Theory‐Guided Design of Surface‐Enhanced Ni–Mn Diatomic Site Catalysts for Efficient Seawater Electrolysis via the Degradation of High Ionization Potential Organic Pollutants
Year: 2025
Type: article
Abstract: In response to energy shortages and hard‐to‐degrade chemical pollution, especially high ionization potential (IP) organic pollutants, this study developed a novel photoelectrocatalyst, Ni‐Mn@OBN, for degrading IP pollutants in seawater and generating hydrogen. Incorporating Ni–Mn dual atoms into an O‐doped boron nitride (OBN) framework, Ni‐Mn@OBN, shows excellent stability and HER performance. Density functional theory (DFT) analysis revealed its low Gibbs free energy change (Δ G H* = 0.03 eV) for HER, outperforming Pt (111). Achieving an ultralow overpotential of 43.8 mV at 500 mA cm⁻ 2 under AM 1.5G, simulated light surpasses commercial Pt/C catalysts. High IP pollutants enhance hydrogen evolution rates, indicating a synergistic effect. Theoretical calculations elucidated the interplay between seawater electrolytes and high IP values on the photoelectrocatalytic performance. Ni‐Mn@OBN demonstrated excellent stability and a solar‐to‐hydrogen (STH) efficiency of 3.72%, offering a sustainable solution for marine pollution control and clean energy production.
Authors: Xudong Hu, Shuo Cheng, Usman Farooq, Izaz Ul islam, Xinhai Wang
Institutions: Henan University, Yanbian University
Language: English
Field: Energy
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4409229097