Research costs application for "CompEL: Computational Electrochemistry to Resolve Electrocatalytic Oxygen Reduction" (Research cost application for CompEL)
Main funder
Funder's project number: 346575
Funds granted by main funder (€)
- 240 000,00
Funding program
Project timetable
Project start date: 01/09/2021
Project end date: 31/12/2024
Summary
Oxygen reduction reaction (ORR) is the central reaction in electrocatalytic energy conversion and storage applications, such as fuel cells and metal-air batteries, as well as in the electrosynthesis e.g. of hydrogen peroxide. Practical ORR applications require the use and development of active, selective, and stable catalysts but rational catalyst development has been prohibited by the complex ORR mechanism and reaction environment at electrochemical interfaces. The goal of the proposed research is to disentangle this complexity and to understand the ORR chemistry by developing and applying next-generation computational methods. In the CompEL project 1) new computational methods and models for chemistry at electrochemical interfaces as a function of pH and potential will be developed, 2) the role of pH, electrode potential, and electrode material will be unravelled using advanced modelling, and 3) tools and principles to design better (ORR) electrocatalysts will be developed.
