Pub Date : 2025-12-01Epub Date: 2025-06-28DOI: 10.1016/j.chphi.2025.100911
Khaled M. AlAqad
A two-step process using hydrothermal and chemical reduction methods was employed to integrate platinum nanoclusters onto zinc oxide nanosheets (ZnO NSs). The intense interaction between the nanoclusters (Pt) and ZnO NSs enhanced the electron transfer rate, resulting in exceptional electrocatalytic activity toward the HER and outstanding durability. In an acidic medium (0.5 M), the developed Pt/ZnO NSs electrocatalyst achieved an overpotential of -44 mV vs. RHE, affording a current density of -10 mA cm−2 with a low Tafel slope of 25 mV dec−1. The Pt/ZnO NSs electrode showed high mass activity (194.3 mA mg−1), 3.4-fold higher than the 20 % Pt/C (57.14 mA mg−1) at an overpotential of -44 mV. The turnover frequency of the Pt/ZnO NSs (0.52 s−1) is higher than that of the 20 % Pt/C (0.166 s−1) electrode. The impedance spectroscopy measurements investigated the strong coupling interaction between the platinum nanoclusters and ZnO NSs, which supports the high HER activity and facilitates electron transfer kinetics. Furthermore, the charge transfer resistance of the Pt/ZnO NSs is less than that of the 20 % Pt/C, which might be ascribed to the strong interaction between ZnO and Pt and the facile electron mobility from the conduction band of ZnO to Pt metal
采用水热法和化学还原法两步法将铂纳米团簇集成到氧化锌纳米片上。纳米团簇(Pt)和ZnO NSs之间的强烈相互作用提高了电子转移速率,从而产生了优异的HER电催化活性和优异的耐久性。在酸性介质(0.5 M)中,开发的Pt/ZnO NSs电催化剂相对于RHE实现了-44 mV的过电位,提供了-10 mA cm - 2的电流密度,低Tafel斜率为25 mV dec -1。Pt/ZnO NSs电极在-44 mV过电位下表现出较高的质量活性(194.3 mA mg−1),比20% Pt/C (57.14 mA mg−1)高3.4倍。Pt/ZnO电极的翻转频率(0.52 s−1)高于20% Pt/C电极的翻转频率(0.166 s−1)。阻抗谱测量研究了铂纳米团簇与ZnO纳米ss之间的强耦合相互作用,支持了高HER活性并促进了电子转移动力学。此外,Pt/ZnO纳米ss的电荷转移电阻小于20% Pt/C纳米ss的电荷转移电阻,这可能是由于ZnO和Pt之间的强相互作用以及电子从ZnO到Pt金属的易迁移性
{"title":"Platinum nanoclusters incorporated on zinc oxide nanosheets with enhanced mass activity for efficient hydrogen production","authors":"Khaled M. AlAqad","doi":"10.1016/j.chphi.2025.100911","DOIUrl":"10.1016/j.chphi.2025.100911","url":null,"abstract":"<div><div>A two-step process using hydrothermal and chemical reduction methods was employed to integrate platinum nanoclusters onto zinc oxide nanosheets (ZnO NSs). The intense interaction between the nanoclusters (Pt) and ZnO NSs enhanced the electron transfer rate, resulting in exceptional electrocatalytic activity toward the HER and outstanding durability. In an acidic medium (0.5 M), the developed Pt/ZnO NSs electrocatalyst achieved an overpotential of -44 mV vs. RHE, affording a current density of -10 mA cm<sup>−2</sup> with a low Tafel slope of 25 mV dec<sup>−1</sup>. The Pt/ZnO NSs electrode showed high mass activity (194.3 mA mg<sup>−1</sup>), 3.4-fold higher than the 20 % Pt/C (57.14 mA mg<sup>−1</sup>) at an overpotential of -44 mV. The turnover frequency of the Pt/ZnO NSs (0.52 s<sup>−1</sup>) is higher than that of the 20 % Pt/C (0.166 s<sup>−1</sup>) electrode. The impedance spectroscopy measurements investigated the strong coupling interaction between the platinum nanoclusters and ZnO NSs, which supports the high HER activity and facilitates electron transfer kinetics. Furthermore, the charge transfer resistance of the Pt/ZnO NSs is less than that of the 20 % Pt/C, which might be ascribed to the strong interaction between ZnO and Pt and the facile electron mobility from the conduction band of ZnO to Pt metal</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100911"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144536174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The textile industry as one of the largest industries in the world has been the biggest contributor to global water pollution in recent decades. Azo dyes such as methylene blue (MB) and methyl orange (MO) contained in the textile effluent can be a serious