Modulating interfacial charge distribution of NiSe nanoarrays with NiFe-LDH nanosheets for boosting oxygen evolution reaction

Developing efficient, robust non-noble electrodes for the water oxidation in electrocatalytic water splitting is challenging because the physicochemical properties of the electrocatalysts can extremely affect their OER catalytic activity. The interface engineering of materials is promising for modulating the surface properties of catalysts. Herein, vertically aligned NiSe nanoarrays were prepared in situ using a facile solvothermal selenization technique. NiSe@NiFe-LDH nanointerfaces were produced by electrodeposition. The remarkable OER electrocatalytic performance of NiSe@NiFe-LDH heterojunction was evidenced by the overpotentials for driving 100 and 500 mA cm−2, which are only 232 and 302 mV, respectively. Theoretical arithmetic and experimental tests revealed that the prepared electrode possessed high OER catalytic activity, may be ascribed to charge redistribution between the interfaces of NiSe and NiFe-LDH. The theoretical calculation showed that the generated electron transfer enable the electronic structure to be sufficiently modulated, which perfected the binding energy of the *OOH intermediates, issuing in a reduction of the reaction obstacle of the rate-determining procedure, and improved the OER activity consequently. This work proposes an effective and promising solution to fabricate non-precious metal-based heterostructure materials with excellent catalytic properties for energy storage and transduction.