Point defects are a universal feature of crystals. Their identification is addressed by
combining experimental measurements with theoretical models. The standard modelling …

The major challenge of photocatalytic water splitting, the prototypical reaction for the direct
production of hydrogen by using solar energy, is to develop low‐cost yet highly efficient and …

An approach is introduced to calculate the thermodynamic oxidation and reduction
potentials of semiconductors in aqueous solution. By combining a newly developed ab initio …

Oxygen evolution reaction (OER) catalysts that are earth-abundant and are active and stable
in acid are unknown. Active catalysts derived from Co and Ni oxides dissolve at low pH …

Transparent conducting oxides (TCOs) are an essential component in modern
optoelectronic devices, such as solar panels and touch screens. Their ability to combine …

The high cost and low abundance of indium has driven research to find In-free n-type
transparent conducting oxides (TCOs). La-doped cubic perovskite BaSnO 3 has been …

SnO2 is an abundant, low cost, natively n-type, wide band gap oxide, which can achieve
high conductivities due to facile donor do**. Realization of a p-type SnO2 would, however …

The reduction of the overall electrolysis potential to produce hydrogen is a critical target for
fabricating applicable hydrogen evolution cells. Sandwich‐structured Fe3O4/Au/CoFe‐LDH …

The role of X-ray based electron spectroscopies in determining chemical, electronic, and
magnetic properties of solids has been well-known for several decades. A powerful …

Defects dictate the properties of many functional materials. To understand the behaviour of
defects and their impact on physical properties, it is necessary to identify the most stable …