemical physics
- 2020
A new 1.0 ML structure is presented that is both the lowest in energy published and features a hydrogen-bond network extending the surface in one-dimension, contrary to what has been found in the literature, and contrary towhat has been expected due to the large bulk ceria cell dimension.
Enhancement of CeO2 Silanization by Spontaneous Breakage of Si–O Bonds through Facet Engineering
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Facet engineering is a new method of materials design with considerable potential for many technological applications. The present work uses DFT calculations to understand how this strategy can be…
Doping-induced modulation of electronic, optical and wetting properties of CeO2
- Materials Science, PhysicsJournal of Physics and Chemistry of Solids
- 2022
Recently, CeO2 as well as other Rare-Earth Oxides (REOs) have become known as water repelling materials which enables their usage in glass industry. In this study, we investigate electronic, optical…
New insights into hydrophobicity at nanostructured surfaces: Experiments and computational models
- Materials Science, BiologyNanomaterials and Nanotechnology
- 2022
Calculation methods including quantum, density functional theory, and molecular modeling bring novel perspectives to the study of hydrophobicity at nanostructured surfaces to explore theoretical and geometric effects as well as those of surface feature geometry on hydrophobia.
First-principles molecular dynamics investigation of ceria/silica sliding interface toward functional materials design for chemical mechanical polishing process
- Materials Science, Chemistry
- 2020
Polar surface structure of oxide nanocrystals revealed with solid-state NMR spectroscopy
- Materials Science, PhysicsNature Communications
- 2019
Detailed structural information about the polar facets of ceria nanocubes is determined by using 17O and 1H solid-state NMR spectroscopy and dynamic nuclear polarization, combined with density functional theory calculations.
Strong texture tuning along different crystalline directions in glass-supported CeO2 thin films by ultrasonic spray pyrolysis
- Materials ScienceScientific reports
- 2021
It is demonstrated that under proper tuning conditions, the ultrasonic spray pyrolysis technique enables one to obtain glass-supported polycrystalline CeO2 films with noticeable texture along both the (100) and (111) directions, as well as with randomly oriented crystallites (no texture).
Catalysis by shapely nanocrystals of the Ce1−xYbxO2−x/2 mixed oxides — Synthesis and phase stability
- Materials ScienceMaterials Characterization
- 2019
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