Russian Journal of Physical Chemistry B最新文献

{"title":"Design and Simulation of Nitrogen-Doped Graphene (C2N) Using SCAPS-1D Technology: Brightening the Future of Solar Energy with Vision 2030","authors":"A. Alsalhi,&nbsp;A. Alharbi,&nbsp;B. Almukhlifi,&nbsp;B. Alngedan,&nbsp;J. Alabdullateef,&nbsp;J. Alnoudal,&nbsp;R. Alharbi,&nbsp;S. Alshdookhi,&nbsp;S. Alfajih,&nbsp;L. Alazmi,&nbsp;S. Bouzgarrou","doi":"10.1134/S1990793126700156","DOIUrl":"10.1134/S1990793126700156","url":null,"abstract":"<p>The present study introduces an advanced high-efficiency solar cell design that leverages nitrogenated holey graphene (C₂N) as the absorber layer and a heavily doped p-CZT layer as an innovative back-surface field (BSF) material. Using the SCAPS-1D simulator, a previously reported cell structure (TCO/IGZO/C₂N/back contact) with an efficiency of 18.22% was first reproduced and further enhanced by integrating Al and Pt as front and back contacts, respectively. A simple yet powerful numerical simulation in SCAPS enabled precise evaluation of how different physical parameters affect device performance. Building on these insights, a novel layered materials hetero-junction structure (Al/TCO/IGZO/C₂N/CZT/Pt) was proposed. This device was proposed ans systematically optimized. This reveals that the CZT-BSF layer significantly boosts the performance—raising efficiency from 14.65 to 20.97%, while <span>({{V}_{{{text{OC}}}}})</span> increased from 1.33 to 1.4044 V, <span>({{J}_{{{text{SC}}}}})</span>, from 17.61 to 23.68 mA/cm², and fill factor <span>(FF)</span> from 84.50 to 89.08%. These findings highlight the strong potential of C₂N-based structures for next-generation photovoltaic and optoelectronic technologies.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 5","pages":"534 - 542"},"PeriodicalIF":1.4,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148104240","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}

{"title":"Physical Reasons for Overcoming the Chiral Catastrophe Paradox","authors":"A. A. Skoblin,&nbsp;D. V. Zlenko,&nbsp;M. G. Mikhaleva,&nbsp;S. V. Stovbun","doi":"10.1134/S1990793126700144","DOIUrl":"10.1134/S1990793126700144","url":null,"abstract":"<p>In 1996, Avetisov and Goldanskii demonstrated that the formation of homochiral polymers from racemic mixtures of enantiomers is possible if the difference in binding energy between like and opposite enantiomers is at least 6–8 kT (15–20 kJ/mol). However, theoretical estimates indicate that this energy cannot exceed kT. At the same time, similar processes are observed experimentally and should have taken place at the dawn of life on Earth. This contradiction has been called the “chiral catastrophe” and remains unresolved to this day. In this paper, we theoretically demonstrate the fundamental possibility of overcoming chiral catastrophe through the effect of chiral-induced spin selectivity, which provides a sufficiently strong (up to 100 kJ/mol) exchange interaction between chiral molecules. This allows us to describe the thermodynamics of the formation of homochiral chains of molecules in a medium with any degree of chiral polarization in the absence of specialized enzymes, which was previously theoretically considered a physical paradox.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 5","pages":"527 - 533"},"PeriodicalIF":1.4,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148104239","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}

{"title":"Study of Electrophysycal Processes in an Extended Heterogeneous Plasma Vortex Flow","authors":"A. I. Klimov","doi":"10.1134/S1990793126700181","DOIUrl":"10.1134/S1990793126700181","url":null,"abstract":"<p>It is well known that there are complex electrical, optical and acoustic phenomena associated with the process of electric charging of the condensed phase in a heterogeneous vortex gas stream can be observed inside large atmospheric vortices, such as tornadoes, as well as inside volcanic eruptions [1]. It is noted that linear and ball lightning (BL) can be observed inside the core of the atmospheric tornado. Electrophysical and optical precursors are often observed before the formation of tornadoes and volcanic eruptions. The purpose of this work is to study electrophysical processes in an extended heterogeneous plasma vortex formed in a testing gas stream: air stream + water vapor (aerosol).</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 5","pages":"555 - 560"},"PeriodicalIF":1.4,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148104225","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}

