Himiâ vysokih ènergij
ISSN(Print): 0023-1193
Media registration certificate: No. 0110274 dated 02/08/1993
Founder: Russian Academy of Sciences, Institute of Physical Chemistry RAS
Editor-in-Chief: Razumov Vladimir Fedorovich
Number of issues per year: 6
Indexation: RISC, list of Higher Attestation Commissions, CrossRef, White List (level 3)
Current Issue



Vol 58, No 6 (2024)
GENERAL QUESTIONS
CO2-methane conversion
Abstract
In this study, a plasma-chemical method of methane conversion with CO₂ was considered as a potential means of producing hydrogen while simultaneously reducing carbon dioxide emissions. In order to achieve this, a series of experiments were conducted in order to evaluate the composition of the resulting fusion gas and the arc parameters. During the course of this work, it was found that modifying the volume of hydrogen present during the reaction resulted in an increase in the average mass temperature, which in turn led to an increase in the electrical conductivity of the arc. This finding suggests that the electrical parameters of the arc can be employed to estimate the quantity of hydrogen present in the resulting fusion gas.



Mulliken charge characteristics of titanocene dicarboranyl: specifics of the use of polarization and diffuse wave functions
Abstract
A systematic analysis of the orbital populations of a structurally complex organometallic complex was carried out in the Mulliken approximation using popular computing methods based on basis sets, extended with polarization and diffuse wave functions, traditionally used to describe electronically-excited states and coordinative interactions in complex compounds. A conclusion is drawn on the limitations of Mulliken’s classical approach.



Conformational structure of a complex of two oppositely charged polyelectrolytes on the surface of a charged spherical metallic nanoparticle
Abstract
This study employs molecular dynamics to investigate the conformational changes of a complex comprising two oppositely charged polyelectrolytes and a polyampholyte block copolymer adsorbed on the surface of a spherical metallic nanoparticle, as a function of its electrical charge. A mathematical model is presented for the rearrangement of two macromolecular shells of different signs spread on a charged spherical nanoparticle, together with an estimate of the stiffness of the polyelectrolyte chain as a function of its charge. Radial distributions of the average density of atoms of the polyelectrolyte complex and block copolymer situated on the surface of a charged spherical metallic nanoparticle are calculated. The polyelectrolytes with differing charges in the complex, along with the block copolymer, formed a tight envelope around the neutral spherical nanoparticle. As the absolute value of the nanoparticle charge increased, the macromolecular edge underwent swelling, resulting in the formation of two layers comprising differently charged polyelectrolytes or block copolymer fragments.



PHOTONICS
Research of charge carrier transfer processes in films of colloidal quantum dots of CsPbBr3 perovskites by pump-probe spectroscopy
Abstract
Colloidal quantum dots of CsPbBr₃ perovskites have been synthesised. The average size and polydispersity of the nanocrystals were determined to be 8.3 nm and 16%, respectively. The nanocrystals were employed in the fabrication of thin films via two distinct methods: drop casting and spin coating. The process of charge carrier transport was investigated through the use of laser femtosecond pump-probe spectroscopy. A proposed interpretation of the time-dependent shift of the lumen peak is presented. The Einstein–Smoluchowski equation was employed to estimate the mobility of charge carriers in the films.



Electron excitation transfer in nanoclusters of colloidal quantum dots InP/ZnS doped with manganese ions
Abstract
Colloidal indium phosphide quantum dots with a thin shell of zinc sulfide doped with manganese have been synthesized. Nanoclusters were fabricated based on the obtained nanocrystals. The effect of doping of nanocrystals on the process of Förster resonance transfer of electronic excitation and the spectral and luminescent properties of nanoclusters was studied for the first time. It has been shown that the luminescence of such clusters is radically different from the luminescence of undoped clusters and depends on the size of the nanocrystals. It is shown that the composition of particles participating in Förster transport depends on the moment of observation.



