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Updated: Jul 5, 2025

The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance

The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance

Published on: July 4, 2017

Aqueous Titania Interfaces.

Annabella Selloni¹

¹Department of Chemistry, Princeton University, Princeton, New Jersey, USA;

Annual Review of Physical Chemistry

|January 25, 2024

Summary

This summary is machine-generated.

Understanding liquid water interactions with titanium dioxide (TiO2) surfaces is crucial. Computational simulations reveal water

Keywords:

density functional theory machine learning potentials metal oxides molecular dynamics photocatalysis water

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The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance

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Synthesis and Reaction Chemistry of Nanosize Monosodium Titanate

Synthesis and Reaction Chemistry of Nanosize Monosodium Titanate

Published on: February 23, 2016

Area of Science:

Surface Science
Materials Chemistry
Physical Chemistry

Background:

Water-metal oxide interfaces are critical for applications like corrosion and photoelectrochemistry.
Titanium dioxide (TiO2) photocatalysis has driven extensive research into water-TiO2 interfaces.
Liquid water-TiO2 interfaces are vital for applications but less understood than water vapor interactions.

Purpose of the Study:

To review recent advances in atomistic understanding of interfacial water on TiO2 surfaces.
To focus on the nature of water (molecular or dissociated) at defect-free crystalline TiO2 surfaces.
To highlight the role of hydroxyls from water dissociation in TiO2 surface chemistry and photooxidation.

Main Methods:

Primarily computational simulations and theoretical studies.
Atomistic-level analysis of water structure and dynamics.
Investigation of low-index, defect-free crystalline TiO2 surfaces.

Main Results:

Detailed insights into the structure and dynamics of interfacial water on TiO2.
Characterization of water's molecular or dissociated state at the interface.
Identification of hydroxyl groups as key species affecting TiO2 surface chemistry.

Conclusions:

Computational studies are essential for understanding complex liquid water-TiO2 interfaces.
The dissociation of water into hydroxyls is a critical process at TiO2 surfaces.
Understanding these interfacial phenomena is key for advancing TiO2-based applications.