A Knowledge-Based Molecular Single-Source Precursor Approach to Nickel Chalcogenide Precatalysts for Electrocatalytic Water, Alcohol, and Aldehyde Oxidations.

Dasgupta, Basundhara; Yao, Shenglai; Mondal, Indranil; Mebs, Stefan; Schmidt, Johannes; Laun, Konstantin; Zebger, Ingo; Dau, Holger et al. · ACS Nano · 2024

basic_science · Level V

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Abstract

The development and comprehensive understanding of nickel chalcogenides are critical since they constitute a class of efficient electro(pre)catalysts for the oxygen evolution reaction (OER) and value-added organic oxidations. This study introduces a knowledge-based facile approach to analogous NiE (E = S, Se, Te) phases, originating from molecular β-diketiminato [Ni<sub>2</sub>E<sub>2</sub>] complexes and their application for OER and organic oxidations. The recorded activity trends for both target reactions follow the order NiSe > NiS > NiTe. Notably, NiSe displayed efficient performance for both OER and the selective oxidation of benzyl alcohol and 5-hydroxymethylfurfural, exhibiting stability in OER for 11 days under industrially pertinent conditions. Comprehensive analysis, including quasi <i>in situ</i> X-ray absorption and Raman spectroscopy, in combination with several <i>ex situ</i> techniques, revealed a material reconstruction process under alkaline OER conditions, involving chalcogen leaching. While NiS and NiSe experienced full chalcogen leaching and reconstruction into Ni<sup>III/IV</sup> oxyhydroxide active phases with intercalated potassium ions, the transformation of NiTe is incomplete. This study highlights the structure-activity relationship of a whole series of analogous nickel chalcogenides, directly linking material activity to the availability of active sites for catalysis. Such findings hold great promise for the development of efficient electrocatalysts for a wide range of applications, impacting various industrial processes and sustainable energy solutions.