Tunable Built‐In Electric Field in Ru Nanoclusters‐Based Electrocatalyst Boosts Water Splitting and Simulated Seawater Electrolysis

• Published in: Advanced functional materials Vol. 34; no. 7
• Main Authors: Chen, Wenxia, Wei, Wei, Li, Fan, Wang, Yujie, Liu, Meng, Dong, Shuai, Cui, Jinhai, Zhang, Yongya, Wang, Rui, Ostrikov, Kostya (Ken), Zang, Shuang‐Quan
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc 01.02.2024
• Subjects: bifunctional electrocatalyst; built‐in electric field; Clean energy; Density functional theory; Electric fields; Electrocatalysts; Electrolysis; Electron transfer; Hydrogen evolution reactions; Hydroxides; industrial process conditions; Intermetallic compounds; Iron compounds; Nanoclusters; Nickel compounds; Oxygen evolution reactions; pH‐universal; Seawater; simulated seawater electrolysis; Simulation; Water splitting
• DOI: 10.1002/adfm.202310690
• ISSN: 1616-301X

The development of bifunctional electrocatalysts suitable for a wide pH range and seawater splitting under simulated industrial electrolysis conditions is expected to advance practical applications of clean hydrogen energy. Here, the study reports a built‐in electric field approach to assemble heterogeneous Ru nanoclusters (Ru NCs) anchored in P,O co‐doped NiFe layered double hydroxide bifunctional electrocatalysts (Ru NCs/P,O‐NiFe LDH) for overall water splitting. It is revealed that the BEF ensures electron enrichment via unidirectional electron transfer from P,O‐NiFe LDH to Ru nanoclusters due to the difference in the corresponding Fermi levels. The optimized Ru NCs/P,O‐NiFe LDH/NF shows excellent electrocatalytic activity toward hydrogen evolution reaction, oxygen evolution reaction, and overall water splitting in a wide pH range, as well as simulated seawater electrolysis under industry‐relevant conditions. The long‐term catalyst stability under high currents and industrial process temperatures is also demonstrated. Density functional theory calculations further confirm that the active sites at the BEF interface effectively reduce the energy barrier of water electrolysis, thereby facilitating the electrocatalytic processes. The Ru nanoclusters form a strong and stable interface with phytate‐modified NiFe LDH/NF under the dual action of phytic acid capture and BEF. The as‐formed BEF in Ru NCs/P,O‐NiFe LDH/NF causes efficient electron transfer from P,O‐NiFe LDH/NF to Ru NCs. Unexpectedly, the prepared Ru NCs/P,O‐NiFe LDH/NF exhibits outstanding electrocatalytic performance in pH‐universal water splitting and simulated seawater splitting.