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

Abstract

AbstractElectrodeposition of abundant metals to fabricate efficient and durable electrodes indicate a viable role in advancing renewable electrochemical energy tools. Herein, we deposit Co9S8‐Ag‐Ni3S2@NF on nickel foam (NF) to produce Co9S8‐Ag‐Ni3S2@NF as a exceedingly proficient electrode for oxygen evolution reaction (OER). The electrochemical investigation verifies that the Co9S8‐Ag‐Ni3S2@NF electrode reveals better electrocatalytic activity to 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 route. Density functional theory (DFT) calculation as well reveals the introduction of Ag (222) surface into the Co9S8 (440)‐Ni3S2 (120) structure increases the electronic density of states (DOS) per unit cell of a system and increases the electrocatalytic activity of OER by considerably lowering the energy barriers of its intermediates. This study provides 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 proficient catalyst for OER.