Incorporation of Ag in Co9S8-Ni3S2 for Predominantly Enhanced Electrocatalytic Activities for Oxygen Evolution Reaction: A Combined Experimental and DFT Study

Chempluschem. 2024 May 17:e202400235. doi: 10.1002/cplu.202400235. Online ahead of print.

Abstract

Electrodeposition of abundant metals to fabricate efficient and durable electrodes play a viable role in advancing renewable electrochemical energy technologies. Herein, we deposit Co9S8-Ag-Ni3S2@NF onto nickel foam (NF) to form Co9S8-Ag-Ni3S2@NF as a highly efficient electrode for oxygen evolution reaction (OER). The electrochemical investigation verifies that the Co9S8-Ag-Ni3S2@NF electrode exhibits superior electrocatalytic activity toward OER because of its nanoflowers' open-pore morphology, reduced overpotential (η10 = 125 mV), smaller charge transfer resistance, long-term stability, and a synergistic effect between various components, which allows the reactants to be more easily absorbed and subsequently converted into gaseous products during the water electrolysis process. DFT calculation also reveals that the introduction of Ag (222) surface into the Co9S8 (440)-Ni3S2 (120) system increases the electronic density of states per unit cell of a system and significantly reduces the energy barriers of intermediates for OER, leading to enhanced electrocatalytic activity for OER. This study showcases the innovation of employing trimetallic nanomaterials immobilized on a conductive, continuous porous three-dimensional network formed on a nickel foam (NF) substrate as a highly efficient catalyst for OER.

Keywords: Density Functional Theory; Electrocatalyst; Renewable electrochemical energy; Trimetallic nanomaterials; oxygen evolution reaction.