Open research questions in Electrocatalysts for Energy Conversion

What the literature leaves open

• The intrinsic relationship between capacitance type and catalytic selectivity remains largely unexplored - Conventional studies often overemphasize the improvement of capacitance

  Capacitance‐Type Governance Rather Than Magnitude: MOF‐Derived Zn/P Co‐Doped Ni 3 S 2 for Selective Urea Electrocatalysis · 2026 · DOI

• The current devices face challenges in acquiring highly stable oxygen evolution reaction electrocatalysts under harsh industrial conditions. There is a need for highly stable and efficient electrochemical water-splitting devices.

  In Situ Reconstruction of High‐Entropy Heterostructure Catalysts for Stable Oxygen Evolution Electrocatalysis under Industrial Conditions · 2024 · DOI

• Exploration of oxygen vacancies in high‐entropy oxides toward electrocatalysis fields. Extension of this universal method to other spinel oxides with different configuration entropies.

  High Entropy‐Driven Role of Oxygen Vacancies for Water Oxidation · 2024 · DOI

• The lack of a method to introduce and regulate oxygen vacancies in high-entropy oxides. The limited understanding of the role of oxygen vacancies in high-entropy oxides.

  High Entropy‐Driven Role of Oxygen Vacancies for Water Oxidation · 2024 · DOI

• The conventional Ni3+-catalyzing pathway has a strong interaction between accumulated Ni3+ and *COO. The need for a novel Ni3+/Ni2+ mediated pathway for UOR to reduce energy consumption.

  Heterojunction‐Induced Rapid Transformation of Ni3+/Ni2+ Sites which Mediates Urea Oxidation for Energy‐Efficient Hydrogen Production · 2024 · DOI

• The paper identifies the gap in the current research on bifunctional electrocatalysts for rechargeable zinc-air batteries. The paper highlights the need for efficient oxygen evolution reaction and oxygen reduction reaction electrocatalysts.

  Electronic Structure Engineering in NiFe Sulfide via A Third Metal Doping as Efficient Bifunctional OER/ORR Electrocatalyst for Rechargeable Zinc‐Air Battery · 2024 · DOI

• Further investigation of the multi‐interface engineering of the Ni/Y 2 O 3 electrode, - Optimization of the catalyst structure and composition for improved performance

  Multi‐Interface Engineering of Self‐Supported Nickel/Yttrium Oxide Electrode Enables Kinetically Accelerated and Ultra‐Stable Alkaline Hydrogen Evolution at Industrial‐Level Current Density · 2024 · DOI

• The development of highly active and robust non-noble-metal electrocatalysts for alkaline hydrogen evolution reaction at industrial-level current density is the key for industrialization of alkaline water electrolysis. The existing metallic Ni and Pt/C(20%) catalysts do not meet the requirements.

  Multi‐Interface Engineering of Self‐Supported Nickel/Yttrium Oxide Electrode Enables Kinetically Accelerated and Ultra‐Stable Alkaline Hydrogen Evolution at Industrial‐Level Current Density · 2024 · DOI

• The study does not provide a comprehensive comparison with other existing electrocatalysts. The experimental results are limited to alkaline freshwater and alkaline seawater environments. The study relies on theoretical calculations and does not provide experimental validation for all aspects.

  Borate Anion‐Intercalated NiV‐LDH Nanoflakes/NiCoP Nanowires Heterostructures for Enhanced Oxygen Evolution Selectivity in Seawater Splitting · 2024 · DOI

• The competing selectivity challenges from anodic oxygen evolution reaction and chlorine evolution reaction hinder the development of seawater splitting. The lack of efficient electrocatalysts for oxygen evolution reaction in seawater splitting. The need for a novel design strategy to address these challenges.

  Borate Anion‐Intercalated NiV‐LDH Nanoflakes/NiCoP Nanowires Heterostructures for Enhanced Oxygen Evolution Selectivity in Seawater Splitting · 2024 · DOI

• Further research on the effect of V-doping ratio on the morphology of Co2P4O12, - Investigation of the electrochemical performances at different temperatures, - Study of the long-term stability of V-Co2P4O12/CC

  Tuning Morphology and Electronic Structure of Cobalt Metaphosphate Via Vanadium‐Doping for Efficient Water and Urea Splitting · 2024 · DOI

• The need for efficient multifunctional electrocatalysts for water and urea splitting. The limited performance of existing electrocatalysts. The potential of vanadium-doping to enhance the electrocatalytic activity and stability of cobalt metaphosphate.

