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Ab initio study of unzipping processes in carbon and boron nitride nanotubes under atomic oxygen impact
RSC advances. 2013. Vol. 3. No. 35. P. 15362–15367.
Voronina E. N., Lev S. Novikov
We apply first principles calculations to compare the carbon and boron nitride nanotube unzipping under atomic oxygen impact. We show that the attack of several oxygen atoms can cause bond breaking in nanotubes, but the structure of boron nitride nanotubes is less damaged than the structure of carbon ones. With increasing diameter, the structural damage of nanotubes reduces
Priority areas:
engineering science
Language:
English
Dmitriev A., Kornilov V., Batienkov R., Lecture Notes in Civil Engineering 2026 Vol. 886 P. 249–255
Numerous studies have provided compelling evidence that the probability distribution of avalanche sizes follows a power law, and that 1/f noise is present in the stochastic dynamics of landslides. We present a theoretical explanation of these phenomena within the framework of self-organized criticality theory, proposing a discrete-time model in the form of a sandpile cellular ...
Added: October 13, 2026
Dmitriev A., Shulman I., Lebedev A., Studies in Computational Intelligence 2026 Vol. 1265 P. 266–273
A discrete-time model is presented for the self-organization of the X/Twitter social network to the edge of a phase transition, characterized by avalanche-like propagation of information in the network. The model is based on the analogy between the critical dynamics of the X social network and sandpile cellular automata with Manna rule on the Chung-Lu ...
Added: October 13, 2026
Arutyunov K., Kharitonov I. A., Petrosyants K. O., JETP Letters 2026 Vol. 124 No. 6 P. 1–16
Superconducting properties of metallic micro- and nanowires can be entirely different from those of bulk superconductors. Of particular interest is the nonequilibrium current-induced state of a quasi-one-dimensional superconducting channel. The most interesting phenomenon here is the stepped I–V characteristic, explained by a process known as phase slip center activation. If the origin of such step-like ...
Added: October 13, 2026
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Махлуф М., Ozhegov R., Elezov M. et al., Фотоника 2026 Vol. 20 No. 6 P. 414–423
This paper compares the ranging precision of direct time-of-flight (dToF) and non-line-of-sight (NLOS) LiDAR architectures, both using a superconducting nanowire single-photon detector (SNSPD). Both systems operate at 1550 nm with a 50 ps pulsed laser and time-correlated single-photon counting (TCSPC). The dToF configuration achieved approximately 100 µm precision at 10 m, while the NLOS configuration achieved 500 µm precision for ...
Added: October 12, 2026
Singapore: Springer, 2026.
This volume presents the Proceedings of the 34th IUPAP Conference on Computational Physics (CCP2023), held in Kobe, Japan on August 4–8, 2023. It offers a collection of peer-reviewed articles that highlight recent developments in computational and simulation research across various areas of physics. Key topics include the use of data science, quantum computing, and machine ...
Added: October 12, 2026
Goncharov A., Chibisov A., Advanced Theory and Simulations 2023 Vol. 12 No. 13 Article 2200816
Designing stable quantum computers with the ability to correct errors responsibly requires a detailed understanding of the physical processes that underlie these devices. In this study, detailed quantum mechanical simulations of the atomic structure, charge distribution of electron density, and distribution and orientation of magnetic and quantum states as a function of applied external pressure ...
Added: October 11, 2026
Chibisov A., Gnidenko A., Chibisova M. et al., FlatChem 2023 Vol. 41 Article 100533
Manufacturing precise quantum computers with small errors in quantum operations, long coherence times, and low power consumption is the most important challenge in modern nanoelectronics. To understand the operating modes of such calculators in detail, both the optimal arrangement of the qubit system within the structure and changes in its magnetic properties must be comprehensively ...
Added: October 11, 2026
Wu Z., Yu Y., Chibisov A., Materials Today Energy 2023 Vol. 37 Article 101414
The limited availability of lithium metal resources has led to the development of sodium/potassium-ion batteries due to the abundance and low cost of sodium/potassium. However, finding suitable cathode materials with high capacity, stable cycling performance, and efficient electrochemical interface is still challenging. Herein, the honeycomb layered structures of P2-type A2Ni2TeO6 (A = Na, K) have been explored ...
Added: October 11, 2026
Prokhorenko A., Chibisov A., Gnidenko A. et al., The Journal of Physical Chemistry Letters 2024 Vol. 15 No. 41 P. 10295–10300
The development of ultrathin magnets with tunable magnetic properties is essential for advancing quantum computing technologies. In this study, density functional theory (DFT) calculations were employed to investigate the atomic and electronic structures of a ZnO monolayer embedded with cobalt atoms. The impact of spin dynamics on charge transfer within the Co:ZnO system was thoroughly ...
