Hydrogen Dynamics in Elementary Reactions on Molybdenum sulfide and carbide

Molybdenum Compunds, MoS2 and Mo(2)C are promising new catalysts for electrochemical applications, e.g. water electrolysers. It is planned to study several aspects of hydrogen dynamics in these materials using neutron scattering (ILL Grenoble), electrochemical spectroscopy (WH Recklinghausen) and nuclear reaction analysis (present proposal): hydrogen sorption, fast hydrogen diffusion under reaction conditions, hydrogen modes and substrate phonons as well as ortho-para-conversion of hydrogen on cold catalyst surfaces. Model systems of bulk materials, pure powder samples and electrochemical electrodes will be used. The expected results of these studies are diffusion parameters (binding sites, pathways, activation energies), and key parameters of structure and dynamics of the active surface. Since hydrogen sorption and the motion of several hydrogen species are involved, hydrogen concentrations profiles are required for the full interpretation of the neutron scattering results.

Funded by

  • Institut Laue-Langevin, Doktorandenstipendium (181_15): Hydrogen Dynamics in Elementary Reactions on Molybdenum Compounds


  • Kuznetsov V et al.: Neutron spectroscopy study of the diffusivity of hydrogen in MoS2. Phys. Chem. Chem. Phys. 2021 DOI: 10.1039/d0cp05136e


  • Büsra Karaoglu: Herstellung und Charakterisierung von Molybdäncarbid (Bachelor's thesis, 2021)
  • Alexander Graf: Development of experimental setups for adsorption and desorption studies (Bachelor's thesis, 2021)
  • Vitalii Kuznetsov: Hydrogen Dynamics in Elementary Reactions on Molybdenum Compounds (PhD thesis, 2022)