Russian Journal of Physical Chemistry B最新文献_第2页

Monotiring of Zinc Oxide and Zinc Sulfide-Based as Smart Nanomaterials for Water Treatment Through Electron Transfer Characteristics and Density of States Analysis: A Quantum Chemistry Study 基于电子转移特性和态密度分析的氧化锌和硫化锌基智能纳米水处理材料的单聚：量子化学研究

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700605

F. Mollaamin, M. Monajjemi

{"title":"Monotiring of Zinc Oxide and Zinc Sulfide-Based as Smart Nanomaterials for Water Treatment Through Electron Transfer Characteristics and Density of States Analysis: A Quantum Chemistry Study","authors":"F. Mollaamin, M. Monajjemi","doi":"10.1134/S1990793125700605","DOIUrl":"10.1134/S1990793125700605","url":null,"abstract":"The world encounters an increasing challenge for adequate clean water owing to threats coming from enhancing request and reducing supply. In nanoscale, zinc oxide and zinc sulfide have indicated antimicrobial properties which make its potential great for different applications. We employ first-principles calculations to investigate the structural stability and electronic properties of cubic zinc oxide (ZnO) and zinc sulfide (ZnS) heteroclusters with H2O molecules adsorbed on them. A comprehensive investigation on H2O grabbing by ZnO/ZnS heteroclusters was carried out using density functional theory (DFT) computations at the Coulomb-attenuating method–Becke, 3-parameter, Lee–Yang–Parr with Dispersion–corrected (CAM–B3LYP–D3/6–311+G(d, p)) level of theory. The notable fragile signal intensity close to the parallel edge of the nanocluster sample might be owing to H/OH binding induced non-spherical distribution of ZnO or ZnS heterocluster. The hypothesis of the energy adsorption phenomenon was confirmed by density distributions of charge density differences, total density of states and molecular electrostatic potential for ZnO/ZnO(H2O) or ZnS/ZnS(H2O). A vaster jointed area engaged by an isosurface map for H/OH adsorption on ZnO or ZnS surface towards formation of ZnO(H2O) or ZnS(H2O) complex. Therefore, it can be considered that zinc in the functionalized ZnO or ZnS might have more impressive sensitivity for accepting the electrons in the process of H/OH adsorption. It is considerable that when all surface atoms of ZnO or ZnS are coated by OH and H groups, the semiconducting behavior is recovered.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"943 - 952"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011574","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

Effect of an External Electric Field on the Performance of an Electroosmotically-Driven Micromixer with Triangular-Shaped Electrodes: Design and Simulation 外电场对三角电极电渗透驱动微混合器性能的影响：设计与仿真

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700642

Elnaz Poorreza

{"title":"Effect of an External Electric Field on the Performance of an Electroosmotically-Driven Micromixer with Triangular-Shaped Electrodes: Design and Simulation","authors":"Elnaz Poorreza","doi":"10.1134/S1990793125700642","DOIUrl":"10.1134/S1990793125700642","url":null,"abstract":"An electroosmosis micromixer is an essential element within microfluidic systems, designed to effectively facilitate the mixing of fluids at the microscale. These devices are essential across various scientific disciplines, such as chemistry, biology, and medicine, due to their ability to manipulate minute volumes with extraordinary precision and minimal reagent loss. Electroosmosis can be defined as the movement of fluids through micro/nano-channels, driven by an externally applied electric field. In the current investigation, a micromixer that is driven by electroosmosis phenomena, has been developed to combine two disparate fluids, which are introduced into the system through separate inlets, resulting in a combined microchannel. To improve this mixing system, a sinusoidal electric potential is systematically applied across the triangular-shaped electrodes, characterized by a peak value of 0.1 V and an operational frequency of 8 Hz. The simulation results obtained from this configuration indicate that the micromixer demonstrates an exceptional mixing efficiency approaching a value of 0.96, thereby highlighting its considerable potential for beneficial applications across a diverse array of fields, particularly within microfluidics, biochemistry, and biomedical sciences.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"1003 - 1010"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011655","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

