Members of the group:
Galashev Alexander Yevgenyevich, Professor – the head of the scientific group.
Nekrasov Kirill Aleksandrovich, PhD in Physics, senior researcher
Rakhmanova Oksana Rashitovna, PhD in Physics, researcher
Ivanichkina Ksenija Andreevna, PhD student, junior researcher
Vorobjev Alekseyi Stanislavovich, PhD student, junior researcher
The first project is "Fundamentals of electrochemical synthesis of new silicon-based electrode materials" (RSF Project № 16-13-00061).
Comprehensive study of silicene films by classical molecular dynamics and DFT.
The main results:
1. Properties of the silicene film on substrates (C, Al, Cu, Ni, Ag) was studied.
2. The lithium ion transit through silicene channel was studied.
3. The intercalation and deintercalation of lithium into the silicene channel was studied.
4. Currently, modeling of changes in the properties of silicene after transmutation nuclear doping is being carried out.
The second project is "Proryv" (http://proryv2020.ru/).
The main areas of research:
1. Investigation of the process of reduction of uranium dioxide to metallic uranium using classical molecular dynamics and DFT modeling.
2. Selection of the optimal design of the electrolyzer for reprocessing spent nuclear fuel using model calculations in Comsol and Ansis packages.
The third project is "Stability and electronic properties of new materials based on two-dimensional structures: MoS2, SnS2, phosphorus" (№ 18–10–3–31).
The aim of this work is to study the structural changes and changes in the electronic properties of the MoS2, SnS2 and phosphorus layers on various configurations of carbon substrates, as well as the stability of these films in the temperature range from 250 K to 550 K using both classical and ab initio molecular dynamics methods.