threat to aquatic ecosystem and human health. Thus, an effort to create an effective dye removal is needed. This study studies the application of dye removal by combining adsorption and photodegradation methods through the use of mesoporous silica/TiO2 thin film fabricated by spin coating. The resulting TiO2 has anatase phase as confirmed by the XRD result, while mesoporous silica has good surface and pore properties, as evidenced by a surface area of 1291.42 m2/g, a pore volume of 1.91 mL/g, and a pore diameter of 3.07 nm. After exposuring to the 10 ppm MB and MO solutions for four hours at a pH of 7, the synthesized mesoporous silica/TiO2 thin film exhibited the best removal performance compared to the mesoporous silica thin film and TiO2 thin film, with removal percentages of 77.90 % and 17.19 % for MB and MO, respectively. The difference in removal performance between MB and MO occurs due to the selective nature of mesoporous silica and TiO2 caused by different interaction mechanisms.
{"title":"TiO2-functionalized mesoporous silica thin films synthesized by spin-coating to enhance methylene blue and methyl orange removal efficiency","authors":"Andreas Federico , Donanta Dhaneswara , Toto Sudiro , Agrin Febrian Pradana , Iping Suhariadi , Siti Norasmah Surip , Jaka Fajar Fatriansyah","doi":"10.1016/j.chphi.2025.100897","DOIUrl":"10.1016/j.chphi.2025.100897","url":null,"abstract":"<div><div>The textile industry as one of the largest industries in the world has been the biggest contributor to global water pollution in recent decades. Azo dyes such as methylene blue (MB) and methyl orange (MO) contained in the textile effluent can be a serious threat to aquatic ecosystem and human health. Thus, an effort to create an effective dye removal is needed. This study studies the application of dye removal by combining adsorption and photodegradation methods through the use of mesoporous silica/TiO<sub>2</sub> thin film fabricated by spin coating. The resulting TiO<sub>2</sub> has anatase phase as confirmed by the XRD result, while mesoporous silica has good surface and pore properties, as evidenced by a surface area of 1291.42 m<sup>2</sup>/g, a pore volume of 1.91 mL/g, and a pore diameter of 3.07 nm. After exposuring to the 10 ppm MB and MO solutions for four hours at a pH of 7, the synthesized mesoporous silica/TiO<sub>2</sub> thin film exhibited the best removal performance compared to the mesoporous silica thin film and TiO<sub>2</sub> thin film, with removal percentages of 77.90 % and 17.19 % for MB and MO, respectively. The difference in removal performance between MB and MO occurs due to the selective nature of mesoporous silica and TiO<sub>2</sub> caused by different interaction mechanisms.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100897"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-25DOI: 10.1016/j.chphi.2025.100900
A.S. Jeevan Chakravarthy , N.R. Sreenatha
The synthesized compound, 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethylcyclohexanone (3) was characterized through NMR spectroscopy and single-crystal X-ray diffraction analysis. The X-ray studies reveals that compound (3) is crystallized in a monoclinic lattice system with the space group:. The structure of molecule as whole adopts a non-planar geometry with puckering environment. The hydrogen bonding interactions of the type CH…O were observed in the crystal packing of title compound (3). These interactions were recognized through computational approach by generating three-dimensional Hirshfeld surfaces with various properties and they are quantified by two-dimensional graphical tool viz. fingerprint analysis. Additionally, the stability and integrity of the crystal packing were assessed by calculating three-dimensional interaction energies using the HF/3-21G energy density model.
