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Russian Journal of Physical Chemistry B最新文献

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Photogeneration of Charge Carriers in Organic Solar Cells: The Role of Nonequilibrium States for Electrons and Holes 有机太阳能电池中载流子的光产生：电子和空穴非平衡态的作用
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701458
L. V. Lukin
{"title":"Photogeneration of Charge Carriers in Organic Solar Cells: The Role of Nonequilibrium States for Electrons and Holes","authors":"L. V. Lukin","doi":"10.1134/S1990793124701458","DOIUrl":"10.1134/S1990793124701458","url":null,"abstract":"<p>The aim of this study is to consider the photogeneration of charge carriers in nano-structured blends of the donor (D) and acceptor (A) materials. The optical excitation photons absorbed in one of these materials produce intramolecular excitons which can diffuse into the D–A interface and form interfacial CT states at the interface. The interfacial CT state dissociates into a geminate pair of the nonequilibrium mobile electron and hole. In this study, an empirical model describing thermalization of the nonequilibrium charges within the Coulomb well is proposed. The efficiency of the interfacial CT state’s dissociation into a pair of free charges is found as a function of the electric field applied, effective temperature, and diffusion length of the nonequilibrium electron-hole pairs.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1534 - 1549"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Erratum to: Heterogeneous Reaction of Dimethyl Sulfide with a Chlorine Atom 二甲基硫化物与氯原子的非均相反应的勘误
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124350033
I. K. Larin, G. B. Pronchev, E. M. Trofimova
{"title":"Erratum to: Heterogeneous Reaction of Dimethyl Sulfide with a Chlorine Atom","authors":"I. K. Larin,&nbsp;G. B. Pronchev,&nbsp;E. M. Trofimova","doi":"10.1134/S1990793124350033","DOIUrl":"10.1134/S1990793124350033","url":null,"abstract":"","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1653 - 1653"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Erratum to: Effect of Particles of the Junge Layer on the Length of Ozone Depletion Chains in the Atmosphere 丛林层粒子对大气中臭氧消耗链长度影响的勘误
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124350021
I. K. Larin, G. B. Pronchev, A. N. Yermakov
{"title":"Erratum to: Effect of Particles of the Junge Layer on the Length of Ozone Depletion Chains in the Atmosphere","authors":"I. K. Larin,&nbsp;G. B. Pronchev,&nbsp;A. N. Yermakov","doi":"10.1134/S1990793124350021","DOIUrl":"10.1134/S1990793124350021","url":null,"abstract":"","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1652 - 1652"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Relaxation of Multiple Excitons in ZnCdS and ZnCdS/ZnS Alloy Quantum Dots ZnCdS和ZnCdS/ZnS合金量子点中多激子的弛豫
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701380
A. A. Vasin, A. L. Dobryakov, S. Yu. Kochev, O. Yu. Antonova, F. E. Gostev, I. V. Shelayev, A. N. Kostrov, A. V. Aibush, V. A. Nadtochenko
{"title":"Relaxation of Multiple Excitons in ZnCdS and ZnCdS/ZnS Alloy Quantum Dots","authors":"A. A. Vasin,&nbsp;A. L. Dobryakov,&nbsp;S. Yu. Kochev,&nbsp;O. Yu. Antonova,&nbsp;F. E. Gostev,&nbsp;I. V. Shelayev,&nbsp;A. N. Kostrov,&nbsp;A. V. Aibush,&nbsp;V. A. Nadtochenko","doi":"10.1134/S1990793124701380","DOIUrl":"10.1134/S1990793124701380","url":null,"abstract":"<p>The relaxation dynamics of “hot” and band-edge excitons in ZnCdS (2.8 eV edge exciton) and ZnCdS/ZnS (2.7 eV) quantum dot alloys was studied using femtosecond pump (360 nm, 3.44 eV, 25 fs)— probe (380–700 nm) laser spectroscopy. Transients were studied as a function of the pump pulse energy, which changes the number of excitons. The relaxation of the “hot” exciton is controlled by the Auger mechanism. The decay time of a “hot” exciton depends very weakly on the pump energy and is in the range of 140–190 fs. The decay of a band-edge exciton depends significantly on the pump energy, which suggests an Auger recombination mechanism. The multiexponential transient decay is well described within the stochastic model with only two constants <span>(k_{i}^{{Auger}})</span> and <span>(k_{i}^{1} = {i mathord{left/ {vphantom {i {{{tau }_{1}}}}} right. kern-0em} {{{tau }_{1}}}})</span>.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1646 - 1650"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Generalized Method for the Estimation of the Intensity of Electron-Phonon Interaction in Photosynthetic Pigments using the Evolutionary Optimization Algorithm 利用进化优化算法估计光合色素中电子-声子相互作用强度的广义方法
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701422
V. A. Kurkov, D. D. Chesalin, A. P. Razjivin, U. A. Shkirina, R. Y. Pishchalnikov