{"title":"Elucidation of Regioselectivity and Stereoselectivity in the Isatin-Aminorhodanine Hybrids Synthesis","authors":"L. Benyahia,&nbsp;A. Safer,&nbsp;K. Khaldoun,&nbsp;S. Saidi-Besbes,&nbsp;N. Tchouar","doi":"10.1134/S1990793126700119","DOIUrl":"10.1134/S1990793126700119","url":null,"abstract":"<p>A regio- and stereoselective synthesis of a novel isatin–aminorhodanine hybrid heterocycle, a potential kinase inhibitor, was achieved through the condensation of 3-aminorhodanine with isatin in the presence of acetic acid as a catalyst. Although the reaction could theoretically yield three isomers, only one product was obtained. Theoretical analysis combining Conceptual Density Functional Theory (CDFT) and thermodynamic data revealed that acetic acid facilitates the enolization of aminorhodanine, which directs the regio- and stereoselectivity toward the exclusive formation of the observed isomer.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 5","pages":"500 - 509"},"PeriodicalIF":1.4,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148104220","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}

{"title":"Experimental and Theoretical Studies on the Synthesis, Electronic Structure and Biphasic Extraction Properties of Functionalized Thia-Crown Ethers","authors":"B. Çiçek,&nbsp;A. Ergün,&nbsp;Ü. Çalışır,&nbsp;A. Azizoglu","doi":"10.1134/S1990793125701763","DOIUrl":"10.1134/S1990793125701763","url":null,"abstract":"<p>In the present study, three thia-crown ether derivatives (<b>AE1</b>, <b>AE2</b>, <b>AE3</b>) were synthesized using diacyl chlorides and tri(ethylene glycol) dithiol, and characterized by infrared, proton nuclear magnetic resonance, and mass spectrometry. Their metal complexation properties with K⁺, Na⁺, Ag⁺, Ca²⁺, Mg²⁺, Zn²⁺, and Fe²⁺ were investigated using liquid–liquid ion-pair extraction in chloroform and dichloromethane. Extraction efficiencies, equilibrium constant, and Gibbs free energies were calculated. <b>AE1</b> and <b>AE2</b> exhibited the highest extraction efficiencies for K⁺ and Zn²⁺ (&gt;95%), whereas Na⁺ and Ca²⁺ showed the lowest. The solvent type significantly influenced extraction selectivity, with dichloromethane enhancing K⁺ selectivity. The results correlated well with the hard–soft acid–base principle, where <b>AE3</b>, having the highest hardness, favored harder metal ions, while <b>AE1</b> and <b>AE2</b>, being softer, preferred softer or borderline cations. Density Functional Theory calculations supported the experimental findings, providing insights into ligand electronic structures through frontier molecular orbital energy gaps and global hardness values. The study demonstrates that structural differences among ligands and solvent polarity critically affect metal ion selectivity and efficiency.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 4","pages":"396 - 406"},"PeriodicalIF":1.4,"publicationDate":"2026-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738370","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}

{"title":"Enhanced Diamond Surface Etching via Carbothermal Reduction","authors":"C. Wang,&nbsp;J. T. Zhao,&nbsp;N. Wang,&nbsp;C. Lyu,&nbsp;B. Y. Liang","doi":"10.1134/S1990793125701805","DOIUrl":"10.1134/S1990793125701805","url":null,"abstract":"<p>This study employed a Fe₃O₄ and carbon black system to conduct controllable etching of diamond particles through a high-temperature carbothermal reduction reaction, investigating the influence mechanism of carbon black content on the etching effect. The experimental results indicate that during the high-temperature reaction process, a significant carbothermal reduction reaction occurs between Fe₃O₄ and carbon black. When the carbon black content was within an appropriate range, the reaction system exhibits a favorable synergistic etching effect, resulting in a uniform etching morphology on the diamond surface. However, with the continuous increase in carbon black content, the etching effect shows a noticeable declining trend. This study provides a promising controllable etching method for diamond surface modification.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 4","pages":"438 - 445"},"PeriodicalIF":1.4,"publicationDate":"2026-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738819","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}

