Aug 8, 2023 · Therefore, based on surface state analysis via surface Pourbaix diagrams and dipole moment analysis based on electric field simulations, we propose a new framework to analyze the ORR performance of ZrN, which effectively incorporates the pH effects. According to surface Pourbaix diagram calculations, the ZrN surface was found to be further ...

Sep 21, 2023 · A group of researchers have unraveled the mysteries behind a recently identified material—zirconium nitride (ZrN)—that helps power clean energy reactions. Their proposed framework will help ...

Surface Pourbaix diagram analysis identifies the hydroxyl-covered ZrN surface under ORR conditions. Credit: Chemical Science (2023). DOI: 10.1039/D3SC01827J 1/4

surface Pourbaix diagrams and dipole moment analysis based on electric eld simulations, we propose a new framework to analyze the ORR performance of ZrN, which effectively incor-porates the pH effects. According to surface Pourbaix diagram calculations, the ZrN surface was found to be further oxidized

To explore the origin of ORR performance, the surface Pourbaix diagram for ZrN(100) was calculated (Fig. 3(a)). Under alkaline ORR conditions (pH = 13) and 0.8 V RHE, ZrN(100) is predicted to be covered by 1 ML HO*.

Sep 21, 2023 · A group of researchers have unraveled the mysteries behind a recently identified material - zirconium nitride (ZrN) - that helps power clean energy reactions. Their proposed framework will help future designs for transition metal nitrides, paving a …

ZrN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms.

Jul 26, 2023 · A group of researchers have unraveled the mysteries behind a recently identified material—zirconium nitride (ZrN) —that helps power clean energy reactions. Their proposed framework will help future designs for transition metal nitrides, paving a …

Aug 30, 2023 · Recent pioneering studies found that zirconium nitride (ZrN) with low upfront capital cost can exhibit high activity, even surpassing that of Pt in alkaline oxygen reduction reaction (ORR). However, the origin of its superior ORR activity was not well understood.

ZrN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing ZrN6 octahedra.