Bubnova Mariia

Scopus Publications

Compression-Induced Lattice Tilting Quenches Ion Migration at Metal Halide Perovskite Grain Boundaries: A Machine Learning Molecular Dynamics Study
Mikhail R. Samatov, Dongyu Liu, Emir S. Amirov, Maria A. Bubnova, Andrey E. Abrameshin, Alexander S. Kramarenko, Pavel A. Troshin, Weibin Chu, Huanping Zhou, Oleg V. Prezhdo, Andrey S. Vasenko
Journal of Physical Chemistry Letters, 2025
High Resolution Image Download MS PowerPoint Slide Ion migration at grain boundaries (GBs) is a key issue leading to the performance degradation of metal halide perovskites (MHPs). Given the weak lattice interactions, the properties of MHPs are highly sensitive to external strain, which is inevitable in practical applications. Nevertheless, a fundamental understanding of the GB behavior under strain is still lacking. Using machine learning molecular dynamics, we demonstrate that uniaxial strain dictates both structural variation and ion migration at a CsPbBr 3 GB. Tensile and strain-free conditions lead to grain sliding along the boundaries, creating versatile migration channels for all species. In contrast, compressive strain triggers lattice tilting within each grain and generates amorphous GB structures, blocking migration channels and ultimately quenching ion mobility. Our work elucidates the pivotal role of strain in determining the performance of MHPs and establishes compressive strain engineering as a promising strategy for enhancing their stability.
Data transfer from satellite to ground station emulator
M A Bubnova, V A Baleskin, A N Kosinov, D A Abrameshin, L A Romanov, B S Nikitin
Journal of Physics Conference Series, 2021
“Data transfer from satellite to ground station emulator” application has been developed for modelling data transfer between a small spacecraft at low-earth orbit and a control center on Earth. The application takes into account multiple parameters allowing to replace a number of experiments. Additionally, the SGP4 model and models such of parameters such as bit error rate and rain rate attenuation are studied and used in development of the application. Finally, the use cases for the application in education and introduction of school and university students to space-themed projects are considered.
Virtual space virtual satellite
V A Baleskin, M A Bubnova, A N Kosinov, D A Abrameshin, L A Romanov, B S Nikitin
Journal of Physics Conference Series, 2021
“Virtual space virtual satellite” (VSVS) software solution has been developed for computing the geomagnetic field and studying the results of modelling small spacecraft flight at low orbit with different parameters. The application will allow to replace a number of experiments. In addition, SGP4 and IGRF models are studied due to their role in development of the solution, as are the possible applications in developing solutions for educating high school and university students as well as introducing them to space-themed projects.