Effects of the Divalent Metal Ions on Lecithin Liposomes 二价金属离子对卵磷脂脂质体的影响

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700575

L. N. Shishkina, P. D. Beletskaya, A. S. Dubovik, A. V. Mashukova, V. O. Shvydkiy

{"title":"Effects of the Divalent Metal Ions on Lecithin Liposomes","authors":"L. N. Shishkina, P. D. Beletskaya, A. S. Dubovik, A. V. Mashukova, V. O. Shvydkiy","doi":"10.1134/S1990793125700575","DOIUrl":"10.1134/S1990793125700575","url":null,"abstract":"The mechanism of participation of MnCl2, ZnCl2, CdCl2 and PbCl2 salts in different stages of lipid peroxidation (LP) processes in liposomes formed from natural lipids (lecithin of soybeans) in distilled water was studied, using mathematical processing of UV-spectra of liposomes and their mixtures of metal ions by the Gauss method in combination with the study of the effect of metal ions on spontaneous aggregation of liposomes (dynamic light scattering method) and the intensity of bacterial bioluminescence. While all metal ions at the studied concentration of 10–4 mol/L are considered as damaging substances for biological systems, the degree of toxicity of both pollutants (Pb2+ and Cd2+) and biogenic manganese and zinc ions is due to differences in their participation in the regulation of LP processes. Thus, the biological effectiveness of Cd2+ is mainly related to its ability to initiate LP. The Pb2+ affects its inhibitory effect on LP by forming complexes with the polar groups of phospholipids, the diene conjugates, and the ketodiene fatty acids found within liposomes. Mn2+ inhibits LP by forming complexes with ketodiene fatty acids and phosphate groups of phospholipids, while Zn2+ affects the structural state of liposomes by forming complexes with phosphate groups of phospholipids and diene conjugates.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"914 - 920"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011634","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

Study on Nitrogen Doped Hollow Cubic Carbon Electromagnetic Wave Absorbing Materials 氮掺杂空心立方碳电磁波吸波材料的研究

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S199079312570054X

F. H. Huang, F. Yan, Z. J. Jing, J. W. Wen, S. Y. Li, Y. Chen

{"title":"Study on Nitrogen Doped Hollow Cubic Carbon Electromagnetic Wave Absorbing Materials","authors":"F. H. Huang, F. Yan, Z. J. Jing, J. W. Wen, S. Y. Li, Y. Chen","doi":"10.1134/S199079312570054X","DOIUrl":"10.1134/S199079312570054X","url":null,"abstract":"Carbon based materials have the characteristics of light weight, adjustable dielectric and stable performance, so they have become the most concerned wave absorbing materials. In this paper, phenolic resin was prepared with sodium chloride as template, and then L-lysine as nitrogen source was used to add nitrogen into phenolic resin, and the final nitrogen doped hollow cubic carbon material was obtained by etching after carbonization. During the experiment, the material with excellent wave absorbing performance was prepared by controlling the doping amount of nitrogen element. Finally, it was found that the nitrogen-doped hollow cubic carbon wave absorbing material could obtain the best reflection loss of –50.26 dB and the maximum effective bandwidth of 4.68 GHz at the extremely low load of 1.75 wt %. The one-component wave absorbing material can have good absorbing performance under very low load, which can become the best candidate material for lightweight and efficient electromagnetic wave absorber without adding other materials, and achieve the purpose of “wide, strong, light and thin.”","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"844 - 852"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011859","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

Probing the Impact of Buffer Layer on CuGaSe2 Based Solar Cells for Photovoltaic Performance 探讨缓冲层对CuGaSe2基太阳能电池光伏性能的影响

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700526

S. Si Abdallah, B. Zaidi, A. Sait Alali, H. Al-Dmour

{"title":"Probing the Impact of Buffer Layer on CuGaSe2 Based Solar Cells for Photovoltaic Performance","authors":"S. Si Abdallah, B. Zaidi, A. Sait Alali, H. Al-Dmour","doi":"10.1134/S1990793125700526","DOIUrl":"10.1134/S1990793125700526","url":null,"abstract":"With a particular focus on addressing environmental sustainability challenges, this study investigates the impact of buffer layers on the efficiency of CuGaSe2 based solar cells using SCAPS simulation software program. The research examines how variations in absorber layer thickness, series resistance (RS), and shunt resistance (RSh) affect electrical properties such as open-circuit voltage (VOC), short-circuit current density (Jsc), and overall efficiency. Additionally, the influence of acceptor density (NA) and donor density (ND) on performance was analysed. The increasing the absorber layer thickness improves short-circuit current density (Jsc) by enhancing light absorption, which leads to more electron-hole pairs being generated. However, thicker layers also increase the distance charge carriers must travel, raising the likelihood of recombination, which reduces open-circuit voltage (Voc). Additionally, thicker layers may introduce higher series resistance and non-ideal contact effects, further lowering Voc. The optimal thickness was determined to be 0.5 µm, resulting in efficiencies of 21.09% for CdTe cells and 28.58% for CdS cells. Transitioning from CdTe to CdS buffer layers further enhances efficiency, while higher shunt resistance and donor density, alongside lower series resistance, contribute to improved performance. These results emphasize the importance of optimized CuGaSe2-based solar cells performance parameters scuh as buffer layer thickness, acceptor defect density, donor defect density, series and shunt resistance on higher efficiency and better performance of the solar cells. The study provides a direction for more efficient renewable energy solutions which hold promise for sustainable future by reducing dependence on fossil fuels and mitigating carbon emissions.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"824 - 829"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011650","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

