Advanced Ru/Ni/WC@NPC Multi‐Interfacial Electrocatalyst for Efficient Sustainable Hydrogen and Chlor‐Alkali Co‐Production

• Published in: Advanced energy materials 2022-06, Vol.12 (21), p.n/a
• Main Authors: Salah, Abdulwahab, Zhang, Lunan, Tan, Huaqiao, Yu, Feiyang, Lang, Zhongling, Al‐Ansi, Nabilah, Li, Yangguang
• Format: Article
• Language: English
• Subjects: Adsorbed water; Adsorption; chlor‐alkali co‐production; Density functional theory; DFT; Electrocatalysts; Electrode materials; Electrolysis; Energy consumption; Energy of dissociation; Exothermic reactions; Free energy; Heat of formation; High temperature; Hydrogen; hydrogen evolution reaction; Hydrogen evolution reactions; Hydrogen production; Low carbon steels; Mathematical analysis; multi‐interface electrocatalysts; nickel; Ruthenium
• ISSN: 1614-6832; 1614-6840
• DOI: 10.1002/aenm.202200332

Rational design and construction of a new high‐efficiency hydrogen evolution electrocatalyst operating stably under high temperature, strong alkaline, and high salt conditions are the key challenges for realizing economically sustainable hydrogen generation and low energy consumption chlor‐alkali co‐production. Herein, according to requirements of hydrogen evolution reaction (HER) electrocatalysts under chlor‐alkali electrolysis conditions, a three‐component Ru/Ni/WC electrocatalyst with a weak exothermic effect for the water adsorption step (∆HH2O = −0.12 eV), low water dissociation energy barrier (ΔGb = 0.61 eV), and close‐to‐zero Gibbs free adsorption energy (∆GH* = −0.03 eV) is designed through density functional theory calculations. Under the guidance of theoretical calculations, a novel multi‐interface composite electrocatalyst is successfully prepared, denoted as Ru/Ni/WC@NPC (Ru wt.% = 4.13%). In a strongly alkaline medium, Ru/Ni/WC@NPC (Ru wt.% = 4.13%) records an excellent HER electrocatalytic activity with a very low overpotential (η10 = −3 mV) at 20 °C and even demonstrates exciting HER behavior at 90 °C (η10 = +2.8 mV). Most importantly, the electrochemical test under simulated chlor‐alkali electrolysis condition demonstrates better HER performance than the industrial cathode material of commercial 20% Pt/C and low carbon steel. Generally, this study reveals a new strategy and reference for constructing effective and robust HER electrocatalysts that match with the chlor‐alkali industry. A ternary Ru‐Ni‐WC electrocatalyst for high‐efficiency sustainable co‐production of hydrogen and chlor‐alkali with weak thermal effect of water absorption, low water dissociation energy barrier, and close‐to‐zero Gibbs free adsorption energy, is developed.