ЛАЗЕРНАЯ ХИМИЯ
Laser ablation of polymers: dynamics analysis
Abstract
The variation of the principal force parameters associated with polymethylmethacrylate ablation by means of continuous CO₂ laser radiation was subjected to investigation. The complex parameter, defined as the sum of the target weight and the reactive recoil force of the ablation flux, was measured using a force-measuring device with computer registration and a time resolution of 126.5 ms. The experimental data for the initial interval of 0-2 s were approximated by a model function, which enabled the identification of changes in the target weight and recoil force of the ablation flux during irradiation. The energy efficiency of the process in a low thrust jet engine (Cm = 115 μN/W) has been determined for the moment when the ablation rate reaches the stationary regime. This decreases with the laser irradiation time due to the formation of a crater with a concave surface and an increase in the gas pressure in the ablation chamber. It should be noted that the type of the ablation curve and, consequently, the approximating function for the initial stage of ablation are specific to each polymer and laser beam parameter.



RADIATION CHEMISTRY
Comparison of mass spectra characteristics using statistical analysis methods for the case of ionisation of organic molecules by electron impact with different electron energies
Abstract
The sensitivity and accuracy of volatile organic compound (VOC) identification can be enhanced through the manipulation of ionisation energy in electron impact ionisation mass spectrometric gas analysers. This is achieved by modulating the number of ions formed in the ion source. This paper presents a comparison of data obtained by electron impact ionisation at electron energy (EE) values in the range of 25–105 eV for a number of organic substances belonging to different classes of organic compounds. In order to interpret the dynamics of changes in the peak intensities of fragment ions, an analysis was conducted using similarity matrices based on different similarity metrics. This analysis demonstrated the influence of electron energy (EE) on the probability of formation of the main fragment particles of the studied substances, and consequently, on the similarity of the recorded mass spectrum with the reference mass spectrum from the database.



PLASMA CHEMISTRY
Barrier discharge conversion of gaseous olefins
Abstract
The oxidation of olefins С2–С4 in a barrier discharge in the presence of water has been investigated, with the formation of oxygen-containing compounds and various hydrocarbons С1–С5+ of limited and unsaturated structure being observed. The initial olefin’s molecular weight and structure have been found to exert a significant influence on the direction of the reaction. In the ethylene-propylene-butylene series, the proportion of oxygen-containing compounds increases from 28.1, 74.3 and 66.7 wt%, respectively. The oxidation of isobutene isomasalic aldehyde and acetone, with a content of 53 and 21 wt. %, respectively, primarily yields the formation of these compounds. In the case of the oxidation of butene-1 and butene-2, the predominant products are butanol-2, with a yield of up to 26 wt. %.



Hypothetical possibility of hydrogen octaoxide formation in cavitation plasma discharge
Abstract
This study examines the characteristics of water treated by cavitation plasma electric discharge. During the discharge process, hydroxyl radicals, hydrogen atoms and oxygen atoms are produced. The cycling of water through the discharge region results in the generation of secondary products with oxidising, reducing and slightly alkaline properties. The yield of oxidising and reducing agents was measured as a function of the total energy released in the discharge. The findings indicate that during the cyclic treatment of under the influence of cavitation discharge, hydrogen peroxide (H2O8) is produced. At a dose of 240 J/10 ml, the concentration is approximately ~10–3 mol/l.



Statistical analysis of branching angles of streamer discharges on the liquid surface
Abstract
The experimental investigation of atmospheric pressure streamer discharges on the water surface at two different polarities of voltage at the high-voltage electrode revealed several noteworthy findings. The discharge structure was photoregistered and subjected to statistical analysis. The results demonstrated that the discharges possess a complex structure comprising numerous branching channels. It was determined that the number of branching channels in discharges of negative polarity is approximately six times higher than the number of branching channels of positive polarity. Conversely, the mean branching angle of positive discharges is greater than that of negative polarity discharges. No branching angles exceeding 90° were observed, nor were any instances of intersection between different branches identified.



Amorphous SICX:H and SICXNY:H films obtained from hexamethyldisilane vapor in inductively coupled RF discharge plasma
Abstract
Amorphous films of hydrogenated silicon carbide SiCx:H and carbonitride SiCxNy:H have been synthesized in an RF inductively coupled plasma reactor using hexamethyldisilane vapor and additional argon and/or nitrogen gases. The deposition process was carried out at temperatures of 50–400°C and plasma powers of 100–400 W. The dependences of the growth rate, chemical composition and structure of films, light transmittance, refractive index, and optical band gap on synthesis conditions have been obtained. An in situ study of the gas phase composition was performed using optical emission spectroscopy.