  Tuning Morphology and Electronic Structure of Cobalt Metaphosphate Via Vanadium‐Doping for Efficient Water and Urea Splitting · 2024 · DOI

• The traditional post-metal loading strategy leads to stability issues. The need for a simple and effective method to construct helical M-N-C materials. The lack of understanding of the effect of the curved structure on the electrocatalytic activity.

  Single‐Atomic Co‐N‐C Sites Anchored on Helical Carbonaceous Nanotubes for the Oxygen Reduction Reaction · 2024 · DOI

• This has led to conflicting reports, while conventional simulations fail to capture the ORR mechanism under such complexity, creating a significant knowledge gap.

  Why high-spin wins: “Spin state locking” governs the oxygen reduction mechanism of Fe-N-C catalysts · 2026 · DOI

• ABSTRACT Electrocatalytic seawater hydrogen evolution is fundamentally limited by the rigidity of interfacial water structures and static electron distributions at catalyst surfaces.

  Bias‐Responsive S‐Scheme Heterojunctions Reconfigure Interfacial Water for Efficient Seawater Hydrogen Evolution · 2026 · DOI

• Although cation doping and oxygen vacancy (O v ) engineering are fundamental strategies, their individual contributions to activating the LOM mechanism remain unclear.

  Decoupling the Effects of Ruthenium Sites and Oxygen Vacancies on the Mechanism Regulation of Acidic Water Oxidation · 2026 · DOI

• ABSTRACT Coupling the adsorbate evolution mechanism (AEM) and lattice oxygen mechanism (LOM) for oxygen evolution reaction (OER), along with tuning interfacial water structure for hydrogen evolution reaction (HER), offers a promising yet underexplored strategy for achieving efficient and stable overall water splitting.

  Zwitterionic ‐Molecule‐Driven Synergistic Coupling of Dual OER Pathways and Interfacial Water Dynamics for Efficient Alkaline Water Electrolysis · 2026 · DOI

• While previous studies have primarily documented macroscopic performance degradation and attributed ammonia poisoning to competitive adsorption or site blocking, the underlying electronic mechanism-particularly how ammonia alters the intrinsic catalytic selectivity of Pt-remains unexplored.

  Ammonia Poisoning Behaviors on Pt/C Catalyst Layer in PEMFC · 2026 · DOI

• Study of dynamic reconstruction of active sites in spinel oxide-catalyzed oxygen evolution reactions (OER) is of great importance; however, the mechanism of how morphology modulation affects surface reconstruction and the performance of OER is still not well understood.

  Regulation of Reconstruction Sites in Spinel NiCo 2 O 4 via Morphology Modulation to Enhance OER Performance · 2026 · DOI

• Atomically dispersed non-noble metal–nitrogen-carbon electrocatalysts could derive a four-electron oxygen reduction reaction (ORR) described via a typical adsorbate evolution mechanism (AEM), but their kinetics are limited by the linear scaling relationship (LSR) between the *OOH and *OH.

  Synergistic Strong-Weak Adsorption Coupling in the FeN 6 –CoN 4 Dual-Site Modulates Oxygen Reduction Pathways via Oxygen Adsorbate Evolution-to-Dissociation Transition · 2026 · DOI

• Understanding and controlling surface reconstruction is critical for advancing oxygen evolution reaction (OER) electrocatalysis, yet precise strategies to steer this dynamic process and generate highly active hydroxyl species remain elusive.

  Mixed-Valence-Controlled Surface Reconstruction Unlocks Heterophase Synergy in NiFe LDH for Efficient Water Oxidation · 2026 · DOI

• High-entropy alloys (HEAs) offer compositional flexibility to overcome these limitations; however, rational design principles and scalable synthesis methods are still lacking.

