10 datasets found

This dataset contains the data presented in the figures of pulbished paper "Bifunctional oxygen electrocatalyst based on Fe, Co, and nitrogen co-doped graphene-coated alumina...

This dataset contains the data presented in the figures of the published paper "Bifunctional Oxygen Electrocatalysis on Mixed Metal Phthalocyanine-Modified Carbon Nanotubes...

This dataset contains the data presented in the figures of the published paper "Bimetal Phthalocyanine-Modified Carbon Nanotube-Based Bifunctional Catalysts for Zinc-Air...

This dataset includes the computational workflows of a density functional theory based study of the oxygen evolution reaction (OER) on a manganese oxide catalyst in presence and...

This dataset includes the full computational workflows of a proof-of-concept study of various possible mechanisms (standard and bifunctional ones) for oxygen evolution reaction...

We investigate the solvation effect of water on the overpotentials of the oxygen evolution reaction on rutile TiO2 by applying the thermodynamic integration method on atomistic...

The bifunctional mechanism for the oxygen evolution reaction (OER) involving two distinct reaction sites is studied through the computational hydrogen electrode method for a set...

We investigate the solvation effect of water on the overpotentials of the oxygen evolution reaction on rutile TiO2 by applying the thermodynamic integration method on atomistic...

The outstanding performance of NiOOH/FeOOH-based oxygen evolution reaction (OER) catalysts is rationalized in terms of a bifunctional mechanism involving two distinct active...

This dataset includes the full computational workflows of a density functional theory based thermodynamics model for the overpotential of the oxygen evolution reaction (OER) on...