The field of surface science provides a unique approach to understanding bulk, surface and
interfacial phenomena occurring during TiO 2 photocatalysis. This review highlights, from a …

Defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen
vacancies in particular, play a major role in a variety of technological applications. This is the …

TiO 2 is exploited in a number of applications, including solar power, catalysis, gas sensing,
and corrosion protection, where surface properties are central to operation. This commercial …

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 technological importance of TiO2 has led to a broad effort aimed at understanding the
elementary steps that underlie catalytic and photocatalytic reactions. The most stable …

A comprehensive phase diagram of lowest-energy structures and compositions of the rutile
TiO 2 (110) surface in equilibrium with a surrounding gas phase at finite temperatures and …

In this paper, geometric bulk parameters, bulk moduli, energy gaps and relative stabilities of
the TiO 2 anatase and rutile phases were determined from periodic DFT calculations. Then …

IrO2 is one of the most active catalysts for the oxygen evolution reaction (OER) and remains
the only known stable OER catalyst in acidic conditions. As a first step in understanding the …

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 …

O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface
precovered with Au1 and Au2⁠: The importance of spin conservation | The Journal of Chemical …