Atomic adsorption on graphene with a single vacancy is analyzed over the first six rows of the periodic table of elements.

The RGO-modified Ni electrode exhibited outstanding activity towards HER. DFT calculations indicate that H atoms, formed upon H ₂ O discharge on Ni, spill onto the RGO, enabling continuous clearance of Ni-active sites.

Hydrogen evolution reaction (HER) is one of the most important reactions in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER actually shaped current electrochemistry because it was in focus of active research for so many years (and it still is). The number of catalysts investigated for HER is immense, and it is not possible to overview them all. In fact, it seems that the complexity of the field overcomes the complexity of HER. The aim of this review is to point out some of the latest developments in HER catalysis, current directions and some of the missing links between a single crystal, nanosized supported catalysts and recently emerging, single-atom catalysts for HER.

V ₂ O ₅ is accurately described using the PBE+ U +D2 method which is used to analyze the effects of V ₂ O ₅ doping with 3d elements

Reactivity of the oxidized graphene basal plane is analyzed, revealing scaling relations and the link to the electronic structure.