Dmitry Bocharov

C-, N-, S-, and Fe-Doped TiO₂ and SrTiO₃ Nanotubes for Visible-Light-Driven Photocatalytic Water Splitting: Prediction from First Principles

Sergei Piskunov, Oleg Lisovski, Jevgenijs Begens et al. · The Journal of Physical Chemistry C · 2015 · 113 citations

Engineering, Inorganic Photochemistry, Photo-electrochemical Cell +21

A first‐principles DFT study of UN bulk and (001) surface: Comparative LCAO and PW calculations

R. A. Évarestov, Andrei V. Bandura, M. V. Losev et al. · Journal of Computational Chemistry · 2008 · 44 citations

Ab Initio Computations of O and AO as well as ReO2, WO2 and BO2-Terminated ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) Surfaces

R. I. Eglitis, J. Purāns, Anatoli I. Popov et al. · Symmetry · 2022 · 44 citations · Full text

Engineering, Rumpling Computations, Chemistry +19

Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies

Dmitry Bocharov, Denis Gryaznov, Yuri F. Zhukovskii et al. · Journal of Nuclear Materials · 2010 · 37 citations · Full text

Uranium Mononitride Surface, Engineering, Surface Chemistry +10

DFT calculations of point defects on UN(001) surface

Dmitry Bocharov, Denis Gryaznov, Yuri F. Zhukovskii et al. · Surface Science · 2010 · 34 citations · Full text

Point Defects, Engineering, Physics +6