Theoretical and applied materials science: physico-mathematical modeling of surface phenomena in low-dimensional solid-state structures

  • Modeling of formation of structure and electronic properties of metal oxide nanoclusters by the density functional theory.

  • Molecular dynamics simulations of the formation processes of growth morphology and structure of metal-oxide nanoclusters which formed from erosion laser plasma in chemically active environment.

  • Reactive laser ablation synthesis of metal oxide nanopowders and core-shell structures on their basis.

  • Physicochemical properties of nanopowder metal oxides during gases adsorption.

  • Sensory properties of nanopowder metal oxides and development of gas sensors on their basis.

  • Growth, structure, and physical properties of HgCdTe-based p–n junctions for IR-device applications.

  • Spectral down-shifting converters based on quantum dot-polymer nanocomposites for photovoltaic applications.