International cooperation develops new materials for the production of green hydrogen

The Ģ��ֱ�� and CSC – IT Centre for Science have received substantial funding from the Research Council of Finland for a joint project aiming at developing technology for the production of green hydrogen by finding new materials to advance the hydrogen economy. The multidisciplinary international research cooperation is being carried out with Spanish, Portuguese and Danish partners.

Kemian laitoksen professori Karoliina Honkala

Professor Karoliina Honkala studies hydrogen catalyst chemistry at the JYU Department of Chemistry and is involved in the development of catalysts for the production of green hydrogen, among other things.

Published

21.1.2025

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 Ģ��ֱ��, 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 organic framework 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 Ģ��ֱ��. “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 EuroHPC supercomputer 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 Enkovaara from 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 Ģ��ֱ�� and CSC – IT Centre for Science. The project term is from 1 January 2025 to 31 December 2027.

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