Arseniy Burov

PhD thesis: Computational study of charge transfer at interfaces in metal-ion batteries

Supervisor: Dmitry Aksyonov

IDC Committee members: Levchenko Sergey, Aleksandr Kvashnin, Aksyonov Dmitry

Biography: 

Education: 

Skolkovo Institute of Science and Technology (Diploma with distinction) 2020–2022

Program: MSc student, Materials Science. 

Master’s thesis: DFT study of Li+ charge transfer at Li/Li7La3Zr2O12 interfaces  

Moscow Institute of Physics and Technology (State University) 2016–2020

Program: BSc student, Department of General and Applied Physics.

Bachelor’s thesis: The study of the atomic volumes of the chemical elements under pressure via first-principle calculations

Ongoing research: 

Li-ion charge transfer at interface between solid-state electrolyte and electrodes 

Study of surface stability, reconstruction and charge transfer of electrode materials 

Study of charge transfer at interfaces at realistic scale (molecular dynamics with machine learning interatomic potentials) and conditions (constant potential)

Qualification:

Core knowledge: Solid-state physics, quantum mechanics, thermodynamics and statistical mechanics, density functional theory, computational chemistry, machine learning  

Software package: VASP, Wien2k, Quantum Espresso, LAMMPS, Phonopy, MLIP  

Programming languages: python, bash, C++

Publications

1. A.S. Burov, A.O. Boev, A.M. Abakumov, D.A. Aksyonov. “Mechanism of charge transfer at interfaces: A density functional theory study.” Physical Review B 109 (4), 045305. 2024

Grants

1. Next Generation Program: (Skoltech—MIT Joint Project) 2021-2022.
2. RSCF, project No. 23-73-30003. “Development of promising electrochemical energy storage systems using directional design of the local structure and microstructure of electrode materials”. 2023-current

Conferences

1.  VI International Conference of Young Scientists 2021. (Moscow, Russia).
2. International Scientific Student Conference 2022. (Novosibirsk State University). “Computational modeling of Li/Li7La3Zr2O12 interfaces with low resistance” 
3. Baikal Materials Science Forum 2022. (Ulan-Ude, Russia). “Computational modeling of Li+ charge transfer at Li/Li7La3Zr2O12”  
4. VI International Conference of Young Scientists 2022. (Moscow, Russia). “DFT study of surface reconstruction in LiVPO4F cathode material” 
5.  Lomonosov conference 2023. (Moscow, Russia). “A first-principle study of surface reconstruction in LiVPO4F cathode material” 
6. INESS 2023. (Akyaka, Turkey). “Li migration and charge transfer through Li/Li7La3Zr2O12 interfaces under constant charge conditions”