Электронная библиотека (репозиторий) Томского государственного университета

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Add   Extreme structure and spontaneous lift of spin degeneracy in doped perforated bilayer graphenes
Authors: Melchakova, Iuliia A. | Tenev, T. G. | Vitanov, N. V. | Tchaikovskaya, Olga N. | Chernozatonskii, L. A. | Yakobson, B. I. | Avramov, Pavel V.
Source: Carbon. 2022. Vol. 192. P. 61-70
Type: статьи в журналах
Date: 2022
Description: Extreme structure and spin states of doped and undoped perforated bigraphenes was studied using DFT simulations. It was found that folded nanopores possess extremely high curvature of 0.34 Å−1. Dramat ... More
Add   Structure and properties of exotic nano- and mesodiamonds with pentagonal symmetry
Authors: Tomilin, Felix N. | Pomogaev, Vladimir A. | Melchakova, Iuliia A. | Artyushenko, Polina V. | Shubin, Aleksandr A. | Volodin, A. M. | Zilberberg, I. L. | Avramov, Pavel V.
Source: Russian physics journal. 2022. Vol. 64, № 11. P. 2046-2051
Type: статьи в журналах
Date: 2022
Description: A comprehensive critical survey of structures of exotic nano-, meso- and microdiamonds with dodecahedral and icosahedral symmetry (N/MDPS) is presented. Due to their high dodecahedral or icosahedral s ... More
Add   Towards advanced complex quantum materials for spin-related applications and photo-induced heterogeneous catalysis: The case of (Fen) @g-CN1 (n = 2,3) and (Mn)@(g-CN1)2
Authors: Melchakova, Iuliia A. | Tchaikovskaya, Olga N. | Avramov, Pavel V.
Source: Computational materials science. 2021. Vol. 197. P. 110610 (1-6)
Type: статьи в журналах
Date: 2021
Description: Perspective heterostructures based on Fe and Mn adatoms on 2D g-C3N4 films of different morphology were designed and investigated by means of DFT GGA/PBE and GGA/HSE levels of theory. Spontaneous spin ... More
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