Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites

All The Catalytic Active Sites of MoS2 for Hydrogen Evolution.

MoS2 presents a promising low-cost catalyst for the hydrogen evolution reaction (HER), but the understanding about its active sites has remained limited. Here we present an unambiguous study of the catalytic activities of all possible reaction sites of MoS2, including edge sites, sulfur vacancies, and grain boundaries. We demonstrate that, in addition to the well-known catalytically active edge...

Identification and Quantification of the Active Sites for Hydrogen Evolution on MoS2

Widely available active sites on Ni2P for electrochemical hydrogen evolution--insights from first principles calculations.

We present insights into the mechanism and the active site for hydrogen evolution on nickel phosphide (Ni2P). Ni2P was recently discovered to be a very active non-precious hydrogen evolution catalyst. Current literature attributes the activity of Ni2P to a particular site on the (0001) facet. In the present study, using Density Functional Theory (DFT) calculations, we show that several widely a...

Structure dependent active sites of NixSy as electrocatalysts for hydrogen evolution reaction.

Structure effects of NiS and Ni3S2 nanoparticles were investigated for their electrocatalytic activity in the hydrogen evolution reaction in both acid and alkaline media. Owing to the different atomic configurations and crystalline structures, there is a hydrogen adsorption energy difference, which induces a difference in the activity. From density functional theory calculations and experimenta...

Recent advances in unveiling active sites in molybdenum sulfide-based electrocatalysts for the hydrogen evolution reaction

Hydrogen has received significant attention as a promising future energy carrier due to its high energy density and environmentally friendly nature. In particular, the electrocatalytic generation of hydrogen fuel is highly desirable to replace current fossil fuel-dependent hydrogen production methods. However, to achieve widespread implementation of electrocatalytic hydrogen production technolo...