{"title":"Creating High Electrical Capacity through Synthesis Designing of Ternary Composite with Partial Mole Fraction Combination Containing xLiCrO2, yLiCoO2, and (1 – x – y) LiNi1/2Mn1/2O2 Using Cathodic Electrode in Lithium Ion","authors":"S. Shahriari,&nbsp;M. Monajjemi,&nbsp;F. Mollaamin,&nbsp;M. Rahpayma,&nbsp;A. Ghadami,&nbsp;K. Zarghami","doi":"10.1134/S1990793125701751","DOIUrl":"10.1134/S1990793125701751","url":null,"abstract":"<p>In this work, the high potential properties of LiCrO₂, as an isostructural material with LiCoO₂ was considered for cathode material in lithium ion batteries (LIBs). In addition the lattice parameters and unit-cell position of this compound has also been checked for combination with the structural of LiCoO₂ through refinements of X-ray diffraction patterns and bulk modulus through Birch–Murnaghan equation. The objective of this research is to prepare a composite with lower cost and better cyclability than the other cathode materials in lithium ion battery. A ternary composition with high efficiency and low cost containing LiCrO₂ and LiNi_1/2Mn_1/2O₂, was applied instead of pure LiCoO₂ to reduce usage of the percentage Co amount in cathode materials of LiBs, consequently a benefit would be yielded by reducing the cost and removing the toxic of cobalt, the environment will be safe. In this study, we synthesized ten samples from mixture of <i>x</i>LiCrO₂, <i>y</i>LiCoO₂, and (1 – <i>x</i> – <i>y</i>) LiNi_1/2Mn_1/2O₂ compounds for preparing suitable cathode electrodes with high initial discharge capacity, large cyclability and inexpensive cost instead of traditional cathode materials. As a result by using Raman Analysis, X-ray diffraction, and electrochemical analyzing, we found that the LiNi_1/6Mn_1/6Cr_1/3Co_1/3O₂ composite has high efficiency and best performance in viewpoint of initial capacity, cyclability, charge capacity, and discharge capacity among these ten composites. After Raman analysis, since X-ray photoelectron spectroscopy (XPS) is an advanced method that evaluates the valence, composition percentages and the empirical formula of the elements, we used these methods for some of the samples.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 4","pages":"384 - 395"},"PeriodicalIF":1.4,"publicationDate":"2026-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738369","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}

{"title":"Improvement of Coal Reactivity by Magnetic Field Treatment","authors":"C.-H. Hong,&nbsp;S.-C. Ri,&nbsp;U.-S. Ri,&nbsp;K.-C. Kim,&nbsp;H. Kim,&nbsp;C.-S. Choe","doi":"10.1134/S1990793125701726","DOIUrl":"10.1134/S1990793125701726","url":null,"abstract":"<p>Electromagnetic approaches have been applied to improve the combustion and gasification behavior of coal in different branches of industry. The change in reactivity of coal was investigated while it is exposed to an applied magnetic field. Fourier transform infrared (FTIR) analysis revealed that magnetic field applied to the coal induces absorption at the wavenumber of 2858 and 2924 cm^–1 and enhances the intensity of absorption in the band range between 1407 and 1739 cm^–1. The results show that magnetic field alternates the chemical bonds on some spots of coal molecules, which will lead to the improvement of combustion and gasification behavior of coal. In other words, magnetic field has a catalytic effect by lowering activation energy of chemical reactions in which coal is involved. Thermogravimetric analysis (TGA) revealed that the combustion behavior of coal which is pre-treated by magnetic field, varied according to the strength of magnetic field. The results showed that ignition temperature of coal sample decreased from 484 ± 1°C to 432 ± 1°C when the sample is subjected to the field strength of 400 kA/m. In total, the reactivity of coal was increased by up to 7% when it is pre-treated. Our findings show that magnetic field has a great potential for intensification of coal combustion and gasification process.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 4","pages":"363 - 368"},"PeriodicalIF":1.4,"publicationDate":"2026-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738373","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}

