Understanding the Oxygen Evolution Reaction on a Two‐Dimensional NiO2 Catalyst

• DOI: 10.1002/celc.201700445
• Publication Date: 2017-08-04T14:06:36Z
• Authors: Jeremie Zaffran; Maytal Caspary To...
• Keywords: Non-blocking I/O; Oxygen evolution; Nickel oxide; Reactivity

Abstract Solar water splitting is a promising technology to store energy in chemicals but the suffers from lack of efficient catalysts. Nickel oxyhydroxide (NiOOH) an outstanding catalyst for oxygen evolution reaction (OER). NiOOH composed partially hydrogenated nickel oxide (NiO 2 ) two‐dimensional (2D) sheets that are stacked together. Owing recent advancements fabrication it possible isolate single layer material. Such 2D catalytic systems extremely promising, especially due wider exposed surface. However their reactivity not completely understood, and density functional theory (DFT) appropriate tool address issue. In current paper we use DFT model several OER mechanisms. We show activity these materials limited defect sites edges, as usually assumed, rather many centers available on NiO surface itself. addition, will provide evidence inhibiting effect hydrogen ad‐atoms such layers, thus supporting necessity operating highly basic conditions. The new insights providing here reactivity, detailed understanding mechanisms regarding processes, be key further developments tailored Indeed, main outcome our work, found significantly more reactive than bulk