Added: October 11, 2026
Chibisov A., Chibisova M., Modern Electronic Materials 2025 Vol. 71 P. 99–103
The problem of creating energy-efficient quantum computers capable of performing quantum operations without errors is a significant scientific challenge in modern nanoelectronics. This type of computer can be developed using quantum transistors that contain hole qubits and are capable of performing operations on them. Hole qubits are a promising technology for quantum computers due to ...
Added: October 11, 2026
Tyagi V., Srivastava A., Mangal A. et al., Surfaces and Interfaces 2025 Vol. 73 Article 107591
The present work reports the suitability of Functionalized graphene sheet as a sensing material for detecting the diabetes biomarker acetone from Exhaled breath. The adsorption of Acetone on Boron/Nitrogen doped graphene sheet has been investigated using the Density Functional theory (DFT). The interaction between acetone and the graphene surface has been investigated in terms of ...
Added: October 11, 2026
Bulakh S., Chibisov A., Srivastava A., Russian Microelectronics 2026 Vol. 55 P. 311–315
The effect of sulfur vacancies on the electronic structure of a molybdenum disulfide (MoS2) monolayer has been studied using density functional theory (DFT) methods implemented in the VASP software package. The ideal structure and systems with one and two sulfur vacancies and various options of defect localization in the MoS2 structure have been discussed. A ...
Added: October 11, 2026
Chowdhury U., Mondal S., Dey S. et al., Journal of the american chemical society 2026 Vol. 148 No. 23 P. 24538–24550
Covalent functionalization offers a versatile platform to engineer carbon nanotube properties for optoelectronics applications. We demonstrate by atomistic quantum dynamics simulation that covalent functionalization can renormalize the CNT band gap, split the degenerate CNT band edge states, and strongly influence charge carrier separation and recombination dynamics. Open-ring CNT functionalization (O-CNT) largely retains the π-conjugation, whereas ...
Added: June 1, 2026
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
Added: April 20, 2026
Shandakov S. D., Kosobutsky A. V., Vershinina A. et al., Materials Today Communications 2024
Added: February 10, 2026
Chetyrkina M. R., A Butt H., Bulavskiy M. O. et al., Advanced Engineering Materials 2024
Added: February 10, 2026
[б.и.], 2025.
Конференция организуется с целью обсуждения актуальных результатов исследований молодых научных сотрудников, аспирантов и студентов старших курсов в области вычислительной и прикладной математики и информатики. Участие в конференции дает возможность молодым ученым получить представление о результатах исследований в области современного математического моделирования, вычислительных и информационных технологий, установить научные контакты, а также познакомиться с широким кругом задач, ...
Added: February 8, 2026
Gleb Vaganov, Didenko A., Popova E. et al., Polymer Engineering and Science 2025 P. 1–9
Nanomodified polyimide powders based on partially crystalline polyimide (PI) and single- walled carbon nanotubes (SWCNT) were obtained in the course of the synthesis of polyimide powder by chemical imidization. The nanomodified polyimide powders were used to prepare bulk materials (moldings) by injection molding. Differential scanning calorimetry and scanning electron microscopy showed that carbon nanotubes acted ...
Added: December 1, 2025
-, 2025.
12-th International School and Conference “Saint Petersburg OPEN
2025” on Optoelectronics, Photonics, Engineering and Nanostructures
carries on the tradition of annual conferences and schools organized at
St Petersburg Academic University for students, PhD students and young
scientists. More detailed information on the School and Conference is
presented on https://spb.hse.ru/spbopen/
The Book of Abstracts includes abstracts of contributed works accepted
for presentation at ...
Added: October 29, 2025
Solodovnik M., Balakirev S., Ivan S. Makhov et al., Applied Surface Science 2025 Vol. 700 Article 163211
Despite the rapid growth in the number of studies devoted to quantum dot (QD) formation on patterned substrates,
segregation effects that have a significant impact on the properties of QD-based heterostructures remain
largely unexplored. In this paper, we focus on the influence of segregation under different capping regimes on the
optical properties of various InAs/GaAs nanostructures: QDs and ...
Added: April 17, 2025
Roghani H., Borhani E., Jafarian H. R. et al., Wear 2023 Vol. 526-527 Article 204895
In this research, AA1050/AA2024 layered composites were created through six cycles of the ARB process. In this direction, the effect of using the reinforcing nanoparticles and the initial aging process on the mechanical properties and microstructure were researched. Two sheets of AA1050 and one sheet of AA2024 alternatively were used to create the composite. Also, ...
Added: February 18, 2025
Kagan M., Silkin V. M., Efremov D. V., / Series arXiv "math". 2024. No. 2411.12836.
In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO2 monolayer. In addition to the conventional two-dimensional (2D) gapless plasmon mode, our findings reveal the existence of three anomalous branches within the plasmon spectrum. Two of these branches ...
Added: November 27, 2024