Synthesis of Phosphorus-Doped MnCo2S4 Nanosheet-Based Porous Spheres for Hybrid Supercapacitors 杂化超级电容器用掺磷MnCo2S4纳米片多孔球的合成

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700678

Z. Sheibanizadeh, Z. Khalaj, K. Behzad, M. Z. Pedram, M. Monajjemi

{"title":"Synthesis of Phosphorus-Doped MnCo2S4 Nanosheet-Based Porous Spheres for Hybrid Supercapacitors","authors":"Z. Sheibanizadeh, Z. Khalaj, K. Behzad, M. Z. Pedram, M. Monajjemi","doi":"10.1134/S1990793125700678","DOIUrl":"10.1134/S1990793125700678","url":null,"abstract":"Phosphorus-doped MnCo2S4 hollow spheres with a heterogeneous, nanosheet-assembled architecture were synthesized via a simple gas–liquid diffusion method under ambient conditions, in contrast to conventional hydrothermal and gas-phase phosphating techniques. Ammonia diffusion into a homogeneous manganese–cobalt sulfate solution led to the formation of well-dispersed hollow spheres with lamellar structures, promoting efficient electron transport and enhanced electrochemical activity. Phosphorus atoms partially substituted sulfur in the lattice, generating abundant vacancies that improved conductivity and charge transfer kinetics. The resulting electrode exhibited a high specific capacity of 928.2 C g–1 at 1 A g–1 and excellent cycling stability, retaining 93.8% of its capacity after 10 000 cycles. A hybrid supercapacitor was assembled using the phosphorus-doped MnCo2S4 as the cathode and activated carbon as the anode in 6 M KOH electrolyte. The device delivered a specific capacity of 225.6 C g–1 at 1 A g–1, retained 75.5% capacity at 30 A g–1, and achieved a high energy density of 55.8 Wh kg–1 with a power density up to 24453.6 W kg–1, demonstrating excellent rate performance and long-term stability.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"853 - 867"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011568","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

Experimental Investigation and Central Composite Design Modeling Optimization of Dual Biodiesel Mixture in CI Engine Parameters 双生物柴油混合气CI发动机参数试验研究及中心复合设计建模优化

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700666

G. A. C. Jayaseelan, M. A. P. Ashim, S. Srinivas, P. Rajendran

{"title":"Experimental Investigation and Central Composite Design Modeling Optimization of Dual Biodiesel Mixture in CI Engine Parameters","authors":"G. A. C. Jayaseelan, M. A. P. Ashim, S. Srinivas, P. Rajendran","doi":"10.1134/S1990793125700666","DOIUrl":"10.1134/S1990793125700666","url":null,"abstract":"The current study involves the renewed biodiesel derived from non-edible as Juliflora and Candlenut oil into biodiesel using a two-stage trans esterification process. The physiochemical characteristics of biodiesels are analyzed and experiments are carried out employing a single-cylinder four-stroke diesel engine to test several biodiesel blends as B0, B20, B30 and B40 for, performance, and emission characteristics and experimental outcomes were analysed using Central composite modelling optimization. The results indicates the brake specific fuel consumption (0.285 kg/kW h) lower and the Brake thermal efficiency 31.8% higher for the 20% blended diesel. These values are comparable to diesel, with variations of 3.7 and 3.2% respectively. During the experiment, the emission parameters of HC, CO, and smoke were 17.67, 8.2, and 9.45% respectively, lower for CJ20 blend than diesel. Nevertheless, NOx emission is 4.2% higher than base fuel, while minimal difference and among the lower than other blends. Furthermore, the Central composite design was developed and find the optimal results of a CI engine achieved. Overall results confirm that 20% CJ biodiesel blended diesel is the alternate of the standard diesel.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"816 - 823"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011572","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

Modeling of Cr3+ Doped TiO2 (Rutile) Single Crystals Cr3+掺杂TiO2（金红石）单晶的建模

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700472

M. Bharati, V. Singh, R. Kripal

引用次数: 0

Mechanical Model of Erythrocyte: Allostery at the Cellular Level? 红细胞的力学模型：细胞水平的变构？

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-09-09 DOI: 10.1134/S1990793125700514

S. G. Gevorkian, D. S. Gevorgyan, Y. A. Dyakov

引用次数: 0

Rapid Ti–TiC Plating of Diamond Particle Sufraces by Thermal Explosion 金刚石颗粒表面热爆炸快速镀Ti-TiC