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    High Energy Chemistry

    High Energy Chemistry

    JournalISSN 0018-1439eISSN 1608-3148中科院 化学 4区

    年发文量

    研究主题

    论文(5167)

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    1The Influence of Molecular Fluorination on the Electronic and Magnetic Properties of the Photovoltaic Composite PM6:PCBM: DFT and EPR Studies
    E. I. Yudanova, N. N. Denisov, O. A. Kraevaya, L. A. Frolova, P. A. Troshin, V. I. Krinichnyi

    A comparative study by EPR and optical spectroscopy has been carried out, as well as calculations by density functional theory (DFT) of the electronic and magnetic properties of spin charge carriers excited by light in a photovoltaic composite PM6:PC61BM with fluorine atoms 19F in its monomers. The data obtained lead to the conclusion that there was a significant change in charge density and spin population when hydrogen atoms in PCE12 are replaced by fluorine ones of PM6 in the thiophene side chains of the polymer matrix of the composite. Such a substitution results in a redistribution of the electron charge density by about 27% on 19F atoms and their nearest carbon microenvironment, a slowdown in the recombination of mobile spin pairs, and a decrease in their g-factor due to greater spin delocalization along the polymer chain. At the same time, the effective band gap and the energy levels of polarons photoexcited in PCE12 and PM6 polymers are practically unchanged. The methods used in the work made it possible to estimate the charge and spin distribution on all atoms of organic photovoltaic cells.

    2026
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    2The Effect of Gamma Irradiation on the Toxicity of the Lightly Crosslinked Polyacrylic Acid “carbomer 940”
    U. Yu. Allayarova, E. N. Klimanova, T. E. Sashenkova, V. N. Varfolomeev, S. V. Demidov, S. S. Fedulin, S. R. Allayarov

    The impact of gamma irradiation in the range of 500 to 2000 kGy on the toxicological profile of Carbomer 940 was evaluated. Irradiation at a dose of 500 kGy increased the toxicity of aqueous dispersions of the carbomer by 20

    2026
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    3Laser-Induced Breakdown Spectroscopy by Combined Micro- and Nanosecond Pulses for Elemental Analysis of Scale-Coated Steels
    P. A. Sdvizhenskii, A. V. Rogachevskaya, V. N. Lednev

    An approach based on a combination of micro- and nanosecond laser pulses for the analysis of steel samples through a scale layer is proposed. It has been demonstrated that using a combination of micro- and nanosecond pulses makes it possible to achieve linearity of the calibration curve, R2 = 0.964, which is comparable to the results of polished metal surface analysis. The proposed approach was successfully tested for quantitative elemental analysis under conditions simulating the motion of a steel sample, confirming its potential for real-time analytical monitoring in metallurgical production.

    2026
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    4The Effect of Gamma Irradiation in a Wide Dose Range on the Functional Composition of Lightly Crosslinked Polyacrylic Acid (carbomer 940)
    M. A. Gorbunova, A. T. Kapasharov, S. V. Demidov, S. S. Fedulin, G. V. Malkov, S. R. Allayarov

    The effect of γ-irradiation in the dose range from 5 to 1700 kGy on the structural changes of the lightly crosslinked polyacrylic acid Carbomer 940 has been studied using IR spectroscopy to analyze the features of radiation-chemical transformations in the polymer matrix. It has been established that irradiation causes a stepwise change in the functional composition of the polymer, including redistribution of hydrogen bonds and rupture of crosslinks followed by modification of functional groups at high doses. At doses up to 400 kGy, a reformation of intermole cular interactions without degradation of the polymer backbone is observed. In the 400–800 kGy range, irreversible oxidative degradation occurs, forming anhydride structures. High doses lead to polymer carbonization. Characteristic spectral indicators of each step of radiation-induced transformations have been identified, including the appearance of new absorption bands and changes in the intensity of the existing ones. Importantly, the integrity of the polymer backbone is maintained even at maximum radiation doses, despite significant changes in its functional composition.

    2026
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    5Effect of Electrolyte Composition on Electrolytic Plasma Treatment of Metals
    M. F. Ahatov, D. F. Akhunov, A. R. Muhametzyanov, M. N. Semenov, Yu. A. Abakumova, Az. F. Gaysin

    Experimental studies and analysis of the results of electrolyte-plasma treatment of copper, steel, and brass products using an electric discharge with weak and strong electrolytes were conducted. The samples were treated by immersing a metal anode (the product being treated) in a liquid (non-metallic) cathode. The surfaces of the metals were analyzed before and after treatment with various electrolyte solutions.

    2026
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    立即登录,查看全部 5167 篇论文

    高被引作者

    作者引用发文
    A. B. Gil'Man67677
    Ak Pikaev58280
    Alexander Fridman5254
    Ruslan Allayarov48377
    M.V. Alfimov48068
    D. P. Kiryukhin44852
    Mikhail Ya. Melnikov44828
    V. V. Rybkin40749
    Mikhail Budyka40648
    Vladimir I Feldman39635

    高产作者

    作者引用发文
    Ak Pikaev58280
    A. B. Gil'Man67677
    Ruslan Allayarov48377
    M.V. Alfimov48068
    Valerii P Kazakov17755
    Aleksandr K Chibisov38955
    A. V. Ponomarev28554
    Anatolii V Vannikov37053
    Vladimir F Razumov34553
    D. P. Kiryukhin44852

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