Water oxidation, or the oxygen evolution reaction (OER), which combines two oxygen atoms
from two water molecules and releases one oxygen molecule, plays the key role by …

1.1 Background Developing efficient energy conversion devices that are in line with the
conservation of the natural environment is a critical challenge for modern society. Fossil …

Catalytic water splitting to hydrogen and oxygen is considered as one of the convenient
routes for the sustainable energy conversion. Bifunctional catalysts for the electrocatalytic …

We study the oxygen reduction (ORR) and the oxygen evolution reaction (OER) and based
on previous obtained mechanistic insight we provide a unified general analysis of the two …

The water oxidation reaction, the most important reaction for hydrogen production and other
sustainable chemistry, is efficiently catalyzed by the Mn4CaO5 cluster in biological …

Water oxidation is considered an important reaction to attain sustainable energy systems.
Inspired by the biological Mn4CaO5 cluster, considerable effort has been devoted to …

Fundamental aspects of the oxygen evolution reaction mediated by metal oxide catalysts are
presented. The oxygen evolution reaction is a critical bottleneck in the generation of …

Hematite (α-Fe2O3) core–cocatalyst shell nanoarchitectures with ultrathin hybrid shells are
promising to maximize photoelectrochemical (PEC) water oxidation performance of Fe2O3 …

Electrochemical production of hydrogen, facilitated in electrolyzers, holds great promise for
energy storage and solar fuel production. A bottleneck in the process is the catalysis of the …

There are known errors in oxidation energies of transition metal oxides caused by an
improper treatment of their d-electrons. The Hubbard U is the computationally cheapest …