Year 2025

• Exploring the role of carbon nitrides (melem, melon, g-C3N4) in enhancing photoelectrocatalytic properties of TiO2 nanotubes for water electrooxidation

  Publication

  • M. Wtulich
  • A. Skwierawska
  • S. Ibragimov
  • A. Lisowska–Oleksiak

  - Applied Surface Science - Year 2025

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• Theoretical design of nanocatalysts based on (Fe2O3)n clusters for hydrogen production from ammonia

  Publication

  • S. Ibragimov
  • A. Lyalin
  • S. Kumar
  • Y. Ono
  • T. Taketsugu
  • M. Bobrowski

  - JOURNAL OF CHEMICAL PHYSICS - Year 2025

  The catalytic activities of high-spin small Fe(III) oxides have been investigated for efficient hydrogen production through ammonia decomposition, using the artificial force induced reaction method within the framework of density functional theory with the B3LYP hybrid exchange–correlation functional. Our results reveal that the adsorption free energy of NH3 on (Fe2O3 )n (n = 1–4) decreases with increasing cluster size up to n...

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