Development of two-dimensional transition metal compound based efficient electrocatalyst for green H2 production

Project Information

2DTMCH2

Grant agreement ID: 101063410

DOI

10.3030/101063410

Project closed

EC signature date 29 August 2022

Start date 1 February 2023

End date 28 February 2025

Funded under

• Marie Skłodowska-Curie Actions (MSCA)

Total cost

No data

EU contribution

€ 166 278,72

Coordinated by

VYSOKA SKOLA CHEMICKO-TECHNOLOGICKA V PRAZE
Czechia

Periodic Reporting for period 1 - 2DTMCH2 (Development of two-dimensional transition metal compound based efficient electrocatalyst for green H2 production)

Reporting period: 2023-02-01 to 2025-02-28

Summary of the context and overall objectives of the project

Context and Overall Objectives of the Project:
The world faces an energy crisis and environmental pollution due to fossil fuel reliance. Hydrogen production via water splitting offers a clean solution, but challenges like catalyst cost and performance hinder widespread adoption. This project focuses on two-dimensional (2D) transition metal compounds (TMCs), such as WS2/Ti3C2, Mo2S3-WS2, and TM1/3NbS2, as bifunctional catalysts for electrochemical and photochemical water splitting. By leveraging the unique properties of 2D materials, the project aims to develop efficient, scalable catalysts, advancing sustainable hydrogen production and integrating renewable energy systems like solar cells.

Project Pathway to Impact:
This project delivers efficient, cost-effective catalysts to accelerate clean energy transitions. By demonstrating the potential of advanced 2D materials and TMCs as bifunctional catalysts, this project addresses key barriers such as catalyst stability, activity, and scalability. The successful integration of these materials into practical water-splitting devices, such as electrolyzers coupled with renewable energy sources like solar power, could pave the way for scalable, zero-emission hydrogen production technologies.
The high current densities and low cell voltages achieved by the Mo2S3-WS2 and Fe1/3NbS2-based electrolyzers, along with their long-term stability, showcase the scalability and durability of these materials for real-world applications.

Political and Strategic Context:
Hydrogen production aligns with global climate goals and renewable energy priorities. By addressing catalyst efficiency and cost, this project supports net-zero emissions and energy security objectives. The focus on scalable catalysts contributes to the EU Green Deal, hydrogen strategies, and global efforts to transition to sustainable energy systems.

Conclusion:
This project advances clean energy through innovative TMC-based catalysts, offering scalable solutions for hydrogen production. The integration with renewable systems enhances sustainability and economic viability, driving the transition to a greener energy landscape.

Work performed from the beginning of the project to the end of the period covered by the report and main results achieved so far

This project focused on developing and testing advanced 2D transition metal compound (TMC) catalysts for efficient hydrogen production via water splitting, exploring materials such as WS2/Ti3C2, Mo2S3-WS2, and TM1/3NbS2. Key activities and achievements are outlined below:
1. Synthesis of 2D TMC Catalysts
Synthesized WS2/Ti3C2 and Mo2S3-WS2 using chemical methods, enhancing charge transfer and catalytic efficiency.
Developed TM1/3NbS2 (TM = Fe, V, Cr, Mn, and Co) via chemical vapor transport, incorporating various metals to optimize performance.
2. Electrochemical Testing
WS2/Ti3C2: Demonstrated low overpotentials (92-260 mV for HER, 430-690 mV for OER at 100-500 mA/cm²) and photocatalytic activity (~33 μA/cm² for HER, ~120 μA/cm² for OER).
Mo2S3-WS2: Achieved low overpotentials (145 mV HER, 420 mV OER electro; 92 mV HER, 310 mV OER photo) and high current density (1 A/cm² at 2.07 V, RT).
Fe1/3NbS2: Delivered exceptional bifunctional activity with stable high current densities (0.5 - 2 A/cm²) and low cell voltages, maintaining performance over 700 hours (RT) and 220 hours (60 °C).
Long-Term Stability: An AWE single-stack system in a zero-gap configuration, utilizing Mo2S3-WS2 electrodes, demonstrated exceptional stability over 500 hours of continuous operation at 0.5 mA/cm² and that integrated with Fe1/3NbS2 maintained stable potentials at high current density of 1000 mA/cm² for extended durations of 700 hours at room temperature and 220 hours at 60 °C.
3. Integration with Renewable Energy Systems
• Coupled Mo2S3-WS2 electrolyzer with silicon solar cells, achieving ~0.8 A/cm² at 2 V, showcasing renewable energy compatibility.
4. Photocatalytic Activity Exploration
• Photocatalytic Testing: This project marked the first demonstration of photocatalytic hydrogen production using WS2/Ti3C2 and Mo2S3-WS2 TMCs.

Outcomes and Achievements
The project successfully demonstrated the following key outcomes:
Efficient Catalysts: Developed 2D TMCs exhibited superior bifunctional performance.
High Performance: Mo2S3-WS2 and Fe1/3NbS2 electrolyzers demonstrated high stability, scalability, and efficiency.
Renewable Energy Integration: Showcased feasibility of coupling hydrogen production with solar energy.
Photocatalysis: Pioneered light-driven hydrogen production with WS2/Ti3C2 and Mo2S3-WS2 (Also, first to report in these materials).

Conclusion
The project achieved significant advancements in 2D TMC catalysts, demonstrating high performance, stability, and scalability for hydrogen production, including integration with renewable energy systems. These developments position the materials as promising solutions for clean, sustainable energy.

Progress beyond the state of the art and expected potential impact (including the socio-economic impact and the wider societal implications of the project so far)

The results of this project significantly advance the state-of-the-art in hydrogen production through water splitting, particularly through the development of efficient, durable, and scalable 2D transition metal compound catalysts. These materials have demonstrated enhanced catalytic performance, long-term stability, and successful integration with electrolyzer systems and renewable energy sources, positioning them as strong candidates for large-scale, sustainable hydrogen production systems.
The project demonstrated the long-term stability of the developed catalysts, a crucial factor for large-scale hydrogen production. The Mo2S3-WS2-based and Fe1/3NbS2-based electrolyzers showed excellent performance, with stability of Fe1/3NbS2-based electrolyzer extending over 700 hours at 1000 mA/cm² and 220 hours at 60 °C durations with minimal degradation of around 0.01%. One of the most notable achievements was the successful integration of Mo2S3-WS2-based electrolyzer with renewable energy sources like silicon solar cells.
Key Needs to Ensure Further Uptake and Success
While the results of this project are promising, several key needs must be addressed to ensure the successful uptake of these technologies. Future efforts should focus on optimizing catalyst performance, active site density, and overpotential reduction for large-scale use. Improving photocatalytic efficiency and light utilization is critical. Collaboration with industry and research institutions will bridge gaps between lab-scale and industrial applications, accelerating commercialization.

(a) STEM images of Mo2S3-WS2 (b) Stability test of the Mo2S3-WS2 electrolyzer at 2 V with solar cell

EDX spectrum and corresponding elemental mapping images of Fe1/3NbS2

(a) Linear polarization curves and (b) Long-term stability tests of Fe1/3NbS2/NF AWE at 1000 mA/cm2

(a) Schematic illustration and (b) polarization curve of Mo2S3-WS2/NF zero-gap AWE