  Descriptor-Driven Designed FeCoNiMoV High-Entropy Alloys for Exceptional Oxygen Evolution Activity · 2026 · DOI

• Despite significant progress in various electrochemical systems, the regulatory mechanisms of PDE in energy and mass transfer and the lifespan extension of electrolysis systems, particularly in water electrolysis (WE) for hydrogen production, remain insufficiently explored.

  Pulsed Dynamic Water Electrolysis: Mass Transfer Enhancement, Microenvironment Regulation, and Hydrogen Production Optimization · 2026 · DOI

• Although research on the precise loading of single atoms on nano-islands continues to advance, existing reviews have not yet established a closed-loop cognitive framework encompassing "models-synthesis-high stability mechanisms-high activity essence-applications.

  Bright Sparks of Single-Atom and Nano-Islands in Catalysis: Breaking Activity-Stability Trade-Off · 2026 · DOI

• However, the efficiency of hydrogen evolution reaction is limited by the adhesion of gas bubbles on electrode surfaces, which blocks active sites, increases overpotential, and limits mass transfer.

  Advances in Surface/Interface Engineering of Under-Water Superaerophobic Electrodes for Hydrogen Evolution Reaction by Manipulating of Bubbles · 2026 · DOI

Most-cited papers in Electrocatalysts for Energy Conversion

• Combining theory and experiment in electrocatalysis: Insights into materials design · Science · 2017 · 11,351 citations
• Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts · Science · 2007 · 5,943 citations
• A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles · Science · 2011 · 5,148 citations
• Improved Oxygen Reduction Activity on Pt 3 Ni(111) via Increased Surface Site Availability · Science · 2007 · 4,303 citations
• In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co 2+ · Science · 2008 · 4,033 citations
• High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt · Science · 2011 · 3,872 citations
• Nanoporous BiVO 4 Photoanodes with Dual-Layer Oxygen Evolution Catalysts for Solar Water Splitting · Science · 2014 · 3,118 citations
• Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li + -Ni(OH) 2 -Pt Interfaces · Science · 2011 · 3,086 citations
• Iron-Based Catalysts with Improved Oxygen Reduction Activity in Polymer Electrolyte Fuel Cells · Science · 2009 · 3,032 citations
• Water photolysis at 12.3% efficiency via perovskite photovoltaics and Earth-abundant catalysts · Science · 2014 · 2,439 citations

Most recent work

• Decoupling the Effects of Ruthenium Sites and Oxygen Vacancies on the Mechanism Regulation of Acidic Water Oxidation · ACS Nano · 2026
• Dual-atom engineering and alloying strategies to trigger multi-site synergies for boosting oxygen reduction and Zn-air battery · Journal of Energy Storage · 2026
• Balancing Competitive Intermediate Behaviors on D‐f Hybridized Ni‐MOF‐Derived Catalysts for Alkaline Hydrogen Oxidation Reaction · Advanced Functional Materials · 2026
• Engineering Interfacial Electronic Polarization in Pt@S–Co 3 O 4– x for Superior Glycerol-Assisted Water Electrolysis · ACS Sustainable Chemistry & Engineering · 2026
• High-performance self-supporting FeCoNiCrMo HEA catalyst for alkaline hydrogen evolution · Journal of Power Sources · 2026
• Geminal Cl-Bridged Dual-Fe-Atom Catalyst for Efficient and Stable Oxygen Reduction Reaction · Journal of the American Chemical Society · 2026
• Bioinspired tandem catalyst with topological ordered water networks accelerates alkaline hydrogen evolution electrocatalysis · Applied Catalysis B: Environmental · 2026
• Engineering Acid-Stable OER Electrocatalysts: Recent Advances in Main-Group Element Doping of Ir- and Ru-Based Oxides · ACS Catalysis · 2026
• Regulation of Reconstruction Sites in Spinel NiCo 2 O 4 via Morphology Modulation to Enhance OER Performance · ACS Catalysis · 2026
• Machine Learning-Guided Design of High-Entropy FeCoCrMnCu Layered Double Hydroxides for Efficient Oxygen Evolution in Alkaline Media · ACS Catalysis · 2026

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