MUSE Microscopic approach to Understand Synergies in Electrocatalysis 

The Vision

The transition to a sustainable energy economy depends on our ability to produce "green" hydrogen through water splitting. However, the efficiency of this process is currently limited by our understanding of what happens at the catalyst’s surface during a reaction.

MUSE is a high-impact research project funded by the European Union (NextGenerationEU) under the PRIN 2022 program. Our goal is to bridge the gap between fundamental surface science and applied electrochemistry by developing a definitive microscopic understanding of how catalysts work at the atomic scale.

Our Approach

Most industrial catalysts are complex and non-uniform, making it difficult to pinpoint exactly where and why a reaction occurs. MUSE addresses this by using model systems—perfectly controlled, ultrathin layers of materials that allow us to orchestrate and observe interactions between different active sites with unprecedented precision.

Our research strategy focuses on:

• Low-Dimensional Materials: Utilizing transition metal dichalcogenides (TMDCs) and ultrathin oxide films as versatile platforms.

• Single-Atom Catalysis (SAC): Designing materials where individual metal atoms are anchored to a support, maximizing efficiency and reducing the need for precious metals.

• Defect Engineering: Intentionally creating atomic-scale "imperfections" (vacancies) to tune the reactivity of the material.

Innovative Methodology

MUSE stands at the intersection of experimental physics and theoretical chemistry. We utilize a dual-pronged approach:

1. Advanced Microscopy: We have expanded traditional analysis beyond Scanning Tunneling Microscopy (STM) to include Atomic Force Microscopy (AFM). By using Operando EC-STM/AFM, we can "see" the catalyst changing and identify transient phases in real-time while the reaction is happening in a liquid environment.

2. Predictive Modeling: The University of Torino (UNITO) provides state-of-the-art DFT (Density Functional Theory) simulations. This allows us to create "electronic fingerprints" of our materials, ensuring that our experimental observations are backed by rigorous physical models.

From Model Systems to Applied Materials

While our foundations lie in fundamental science, MUSE is deeply committed to real-world applications. We have expanded our scope to include self-standing 2D materials, such as Layered Double Hydroxides (LDH) and chemically exfoliated MoS₂ nanosheets. This allows us to transfer the knowledge gained from "perfect" model surfaces to scalable, high-performance materials for the next generation of electrolyzers.

The Team

MUSE is a collaborative effort between two leading Italian research units:

• University of Padova (UNIPD): Led by Prof. Stefano Agnoli (Project PI), focusing on material synthesis, defect engineering, and advanced operando characterization.

• University of Torino (UNITO): Led by Prof. Anna Maria Ferrari, focusing on theoretical modeling and the simulation of electronic and structural properties