{"title":"Rapid Preparation of C3N4/MgO Composites by Thermal Exfoliation Method and Their Photocatalytic Degradation Properties","authors":"S. S. Xu, Q. Q. Wang, C. W. Lai, J. X. Li","doi":"10.1134/S1990793125700563","DOIUrl":"10.1134/S1990793125700563","url":null,"abstract":"<p>To enhance the photocatalytic performance of C<sub>3</sub>N<sub>4</sub> materials, g-C<sub>3</sub>N<sub>4</sub>/MgO heterojunction composites were efficiently synthesized from C<sub>3</sub>N<sub>4</sub> and Mg(OH)<sub>2</sub> through a rapid heat treatment method. The photocatalytic degradation efficacy of the catalysts was assessed using methylene blue as the target pollutant under simulated solar irradiation. The findings revealed that rapid heat treatment facilitated the oxidative and thermal exfoliation of C<sub>3</sub>N<sub>4</sub> powders, which subsequently formed micron-scale agglomerates upon compositing with MgO derived from the decomposition of Mg(OH)<sub>2</sub>. The resulting C<sub>3</sub>N<sub>4</sub>/MgO composites greatly broadened the spectrum of visible light utilization, thereby enhancing photocatalytic performance. Notably, the g-C<sub>3</sub>N<sub>4</sub>/10% MgO composites exhibited the highest activity, achieving a remarkable 99.2% degradation rate of a methylene blue solution at a concentration of 10 mg/L within 45 min of simulated solar exposure.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"878 - 886"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011633","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 Binary Interaction Parameter on Surface Tension of Binary Refrigerant Fluids: Linear Gradient Theory","authors":"A. Taein, R. Khordad, K. Abbasi","doi":"10.1134/S1990793125700551","DOIUrl":"10.1134/S1990793125700551","url":null,"abstract":"<p>Surface tension (ST), as a thermophysical property, has many applications in industry. Linear gradient theory (GT) is widely used to predict ST. Based on GT and the equation of state of cubic plus association (CPA), a method for calculating the ST of refrigerant mixtures is proposed in this work. Also, a new relationship has been considered for the influence parameter (IP), which is a function of the bulk and vapor phase densities, and it has a variable exponent <span>(n)</span>. At first, the unknown coefficients (<span>(A)</span> and <span>(B)</span>) of the IP were calculated for pure refrigerants, then the binary interaction parameter <span>(left( {{{l}_{{ij}}}} right))</span> was calculated for binary refrigerant mixtures to optimize the proposed model. Finally, the ST of eight binary refrigerants was obtained for different concentrations, and the calculations were repeated for five different powers of the IP. In our calculations, we considered both zero and nonzero binary interaction parameters. The results from this model show that the calculated ST is in good agreement with the experimental values. The best result is related to the binary R32+R134a considering the power of –2.5 in the proposed equation of the IP and proposing the nonzero binary interaction parameter (AAD ~ 1%)</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"868 - 877"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011651","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":"Prediction Model by Adaptive Neuro-Fuzzy Inference System of R600A Vapour Compression Refrigeration System Using Al2O3/TiO2 Composite Nanolubricants","authors":"A. Imthiyas, B. Musthafa, K. Ashish, M. Gobind","doi":"10.1134/S1990793125700617","DOIUrl":"10.1134/S1990793125700617","url":null,"abstract":"<p>This study investigates the enhancement of a vapour compression refrigeration system using Al<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> composite nanolubricants with R600a refrigerant. The main objective is the experiments were performed by varying the nanolubricants concentrations and to find out the optimal concentration. Al<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> blended nano lubricants were used to produce a greater cooling effect of 200 W along with a 30% increase by employing the ANFIS approach, which is superior to results from experiments. The approach of ANFIS was used to obtain the minimum energy utilization of 95 W. The results indicates that, the improved COP of 3.2 with a 28% higher than standard refrigerant. In comparison to experimental results, the usage of Al<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub> composite Nano lubricants resulted in an increase of COP at an optimal level, cooling effect, and a 25% reduction in compressor work to decrease energy consumption when utilizing the ANFIS prediction technique. By dispersing 0.4 g/L in R600a leads in better results in comparison with the system without nano lubricants and other nano lubricants concentrations.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 4","pages":"953 - 960"},"PeriodicalIF":1.