Photocatalysis has been widely applied in various areas, such as solar cells, water splitting,
and pollutant degradation. Therefore, the photochemical mechanisms and basic principles …

The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …

A central issue in understanding photocatalytic water splitting on a stoichiometric or
defective nanostructured oxide surface is its adsorption mode and related reactivity. More …

We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

Understanding the surface chemistry of TiO2 is key to the development and optimisation of
many technologies, such as solar power, catalysis, gas sensing, medical implantation, and …

The field of heterogeneous photocatalysis has grown considerably in the decades since
Fujishima and Honda's ground-breaking publications on photoelectrochemistry on TiO2. 1 …

Oxygen vacancies on metal oxide surfaces have long been thought to play a key role in the
surface chemistry. Such processes have been directly visualized in the case of the model …

The preparation of thin oxide films on metal supports is a versatile approach to explore the
properties of oxide materials that are otherwise inaccessible to most surface science …

Introducing a charge into a solid such as a metal oxide through chemical, electrical, or
optical means can dramatically change its chemical or physical properties. To minimize its …

When an oxygen atom is removed from the surface of rutile TiO2 (110), to make an oxygen
vacancy, two unpaired electrons are left in the oxide. We perform density functional …