Research of Department of Physics on the graphene-electrolyte interface achieves success in M1 evaluation
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The research article of the members of our department — Dr. Jan Dočkal, Prof. Martin Lísal, and Doc. Filip Moučka—titled “Molecular Dynamics of Graphene-Electrolyte Interface: Interfacial Solution Structure and Molecular Diffusion” was evaluated as exceptionally successful within the framework of the so-called M1 module. The M1 module represents an expert assessment of the quality and contribution of the best results in Czech science.
The study, which was published in the impacted journal Journal of Physical Chemistry C (IF 5.3), provides fundamental insights in the field of molecular simulations. As of October 7, 2025, the article has already been cited in 40 scientific papers, including prestigious journals such as the Journal of the American Chemical Society (IF 14.4) and Nano Letters (IF 9.6), which demonstrates its international significance.
In the article, the authors presented a new methodology for the quantitative analysis of the network of hydrogen and non-covalent bonds between particles in a solution. This innovative approach, which is independent of traditional criteria, enabled them to obtain key findings on hydration dynamics and to precisely define hydration numbers. The team’s findings significantly contributed to understanding how variations in local electric charge density influence the structure at the electrode interface.
The original article laid the groundwork for further research, which has been expanded upon in seven subsequent publications and contributed to the success of projects supported by the Czech Science Foundation.
Dočkal, J., Lísal, M., & Moučka, F. (2019). Molecular Dynamics of Graphene-Electrolyte Interface: Interfacial Solution Structure and Molecular Diffusion. Journal of Physical Chemistry C, 123, 26379, https://doi.org/10.1021/acs.jpcc.9b07487