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011864","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":"BN Nanocage as Sensor and Adsorbent for Ochratoxin A: DFT Simulations","authors":"P. Niknam Rad, M. R. Jalali Sarvestani, S. Arabi","doi":"10.1134/S1990793125700307","DOIUrl":"10.1134/S1990793125700307","url":null,"abstract":"<p>The study diligently explored the potential uses of the BN nanocage (B<sub>12</sub>N<sub>12</sub>) as an adsorbent and sensor for Ochratoxin A (OA) through density functional theory calculations. This research assessed the interaction between OA and B<sub>12</sub>N<sub>12</sub> across two configurations to identify the most stable arrangement. The study revealed notable interactions that underscored the practicality, exothermic nature, and spontaneity of these processes, thereby confirming the effectiveness of B<sub>12</sub>N<sub>12</sub> as an adsorbent for OA. Additionally, the research assessed how using water as a solvent and varying temperatures influenced the thermodynamic parameters, finding that these factors had a minimal effect on the reactions. However, it was noted that the interactions were slightly more significant in a vacuum and at lower temperatures. The Frontier Molecular Orbital (FMO) analysis showed that B<sub>12</sub>N<sub>12</sub> initially has a bandgap of 14.98 eV, which significantly reduces by roughly 53% to 7.030 eV upon the adsorption of OA. This notable decrease in electrochemical conductivity during OA adsorption suggests that the BN nanocage could be effectively utilized as an analytical signal in the electrochemical detection of OA.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"681 - 687"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169592","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 Lead Acetate on the Performance of HTM-Free Mesoporous Perovskite Solar Cells with Carbon Electrode","authors":"K.-J. Ji, P. Kim, K.-S. Sonu, J.-H. Ri","doi":"10.1134/S1990793125700277","DOIUrl":"10.1134/S1990793125700277","url":null,"abstract":"<p>The Control of the crystal growth of perovskite plays a crucial role in the performance improvement of perovskite solar cells. In this work, we prepared perovskite with lead acetate as a lead source and investigated its effect on the performance of hole transport materials-free perovskite solar cells with carbon electrode. We found that the molar ratio of lead acetate and methyl-ammonium iodide affects the morphology and crystallinity of the prepared perovskite. With the increase of lead acetate content, the performance of the prepared devices improved and the highest efficiency of device was 14.92% at a molar ratio of 1.050 : 3. We used cheap lead acetate to fabricate perovskite solar cells. This study can be attributed to lower fabrication costs of perovskite solar cells and commercialization by combining perovskite with carbon electrode-based perovskite solar cells, which are fabricated using low-cost lead acetate.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"598 - 604"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169646","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":"Comparison between Sodium or Potassium-Ion Batteries and Lithium-Ion Counterparts for Energy-Saving: A Physico-Chemical Study by Density Functional Theory","authors":"F. Mollaamin, M. Monajjemi","doi":"10.1134/S1990793125700319","DOIUrl":"10.1134/S1990793125700319","url":null,"abstract":"<p>As the incremental deficiency of Li resources, it is significant and instant to supersede Li with other earth-abundant elements for electrochemical energy storage devices. While lithium-ion batteries (LIBs) have their difficulties, the demand to improve beyond-lithium batteries goes beyond the issues of sustainability and safety. Accordingly, Na/K-atom energy storage devices, including rechargeable batteries and ionic capacitors with similar energy storage mechanisms to Li-ion devices, have attracted widespread concerns due to the abundant reserves of Na/K and low cost. Therefore, in this article, it has been evaluated the promising alternative alkali metals of sodium-ion and potassium-ion, batteries. A comprehensive investigation on hydrogen grabbing by Li<sub>2</sub>[SnO–SiO], Na<sub>2</sub>[SnO–SiO] or K<sub>2</sub>[SnO–SiO] was carried out including using DFT computations at the “CAM–B3LYP–D3/6-311+G (<i>d</i>,<i>p</i>)” level of theory. The hypothesis of the hydrogen adsorption phenomenon was confirmed by density distributions of CDD, TDOS, and ELF for nanoclusters of Li<sub>2</sub>[SnO–SiO]–2H<sub>2</sub>, Na<sub>2</sub>[SnO–SiO]–2H<sub>2</sub> or K<sub>2</sub>[SnO–SiO]–2H<sub>2</sub>. The fluctuation in charge density values demonstrates that the electronic densities were mainly located in the boundary of adsorbate/adsorbent atoms during the adsorption status. As the advantages of lithium, sodium or potassium over Sn/ Si possess its higher electron and hole motion, allowing lithium, sodium or potassium instruments to operate at higher frequencies than Sn/Si instruments. Among these, sodium-ion batteries seem to show the most promise in terms of initial capacity.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"688 - 700"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169589","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":"Studying the Electronic Properties of the Intraction between the Anticancer Drug Molecule Gemcitabine and Zigzag (10,0) Single-Walled Carbon Nanotubes Using DFT","authors":"M. Kia, S. Alipour, M. H. Pakdaman, M. Bakrani","doi":"10.1134/S1990793125700381","DOIUrl":"10.1134/S1990793125700381","url":null,"abstract":"<p>In this study, the anticancer drug molecule gemcitabine and single-walled zigzag carbon nanotube (10,0) were optimized using density functional theory and the B3LYP method with a 6-31G basis set. The electronic properties of the nanostructures were then examined both before and after the drug molecule was placed inside and outside the carbon nanotube. The calculations revealed that the most effective approach for the gemcitabine drug molecule was from the side of oxygen atom number 20 towards the external surface of the carbon nanotube, resulting in the highest absorption rate. Additionally, placing the drug molecule both inside and outside the nanotube led to an increase in gap energy and a decrease in the electrical conductivity and metallic properties of the nanostructures.