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A phase-resolved analysis of NiO-derived materials relevant to the oxygen evolution reaction, combining ground-state DFT + U calculations with operando and in situ Raman spectroscopy is presented. It demonstrates that the computed vibrational and electronic properties serve as reference points, enabling meaningful correlation with the Raman response of structurally complex, electrochemically conditioned catalysts. By systematically dissecting the signatures of NiO, Ni(OH)2, and NiOOH across distinct crystallographic configurations, they have developed a consistent framework that correlates different NiO phases relevant to the OER, clarifying their metastability.

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This work highlights the critical role of the metal support layer in modulating the electrocatalytic behavior of NiO thin films for the oxygen evolution reaction. Through comparative analysis of Pt, Au, and Ni support metals, we demonstrate that the interfacial electronic structure governed by band alignment, charge transfer resistance, and surface chemistry directly impacts the kinetic and thermodynamic aspects of OER activity.

Awardees: Jan Philipp Hofmann, Bettina Wagner, and Corinna Caspar-Terizakis

Recognizing their efforts in systematically supporting doctoral scientists, the Unite! award was addressed to Jan Philipp Hofmann, Bettina Wagner, and Corinna Caspar-Terizakis from TU Darmstadt.