Supervisor: Doc. Mgr. Josef Mysliveček, Ph.D.
Status: Available
Abstract:
Electrochemical synthesis represents a key technology for efficient use of renewable electricity in chemical industries [1]. Among the electro-catalyzed reactions, electrooxidation of organic molecules is gaining increasing attention e.g. for its ability to provide valuable products in an environmentally-friendly way [2], [3]. Current development of catalysts for organic molecule electrooxidation relies on a vast number of empirical and mechanistic experimental studies, however, atomically resolved nature of active surface sites providing the catalyst activity and selectivity remains elusive.
The proposed Thesis aims at atomic-level identification of active surface sites for organic molecule electrooxidation by means of combined surface science and electrochemistry experiments [4]–[6]. Model catalyst samples on single crystalline metal substrates will be prepared and characterized by experimental methods of surface science that allow obtaining atomic-level control of catalyst chemical composition and morphology [7]. A focus will be on the controlled preparation of defect and bifunctional active sites that generally provide highest activity and selectivity. Upon quantification of the active sites, activity, selectivity and stability of the model catalysts in electrochemical reaction will be determined. For stable model catalysts, correlated information from surface science and electrochemical experiments will yield atomically resolved identification of the active sites.
The proposed Thesis will be performed at the Department of Surface and Plasma Science, Charles University in Prague, Czech Republic. The Thesis will be a part of a research project aimed at obtaining atomic-level insight into electrochemical conversion of organic molecules. For the purpose of the Thesis, a combined Scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS) and Low-energy electron diffraction (LEED) apparatus is available, equipped with in-situ electrochemical characterization of the samples.
References:
[1] V. R. Stamenkovic et al., “Energy and fuels from electrochemical interfaces,” Nat. Mater. 16, 57, 2017, doi:10.1038/nmat4738.
[2] Y. Holade et al., “Recent advances in the electrooxidation of biomass-based organic molecules for energy, chemicals and hydrogen production,” Catal. Sci. Technol. 10, 3071, 2020, doi:10.1039/C9CY02446H.
[3] M. P. J. M. van der Ham et al, “Electrochemical and Non-Electrochemical Pathways in the Electrocatalytic Oxidation of Monosaccharides and Related Sugar Alcohols into Valuable Products,” Chem. Rev. 124, 21, 11915, 2024, doi:10.1021/acs.chemrev.4c00261.
[4] N. M. Markovic and P. N. J. Ross, “Surface science studies of model fuel cell electrocatalysts,” Surf. Sci.Reports, 45, 117, 2002, doi:10.1016/S0167-5729(01)00022-X.
[5] A. R. Fairhurst et al., “Electrocatalysis: From Planar Surfaces to Nanostructured Interfaces,” Chem. Rev. 125, 1332, 2025, doi:10.1021/acs.chemrev.4c00133.
[6] F. Faisal et al.,“Electrifying model catalysts for understanding electrocatalytic reactions in liquid electrolytes,” Nat. Mater. 17, 592, 2018, doi:10.1038/s41563-018-0088-3.
[7] P. K. Samal, “Bridging Ultrahigh Vacuum and Electrochemistry to Unveil Redox and Electrocatalytic Properties of Noble Metals,” Ph.D. Thesis, Charles University, 2025.