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"646 - 655"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169649","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":"Effects of the Environment and Molecular Additives on the Micellization of Hexadecyltrimethylammonium Bromide","authors":"N. Alizadeh, H. Dezhampanah","doi":"10.1134/S1990793125700289","DOIUrl":"10.1134/S1990793125700289","url":null,"abstract":"<p>In this study, the effects of three anionic azo dyes, ponceau 4R (PR), sunset yellow (SY) and titan yellow (TY), on the micellization of the cationic surfactant hexadecyltrimethylammonium bromide (CTAB) in aqueous solutions at different temperatures, K 298.15–328.15, were investigated. Electrical conductivity measurements have been used to determine critical micelle concentrations (CMCs) and hydrophobic and electrostatic interactions in aqueous media for every dye + CTAB solution. One critical micelle concentration (CMC) was found for pure CTAB and every Dye + CTAB system. In the presence of dyes, micelles are formed at lower concentrations. The change in the CMC behavior of CTAB in the presence of dyes indicates that there is a strong interaction between them. Thermodynamic parameters such as the standard enthalpy (<span>(Delta H_{{text{m}}}^{{text{0}}})</span>), standard entropy (<span>(Delta S_{{text{m}}}^{{text{0}}})</span>), and standard Gibbs free energy of micellization (<span>(Delta G_{{text{m}}}^{{text{0}}})</span>) have also been evaluated from the CMC. values of Δ<i>G</i><sup>0</sup> were negative, which illustrates a thermodynamically spontaneous micellization process. In addition, thermodynamic data show that, whether in the presence or absence of dyes, the value of Δ<i>H</i><sup>0</sup> is negative and the value of Δ<i>S</i><sup>0</sup> is positive. However, the values of <i>T</i>Δ<i>S</i><sup>0</sup> are much higher than Δ<i>H</i><sup>0</sup> values, which indicates that the process is entropically driven even though enthalpic effects are favored at higher temperatures.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"605 - 612"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145170031","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":"A Comparative Investigation of the Effect of an External Electric Field on the Generation of Negative Corona Discharge Plasma in Air with the Application of Finite Element Analysis","authors":"E. Poorreza","doi":"10.1134/S1990793125700253","DOIUrl":"10.1134/S1990793125700253","url":null,"abstract":"<p>This study delineates an exhaustive examination of a coaxial direct current corona discharge manifesting under arid atmospheric conditions at standard atmospheric pressure. The geometric parameters and operational conditions display analogies to those conventionally observed in electrostatic precipitators employing a wire-to-plate configuration. The inner electrode is distinguished by a radius of 100 μm, whereas the inter-electrode separation is consistently maintained at 10 cm. The simulations conducted pertain to steady-state conditions, wherein the discharge is perpetuated by the application of a voltage of 45 kV to the inner electrode, with the outer electrode held at ground potential. The influence of the reduction of the inter-electrode distance within the range of approximately 10, 8, 6 cm, and ultimately 4 cm was investigated and the corresponding results were presented. A central emphasis of this inquiry is the generation and transportation of charged particles, along with the ramifications of such phenomena on the current-voltage characteristics of the discharge.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"573 - 581"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145145471","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":"Bulk and Layered MnTe Bandstructure Studies for Solar Cell Applications","authors":"D. S. Jayalakshmi, M. Yukesh, D. Hemanand","doi":"10.1134/S1990793125700344","DOIUrl":"10.1134/S1990793125700344","url":null,"abstract":"<p>The structural, electronic, optical and thermoelectric properties of parent bulk (existing) MnTe and proposed novel layered MnTe have been investigated computationally utilizing the WIEN2K code and the Full-potential—Linearized Augmented Plane Wave approach using Density Functional Theory. In a novel layered MnTe, Mn and Te valence electrons occurs in the valence band maxima of these compounds in the low energy region (0–0.6 Ry). It is evident that the compounds exhibit a significant peak at the Fermi level, indicating their pure conductivity. In electron density plots the outlines surrounding Mn–Mn and Te–Te are indicative of covalent bonding among them. Then there is an existence of mmetallic bonding is seen by the separate contours of Mn and Te. The optical properties of optical conductivity, dielectric function, reflection, refraction and optical absorption are analysed and compared for bulk and layered MnTe to analyse its optical applications. The thermoelectric properties such as Seebeck Coefficient, power factor, thermal and electrical conductivity are computed and used to calculate the thermoelectric figure of merit of MnTe material in both phases. The results sound good for layered MnTe to be an effective photonic material.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 3","pages":"554 - 562"},"PeriodicalIF":1.4,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145145478","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}