Last week, Dr. Martin Matas from University of West Bohemia in Pilsen visited the Computational Materials Science group, where he was a postdoc between 2023 and 2-25. Together with Bo Han and David Holec, Martin has discussed his latest work on modelling methane pyrolysis as well as Bo’s progress on modelling H storage in doped MgH2. This was also a great opportunity to celebrate a joint paper recently published in International Journal of Hydrogen Energy.
B. Han, J. Wang, M. Matas, D. Zhang, Y. Jia, Y. Du, D. Holec: "First-principles study of Ti-decorated graphene-based single-atom catalyst for MgH2 dehydrogenation". Int. J. Hydrogen Energy, 207(153379), 153379 (2026). DOI: 10.1016/j.ijhydene.2026.153379
