International cooperation develops new materials for the production of green hydrogen

International cooperation develops new materials for the production of green hydrogen

The Research Council of Finland has granted nearly 490,000 euros to the consortium project, which seeks to find new materials for the production of green hydrogen. Appropriate materials enable the more efficient production of hydrogen. At the University of Jyväskylä, the project brings together mutually reinforcing expertise from the fields of computational electrocatalysis and high-performance computing. The research focuses on innovative nanoporous chiral covalent organicframework structures, which consist merely of common elements, and which have been reported to decompose water efficiently.

"The project explores in detail how carbon structures, spin selectivity introduced by chirality, water confinement to nanopores, and electrode potential influence the reactivity of water splitting," says Professor Karoliina Honkala from the University of Jyväskylä. "A more sustainable future requires many diverse efforts and cooperation. The project combines computational modelling and experimental collaboration to provide microscopic information on water splitting in porous carbon structures," Honkala continues.

Multidisciplinary international cooperation

The computer simulations will be performed using the LUMI EuroHPCsupercomputer and the GPAW software. The GPU capabilities of GPAW will be developed by the project consortium partners from CSC - IT Centre for Science.

"The development of the GPAW software benefits all users of this software," says Jussi Enkovaarafrom CSC. "Modern supercomputers are largely based on graphics processing units (GPU), and it is therefore important that scientific software can make use of them effectively."

The project also includes close experimental cooperation with Spanish (University of Vigo)and Portuguese (the International Iberian Nanotechnology Laboratory) research teams as well as code development cooperation with a Danish (Technical University of Denmark) research team.

In addition to the Research Council of Finland, the project is funded by the University of Jyväskylä and CSC - IT Centre for Science. The project term is from 1 January 2025 to 31 December 2027.

For more information:

• Professor Karoliina Honkala, [email protected], +358 40 805 3686
• Jussi Enkovaara, [email protected], +358 50 381 9038

Karoliina Honkala