15 Years of Progress on Transition Metal-Based Electrocatalysts for Microbial Electrochemical Hydrogen Production: From Nanoscale Design to Macroscale Application

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15 Years of Progress on Transition Metal-Based Electrocatalysts for Microbial Electrochemical Hydrogen Production: From Nanoscale Design to Macroscale Application
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15 Years of Progress on Transition Metal-Based Electrocatalysts for Microbial Electrochemical Hydrogen Production: From Nanoscale Design to Macroscale Application - Nano-Micro Letters

Designing high-performance electrocatalysts is one of the key challenges in the development of microbial electrochemical hydrogen production. Transition metal-based (TM-based) electrocatalysts are introduced as an astonishing alternative for future catalysts by addressing several disadvantages, like the high cost and low performance of noble metal and metal-free electrocatalysts, respectively. In this critical review, a comprehensive analysis of the major development of all families of TM-based catalysts from the beginning development of microbial electrolysis cells in the last 15 years is presented. Importantly, pivotal design parameters such as selecting efficient synthesis methods based on the type of material, main criteria during each synthesizing method, and the pros and cons of various procedures are highlighted and compared. Moreover, procedures for tuning and tailoring the structures, advanced strategies to promote active sites, and the potential for implementing novel unexplored TM-based hybrid structures suggested. Furthermore, consideration for large-scale application of TM-based catalysts for future mass production, including life cycle assessment, cost assessment, economic analysis, and recently pilot-scale studies were highlighted. Of great importance, the potential of utilizing artificial intelligence and advanced computational methods such as active learning, microkinetic modeling, and physics-informed machine learning in designing high-performance electrodes in successful practices was elucidated. Finally, a conceptual framework for future studies and remaining challenges on different aspects of TM-based electrocatalysts in microbial electrolysis cells is proposed. Graphical Abstract

A research team led by Professor Bing-Jie Ni (University of New South Wales) and Professor Wenshan Guo (University of Technology Sydney) has published a comprehensive review in Nano-Micro Letters, summarizing fifteen years of progress on transition metal (TM)-based electrocatalysts for microbial electrochemical cells (MECs). This work systematically traces developments from nanoscale catalyst design to macroscale applications, offering a roadmap for advancing practical and sustainable microbial electrochemical hydrogen production.

Why This Review Matters

  • Catalyst Development Roadmap: The article highlights the evolution of TM-based electrocatalysts—including oxides, dichalcogenides, phosphides, carbides, nitrides, and hybrids—demonstrating advantages over noble metals and carbon-based systems.
  • Performance and Cost Balance: TM catalysts combine high activity, durability, and biocompatibility with abundance and low cost, directly addressing barriers to large-scale MEC adoption.
  • Scalability and Sustainability: By assessing techno-economic feasibility, life cycle impacts, and pilot-scale demonstrations, the review connects laboratory advances with industrial hydrogen production prospects.

Design Strategies and Mechanisms

  • Active Site Engineering: Techniques such as heteroatom doping, surface activation, and bandgap modulation reduce energy barriers and accelerate HER kinetics.
  • Hybrid Structures: Transition metals integrated with conductive carbons or alloy frameworks leverage synergistic effects to enhance stability and current density.
  • Macro-to-Micro Integration: The review emphasizes bridging synthesis design with real-world system requirements to ensure MEC applicability.

Mechanistic and Computational Insights

  • Reaction Kinetics: TM-based catalysts effectively reduce the Gibbs free energy of hydrogen intermediates, enabling faster HER processes.
  • Modeling and AI: Density functional theory, microkinetic modeling, and physics-informed machine learning are highlighted as transformative tools for accelerating catalyst discovery and optimization.

Applications and Future Outlook

  • Pilot-Scale Demonstrations: MECs with TM catalysts have shown improved hydrogen yields and economic feasibility in real wastewater treatment scenarios.
  • AI-Driven Design: Data-driven strategies are expected to guide scalable synthesis and predict optimal catalyst compositions.
  • Commercial Prospects: The integration of TM catalysts with techno-economic and environmental models provides a clear pathway toward industrial deployment of MEC-based hydrogen production.

By linking material innovation, mechanistic understanding, and application at scale, this review positions transition metal-based catalysts as a cornerstone for sustainable hydrogen technologies.

Stay tuned for more pioneering research from Professors Bing-Jie Ni, Wenshan Guo, and collaborators as they continue advancing microbial electrochemical systems for a green energy future.

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Electrochemistry
Physical Sciences > Chemistry > Physical Chemistry > Electrochemistry
Electrocatalysis
Physical Sciences > Materials Science > Materials for Energy and Catalysis > Electrocatalysis
Hydrogen Energy
Physical Sciences > Chemistry > Industrial Chemistry > Hydrogen Energy
Nanoscale Design, Synthesis and Processing
Physical Sciences > Materials Science > Nanotechnology > Nanoscale Design, Synthesis and Processing
Biological Chemistry
Physical Sciences > Chemistry > Biological Chemistry
  • Nano-Micro Letters Nano-Micro Letters

    Nano-Micro Letters is a peer-reviewed, international, interdisciplinary and open-access journal that focus on science, experiments, engineering, technologies and applications of nano- or microscale structure and system in physics, chemistry, biology, material science, and pharmacy.