60 citations · 528 across the 34 of their papers we have counts for
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Scaling Dependencies in Irradiation-Driven Molecular Dynamics Simulations: Case Study of W(CO) Fragmentation
Soumyo Kheto, Alexey Verkhovtsev, Bobby Antony +1
Irradiation-driven fragmentation and chemical transformations of organometallic molecules play a central role in nanofabrication techniques based on the use of focused charged-part…
Atomistic modelling and structural characterisation of coated gold nanoparticles for biomedical applications
Matthew D. Dickers, Alexey V. Verkhovtsev, Nigel J. Mason +1
This study presents the results of atomistic structural characterisation of 3.7 nm diameter gold nanoparticles (NP) coated with polymer polyethylene glycol (PEG)-based ligands of d…
Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formation
Wenkai Wu, Alexey V. Verkhovtsev, Theodoros Pavloudis +2
Atomic cluster-based networks represent a promising architecture for the realization of neuromorphic computing systems, which may overcome some of the limitations of the current co…
Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
Wenkai Wu, Theodoros Pavloudis, Alexey V. Verkhovtsev +2
Neuromorphic computing systems may be the future of computing and cluster-based networks are a promising architecture for the realization of these systems. The creation and dissolu…
Mechanisms of radiation-induced structural transformations in deposited gold clusters
Alexey V. Verkhovtsev, Yury Erofeev, Andrey V. Solov'yov
Physical mechanisms of structural transformations in deposited metallic clusters exposed to an electron beam of a transmission electron microscope (TEM) are studied theoretically a…
Molecular dynamics characterisation of radiosensitising coated gold nanoparticles in aqueous environment
Alexey V. Verkhovtsev, Adam Nichols, Nigel J. Mason +1
Functionalized metal nanoparticles (NPs) have been proposed as promising radiosensitizing agents for more efficient radiotherapy treatment using photons and ion beams. Radiosensiti…
Molecular dynamics simulations of sodium nanoparticle deposition on magnesium oxide
Yannick Fortouna, Pablo de Vera, Alexey Verkhovtsev +1
The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understand…
Soft landing of metal clusters on graphite: a molecular dynamics study
Alexey V. Verkhovtsev, Yury Erofeev, Andrey V. Solov'yov
Structure and stability of 3 nm size Ag, Au and Ti clusters deposited on graphite under soft-landing conditions ( eV per atom) are studi…
Transport of secondary electrons through coatings of ion-irradiated metallic nanoparticles
Kaspar Haume, Pablo de Vera, Alexey Verkhovtsev +3
The transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a cas…
Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions
Alexey Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov
We present the results of classical molecular dynamics simulations of collision-induced fusion and fragmentation of C fullerenes, performed by means of the MBN Explorer soft…
Photoionization of multishell fullerenes studied by ab initio and model approaches
Alexey Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov
Photoionization of two buckyonions, C@C and C@C, is investigated by means of time-dependent density-functional theory (TDDFT). The TDDFT-based photoabs…
Comparative analysis of the secondary electron yield from carbon nanoparticles and pure water medium
Alexey Verkhovtsev, Sally McKinnon, Pablo de Vera +5
The production of secondary electrons generated by carbon nanoparticles and pure water medium irradiated by fast protons is studied by means of model approaches and Monte Carlo sim…
Electron production by sensitizing gold nanoparticles irradiated by fast ions
Alexey V. Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov
The yield of electrons generated by gold nanoparticles due to irradiation by fast charged projectiles is estimated. The results of calculations are compared to those obtained for p…
Revealing the Mechanism of Low-Energy Electron Yield Enhancement from Sensitizing Nanoparticles
Alexey V. Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov
We provide a physical explanation for enhancement of the low-energy electron production by sensitizing nanoparticles due to irradiation by fast ions. It is demonstrated that a sign…
Quantum and classical features of the photoionization spectrum of C
Alexey V. Verkhovtsev, Andrei V. Korol, Andrey V. Solov'yov
By considering photoionization of the C fullerene, we elucidate the contributions of various classical and quantum physics phenomena appearing in this process. By comparing…
Hybridization-related correction to the jellium model for fullerenes
A. V. Verkhovtsev, R. G. Polozkov, V. K. Ivanov +2
We introduce a new type of correction for a more accurate description of fullerenes within the spherically symmetric jellium model. This correction represents a pseudopotential whi…
Role of exchange interaction in self-consistent calculations of endohedral fullerenes
Alexey V. Verkhovtsev, Roman G. Polozkov, Vadim K. Ivanov +2
Results of the self-consistent calculation of electronic structure of endohedral fullerene Ar@C within the Hartree-Fock and the local density approximations are presented. H…