New electrocatalyits over 2D materials for water electrolysis

• Grant number: 25/13922-0
• Support Opportunities: Regular Research Grants
• Start date: October 01, 2025
• End date: September 30, 2026
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Ernesto Chaves Pereira de Souza
• Grantee: Ernesto Chaves Pereira de Souza
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
• City of the host institution: São Carlos
• Associated research grant: 17/11986-5 - Generation and storage of New Energy: bringing technological development for the country, AP.PCPE

Abstract

Green hydrogen production via water electrolysis using proton exchange membrane water electrolyzers (PEMWE) faces significant challenges due to the high cost and scarcity of platinum-based catalysts. This project proposes innovative approaches for the development of alternative, efficient, and durable electrocatalysts for the Hydrogen Evolution Reaction (HER) in acidic media. One strategy involves the synthesis of cobalt phosphide nanoparticles encapsulated in a carbon matrix (CoP@C), using metal-organic frameworks (MOFs) as precursors. These structures will be anchored on high-performance conductive supports - reduced graphene oxide (rGO) and graphitic carbon nitride (g-C¿N¿) - to enhance catalytic activity and stability. In parallel, the project investigates the synthesis of bimetallic carbide heterostructures (MoxW¿¿¿C) supported on graphene, with systematic variation of the Mo:W molar ratio to fine-tune the hydrogen adsorption energy, assisted by Density Functional Theory (DFT) calculations. The materials will be synthesized via thermal carburization and extensively characterized using advanced techniques (XRD, TEM, XPS), followed by comprehensive electrochemical evaluation. The project aims to identify optimal compositions and structures that provide the best balance between catalytic activity, kinetics, and long-term stability, offering rational design guidelines for low-cost catalysts for scalable green hydrogen production. (AU)