Now showing items 1-3 of 3

    • 2d slab models of nanotubes based on tetragonal tio2 structures: Validation over a diameter range 

      Lisovski, Oleg; Piskunov, Sergei; Bocharov, Dmitry; Kenmoe, Stephane (Multidisciplinary Digital Publishing Institute (MDPI), 2021)
      One-dimensional nanomaterials receive much attention thanks to their advantageous properties compared to simple, bulk materials. A particular application of 1D nanomaterials is pho-tocatalytic hydrogen generation from ...
    • 2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range 

      Lisovski, Oleg; Piskunov, Sergei; Bocharov, Dmitry; Kenmoe, Stéphane (Elsevier B.V., 2020)
      Currently a lot of attention is paid to 1D nanomaterials due to their advantages in comparison to bulk materials. They offer broad possibilities of application, including photocatalytic water splitting. Simulations of water ...
    • Water Splitting on Multifaceted SrTiO3 Nanocrystals: Computational Study 

      Sokolov, Maksim; Mastrikov, Yuri A.; Zvejnieks, Guntars; Bocharov, Dmitry; Kotomin, Eugene A.; Krasnenko, Veera (Multidisciplinary Digital Publishing Institute (MDPI), 2021)
      Recent experimental findings suggest that strontium titanate SrTiO3 (STO) photocatalytic activity for water splitting could be improved by creating multifaceted nanoparticles. To understand the underlying mechanisms and ...