Margarita A. Gimaldinova

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Covalently Bonded 1D Chains and 2D Networks From Si-Doped CL-20: Computational Study2025
• Hypercubane covalent crystals: Insight from density functional theory2023
• Energy and Electronic Properties of Nanostructures Based on the CL-20 Framework with the Replacement of the Carbon Atoms by Silicon and Germanium: A Density Functional Theory Study2022
• Ab initio Study of Hydrogen Adsorption on Metal-Decorated Borophene-Graphene Bilayer2021 · аннотациясвернуть

  We studied the hydrogen adsorption on the surface of a covalently bonded bilayer borophene-graphene heterostructure decorated with Pt, Ni, Ag, and Cu atoms. Due to its structure, the borophene-graphene bilayer combines…

• Stabilization of small nitrogen clusters via spatial constraint2020
• Ab initio modeling of dynamic stability of silicon prismanes2020
• Carbon vs silicon polyprismanes: a comparative study of metallic sp3-hybridized allotropes2019 · аннотациясвернуть

  Polyprismanes are the special type of single-walled nanotubes with an extremely small cross-section in the form of a regular polygon. In the presented study, we considered carbon and silicon polyprismanes that are…

• Silicon rebirth: Ab initio prediction of metallic sp3-hybridized silicon allotropes2019