{"title":"A Generalized Method for the Estimation of the Intensity of Electron-Phonon Interaction in Photosynthetic Pigments using the Evolutionary Optimization Algorithm","authors":"V. A. Kurkov,&nbsp;D. D. Chesalin,&nbsp;A. P. Razjivin,&nbsp;U. A. Shkirina,&nbsp;R. Y. Pishchalnikov","doi":"10.1134/S1990793124701422","DOIUrl":"10.1134/S1990793124701422","url":null,"abstract":"<p>Modeling the optical response of photosynthetic pigments is an integral part of the study of fundamental physical processes of interaction between multi-atomic molecules and the external electromagnetic field. In contrast to ab initio methods for calculating the ground and excited states of a molecule, the use of semiclassical quantum theories allows us to use characteristic functions, such as spectral density, to calculate absorption spectra rather than considering the full set of electron and atom configurations. The main disadvantage of this approach is the comparison of calculated and experimental spectra and, as a consequence, the need to justify the uniqueness of the obtained parameters of the system under study and to evaluate their statistical significance. In order to improve the quality of the optical response calculation, a heuristic evolutionary optimization algorithm was used in this work, which minimizes the difference between the measured and theoretical spectra by determining the most appropriate set of model parameters. It is shown that, using as an example the spectra of photosynthetic pigments measured in different solvents, the optimization of modeling allowed us to obtain a good agreement between the calculated and experimental data and to unambiguously determine the electron-phonon interaction coefficients for the electronic excited states of chlorophyll, lutein and β-carotene.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1486 - 1495"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Kinetics of Soy Lecithin Oxidation at High Concentrations: The Effect of Antioxidants 高浓度大豆卵磷脂氧化动力学：抗氧化剂的影响
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701185
L. I. Mazaletskaya, N. I. Sheludchenko, O. T. Kasaikina
{"title":"Kinetics of Soy Lecithin Oxidation at High Concentrations: The Effect of Antioxidants","authors":"L. I. Mazaletskaya,&nbsp;N. I. Sheludchenko,&nbsp;O. T. Kasaikina","doi":"10.1134/S1990793124701185","DOIUrl":"10.1134/S1990793124701185","url":null,"abstract":"<p>The azobisisobutyronitrile (AIBN)-initiated oxidation of soy lecithin (RH) is studied in a wide range of RH (0.027−0.4 mol/L) and AIBN (0.01–0.043 mol/L) concentrations. It is found that at high concentrations of lecithin the oxidizability parameter <i>a</i> = <i>k</i><sub>p</sub>/(2<i>k</i><sub>t</sub>)<sup>0.5</sup>, where <i>k</i><sub>p</sub> and <i>k</i><sub>t</sub> are the constants of the rate of chain propagation and termination, is significantly reduced, while regardless of the concentration of lecithin, a linear dependence of the initiation rate on (<i>W</i><sub>i</sub>)<sup>0.5</sup> is maintained. The antiradical activity of antioxidants (AOs) of different classes at [RH] = 0.4 mol/L is assessed, showing that the antiradical activity of phenols in lecithin is significantly lower than in hydrocarbons. The antiradical activity and inhibitory effects in the oxidation of lecithin decrease in the following order: α-tocopherol &gt; 3,6-di-tert.butyl-1,2-benzoquinone &gt; quercetin &gt; 2,4,6-tri-tert.butylphenol.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1496 - 1500"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Physical and Chemical Analysis of the Lipofuscin Granule of Bisretinoid Photodestruction Products From Retinal Pigment Epithelium Cells of the Eye 眼视网膜色素上皮细胞类双维甲酸光破坏产物脂褐素颗粒的理化分析
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701276
M. A. Yakovleva, A. A. Vasin, A. E. Dontsov, A. A. Gulin, A. V. Aybush, A. A. Astafiev, A. M. Shakhov, T. B. Feldman, M. A. Ostrovsky
{"title":"Physical and Chemical Analysis of the Lipofuscin Granule of Bisretinoid Photodestruction Products From Retinal Pigment Epithelium Cells of the Eye","authors":"M. A. Yakovleva,&nbsp;A. A. Vasin,&nbsp;A. E. Dontsov,&nbsp;A. A. Gulin,&nbsp;A. V. Aybush,&nbsp;A. A. Astafiev,&nbsp;A. M. Shakhov,&nbsp;T. B. Feldman,&nbsp;M. A. Ostrovsky","doi":"10.1134/S1990793124701276","DOIUrl":"10.1134/S1990793124701276","url":null,"abstract":"<p>In this paper, the mechanisms of the formation of the bisretinoid oxidation products in lipofuscin granules (LGs) isolated from the retinal pigment epithelium cells of the human eye are studied. The physicochemical characteristics of the bisretinoid photooxidation products are described. The methods of IR spectroscopy, Raman spectroscopy, fluorescence spectroscopy, scanning confocal microscopy, time-of-flight mass spectrometry of secondary ions, and high-performance liquid chromatography are used for the study. The properties of the products of photooxidation and degradation of the fluorophore of LGs, including synthetic <i>N</i>-retinylidene-<i>N</i>-retinylethanolamine (A2E), are described in detail. It is shown that the products of oxidative degradation of LGs are similar to the products of photooxidation of the main bisretinoid of LGs: A2E. These data are important both for understanding the mechanisms of the formation of cytotoxic products in LGs and for establishing their chemical nature.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1592 - 1603"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spin Adducts in Photolysis of Mixed Benzoyl Phosphonium‒Iodonium Ylide in Dichloromethane 二氯甲烷中混合苯甲酰膦-吡啶碘光解反应中的自旋加合物
