Inorganic Chemistry· 2026Q1
Dual-Functional Interface Molecular Engineering of Conductive MOF Nanoarrays for Oxygen Evolution Reaction
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- 2026year
Short summary
A Ni(TCNQ)2-FcDA composite catalyst achieves 10 mA cm–2 at a low overpotential of 226 mV for the oxygen evolution reaction, due to dual-functional interface molecular engineering that facilitates proton transport and optimizes electronic structure.
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Key points
- A Ni(TCNQ)2-FcDA composite catalyst was constructed using dual-functional interface molecular engineering.
- FcDA's carboxyl groups aid interfacial proton transport, while Ni–Fe coupling modulates Ni active site electronic structure.
- The catalyst achieves 10 mA cm–2 at 226 mV overpotential in 1.0 mol L–1 KOH, with a 30.4 mV dec–1 Tafel slope and >24 h stability.
- Theoretical calculations show an induced downshift in the Ni 3d orbital d-band center, lowering the OH to O conversion energy barrier.
AI-generated from the title and abstract; the full text is not read.
Abstract
Abstract Drawing conceptual inspiration from the inorganic–organic hybrid architecture of natural Photosystem II, this work presents a dual-functional interface molecular engineering strategy. A Ni(TCNQ)2-FcDA nanoarrays (NAs) composite catalysts were constructed by anchoring ferrocene dicarboxylic acid (FcDA), featuring both proton-relay and redox activities, onto conductive Ni(TCNQ)2 nanoarrays (Ni(TCNQ)2 NAs). Structural characterizations indicate that carboxyl groups in FcDA participate in interfacial proton transport, while Ni–Fe coupling synergistically modulates the electronic structure of the active Ni centers. Theoretical calculations indicate that this interfacial engineering induces a significant downshift in the Ni 3d orbital d-band center, effectively lowering the energy barrier for the OH to O conversion step. Consequently, the catalyst achieves a current density of 10 mA cm–2 at an overpotential of only 226 mV in 1.0 mol L–1 KOH, with a low Tafel slope of 30.4 mV dec–1 and stability exceeding 24 h. Kinetic analysis further reveals a concerted proton-coupled electron transfer (PCET) mechanism. This work presents a strategy for synergistically addressing mass transport bottlenecks and electronic structure mismatches in conductive MOFs via dual-functional molecular interface engineering.
The authors' abstract, as published at the source. Inorganic Chemistry, 2026 · DOI ↗
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Field: Renewable Energy, Sustainability and the Environment
Renewable Energy, Sustainability and the EnvironmentEnergy