{"title":"Effect of Performance and Emission Characteristics of Waste Transformer Oil Biodiesel Blends in Hydrogen Enriched Compression Ignition Engine","authors":"P. Kumaran,&nbsp;A. Narendran,&nbsp;V. Jagadish,&nbsp;C. Jaiganesh","doi":"10.1134/S199079312570174X","DOIUrl":"10.1134/S199079312570174X","url":null,"abstract":"<p>This study investigates the performance and emission characteristics of waste transformer oil biodiesel (WTBD) blends with 6 lpm of hydrogen induction via intake manifold in a single cylinder Kirloskar TV1 diesel engine. There are four blends WTBD10, WTBD20, WTBD30 and WTBD40 were utilized in this experiment. The experimental results indicate that WTBD10 enhances brake thermal efficiency (BTE) by 1.2% over diesel at 100% load while maintaining competitive values in brake specific energy Consumption (BSEC), outperforming diesel by 1.8 MJ/kW h and everywhere else it appears. at 50% load. The emissions analysis reveals significant reductions in hydrocarbons and carbon monoxide CO, with WTBD40 showing lower hydrocarbon emissions by 26 ppm at 100% load and CO emissions reduced by 0.028% compared to diesel. Although nitrogen oxides emissions increased with higher biodiesel content, WTBD10 exhibited the best performance among the blends, though still higher than diesel by 640 ppm at 100% load. Additionally, smoke emissions decreased notably, with WTBD40 recording a reduction of 40% compared to diesel at full load. Overall, WTBD blends with hydrogen induction demonstrate a promising approach to enhance engine performance and reduce harmful emissions, particularly with WTBD10 providing an optimal balance between efficiency and emissions across various operating conditions.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 4","pages":"377 - 383"},"PeriodicalIF":1.4,"publicationDate":"2026-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738419","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}

{"title":"Copper(II)-Assisted Orcinol Oxidation with Periodate Ion: Micellar and Kinetic Study","authors":"I. U. Nkole,&nbsp;A. Srivastava,&nbsp;P. Sar,&nbsp;I. B. Onyeachu,&nbsp;S. O. Idris","doi":"10.1134/S1990793125701738","DOIUrl":"10.1134/S1990793125701738","url":null,"abstract":"<p>The orcinol negative effect has continued to attract interest, as United Nations sustainability development goal 3 is concerned. The substance belongs to a class of compound that causes eye and skin discomfort and high possibility of cancer. Hence, its Cu(II)-assisted oxidation with periodate ion <span>({text{IO}}_{4}^{ - })</span> and exploration of micellar impact on the process. The studied kinetic parameters reveal a first-order reaction with respect to the concentration of orcinol and <span>({text{IO}}_{4}^{ - })</span> and a one-to-two stoichiometric mole ratio [orcinol] : [<span>({text{IO}}_{4}^{ - })</span>]. The population of electrolyte concentration leads to neither increase nor decrease in the oxidation rate and acid concentration increase result in rate enhancement, whereas the aggregation of cetyltrimethylammonium bromide monomers hastens the oxidation rate. The critical micelle concentration of cetyltrimethylammonium bromide was validated with conductometric and zeta potential inputs. The binding affinity of the substrate with the micelles is strengthened by Piszkiewicz’s model. The evidence of free radicals and intermediate species are positive and transient, respectively. However, total breakdown of orcinol to pyruvate, acetic acid, and carbonic acid in a green reaction system is sustainable and efficient for greater accessibility of a clean environment. The non-spontaneity of the process is supported by the thermodynamic parameters (<span>(Delta H{kern 1pt} ^* = {;} + 37.38{text{ kJ mo}}{{{text{l}}}^{{ - 1}}},{{;;}}Delta G{kern 1pt} ^* = {;} + 73.12{text{ kJ mo}}{{{text{l}}}^{{ - 1}}},{text{ and}},,Delta S{kern 1pt} ^* = {;} - 119.14{text{ J }}{{{text{K}}}^{{ - 1}}}{text{mo}}{{{text{l}}}^{{ - 1}}})</span>).</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"20 4","pages":"369 - 376"},"PeriodicalIF":1.4,"publicationDate":"2026-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147738368","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}