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701197
I. D. Potapov, M. V. Motyakin, T. A. Podrugina, T. D. Nekipelova
{"title":"Spin Adducts in Photolysis of Mixed Benzoyl Phosphonium‒Iodonium Ylide in Dichloromethane","authors":"I. D. Potapov,&nbsp;M. V. Motyakin,&nbsp;T. A. Podrugina,&nbsp;T. D. Nekipelova","doi":"10.1134/S1990793124701197","DOIUrl":"10.1134/S1990793124701197","url":null,"abstract":"<p>Mixed phosphonium-iodonium ylides are of interest as reactants for the synthesis of new heterocyclic compounds. Recently it has been shown that under irradiation the reactions of phosphonium-iodonium ylides occur with the formation of radicals. The radicals generated in the photolysis of the ylide itself and its fragments, diphenyliodonium salt and triphenylphosphine, or compounds participating in its reactions, dichloromethane and phenylacetylene, are studied with the use of PBN and DMPO spin traps. The obtained results confirm the radical mechanism of the ylide photodecomposition and have allowed us to specify the composition of the primary radicals generated in the photolysis. The unknown EPR parameters of spin adducts are determined for some radicals.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1501 - 1510"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Manifestation of Spin-Selectivity of the Singlet Exciton Decay into a Pair of Triplets in the Kinetics of the Exciton Decay in Rubrene Films 单线态激子衰变为三重态的自旋选择性在Rubrene薄膜激子衰变动力学中的表现
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701483
A. I. Shushin, S. Ya. Umanskii
{"title":"The Manifestation of Spin-Selectivity of the Singlet Exciton Decay into a Pair of Triplets in the Kinetics of the Exciton Decay in Rubrene Films","authors":"A. I. Shushin,&nbsp;S. Ya. Umanskii","doi":"10.1134/S1990793124701483","DOIUrl":"10.1134/S1990793124701483","url":null,"abstract":"<p>The kinetics of singlet fission (SF) (i.e., spontaneous splitting of the excited singlet state into a pair of triplet (T) excitons (TT-pair)) is known to be significantly affected by TT-annihilation (TTA), which manifests itself in magnetic field effects on the TTA and, in particular, in the magnetic-field dependence of the SF-kinetics. In this study, in the two-state model (TSM), a method is proposed for treating the magnetic field effects on the SF-kinetics, which allows for the correct description of the manifestation of the stochastic migration of T-excitons assuming that the manifestation results from the transition from two states of coupled and freely diffusing T-excitons. In the TSM, the analytical expression for the magnetic-field-dependent part of the SF-kinetics is derived. This expression is applied to the analysis of the SF-kinetics measured in amorphous rubrene films in the absence of a magnetic field and in the field <i>B</i> = 8 kGs.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1635 - 1640"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Heterocyclic Molecules’ Fragmentation Due to the Capture of a Single Electron by Doubly Charged Ions 双带电离子捕获单电子导致杂环分子破碎
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701392
A. A. Basalaev, V. V. Kuz’michev, M. N. Panov, K. V. Simon, O. V. Smirnov
{"title":"Heterocyclic Molecules’ Fragmentation Due to the Capture of a Single Electron by Doubly Charged Ions","authors":"A. A. Basalaev,&nbsp;V. V. Kuz’michev,&nbsp;M. N. Panov,&nbsp;K. V. Simon,&nbsp;O. V. Smirnov","doi":"10.1134/S1990793124701392","DOIUrl":"10.1134/S1990793124701392","url":null,"abstract":"<p>The fragmentation processes of adenine (Ade, C<sub>5</sub>H<sub>5</sub>N<sub>5</sub>) and cyclodiglycine (DKP, C<sub>4</sub>H<sub>6</sub>N<sub>2</sub>O<sub>2</sub>) ions formed in capturing a single electron during the interaction of molecules in the gas phase with C<sup>2+</sup> and O<sup>2+</sup> ions with an energy of 12 keV are studied by time-of-flight mass spectrometry. The experimentally observed dependence of the relative fragmentation cross section of molecular ions on the type of projectile is qualitatively explained within the framework of the quasi-molecular model. Using the multiconfiguration method of a self-consistent field in a complete active space (CASSCF), the fragmentation reaction paths of Ade<sup>+</sup> and DKP<sup>+</sup> ions are calculated. The calculated energy values of the appearance of fragments are in close agreement with the available experimental data.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 6","pages":"1451 - 1461"},"PeriodicalIF":1.4,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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