{"title":"Synthesis, structure elucidation and computational analysis of a novel organic crystal: 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethyl -cyclohexanone","authors":"A.S. Jeevan Chakravarthy , N.R. Sreenatha","doi":"10.1016/j.chphi.2025.100900","DOIUrl":"10.1016/j.chphi.2025.100900","url":null,"abstract":"<div><div>The synthesized compound, 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethylcyclohexanone (<strong>3</strong>) was characterized through NMR spectroscopy and single-crystal X-ray diffraction analysis. The X-ray studies reveals that compound <strong>(3)</strong> is crystallized in a monoclinic lattice system with the space group:<span><math><msub><mrow><mi>P</mi></mrow><mrow><msub><mrow><mn>2</mn></mrow><mrow><mn>1</mn><mo>/</mo><mi>c</mi></mrow></msub></mrow></msub></math></span>. The structure of molecule as whole adopts a non-planar geometry with puckering environment. The hydrogen bonding interactions of the type C<img>H…O were observed in the crystal packing of title compound <strong>(3)</strong>. These interactions were recognized through computational approach by generating three-dimensional Hirshfeld surfaces with various properties and they are quantified by two-dimensional graphical tool viz. fingerprint analysis. Additionally, the stability and integrity of the crystal packing were assessed by calculating three-dimensional interaction energies using the HF/3-21G energy density model.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100900"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-07-26DOI: 10.1016/j.chphi.2025.100919
Rachid Et-tanteny , Ibrahim Allaoui , Rachid Haloui , Souad Elkhattabi , Khalid Draoui , Karim El Khadiri
Natural Moroccan bentonite (Bnt) exhibited a high adsorption capacity for crystal violet (CV, a cationic dye), reaching 157.37 mg/g. Conversely, its affinity for methyl orange (MO, an anionic dye) was limited (20.14 mg/g). However, the synthesized bentonite-chitosan composite (Bnt-Cs) features protonated amine groups, which enhance electrostatic and hydrogen-bond interactions, increasing the adsorption of MO dye by 76.65%. The kinetic data revealed that MO adsorption followed the pseudo-first-order (PFO) model, whereas CV adsorption was better described by the pseudo-second-order (PSO) model. These two models are governed by distinct diffusion mechanisms. Moreover, the adsorption isotherms for both dyes aligned well with the Freundlich model. Additionally, the Density Functional Theory (DFT) calculations indicated that CV’s narrower HOMO–LUMO gap and higher molecular softness were consistent with its enhanced reactivity and stronger interaction with the adsorbent. Furthermore, the molecular dynamics (MD) simulations confirmed the spontaneous, physically driven nature of the adsorption process. The close agreement between computational predictions and experimental data provides robust validation for the proposed adsorption mechanisms, offering clear mechanistic insights into dye adsorption processes.
{"title":"Mechanistic insights into dye adsorption on chitosan-functionalized bentonite: synergizing experiments and computational study","authors":"Rachid Et-tanteny , Ibrahim Allaoui , Rachid Haloui , Souad Elkhattabi , Khalid Draoui , Karim El Khadiri","doi":"10.1016/j.chphi.2025.100919","DOIUrl":"10.1016/j.chphi.2025.100919","url":null,"abstract":"<div><div>Natural Moroccan bentonite (Bnt) exhibited a high adsorption capacity for crystal violet (CV, a cationic dye), reaching 157.37 mg/g. Conversely, its affinity for methyl orange (MO, an anionic dye) was limited (20.14 mg/g). However, the synthesized bentonite-chitosan composite (Bnt-Cs) features protonated amine groups, which enhance electrostatic and hydrogen-bond interactions, increasing the adsorption of MO dye by 76.65%. The kinetic data revealed that MO adsorption followed the pseudo-first-order (PFO) model, whereas CV adsorption was better described by the pseudo-second-order (PSO) model. These two models are governed by distinct diffusion mechanisms. Moreover, the adsorption isotherms for both dyes aligned well with the Freundlich model. Additionally, the Density Functional Theory (DFT) calculations indicated that CV’s narrower HOMO–LUMO gap and higher molecular softness were consistent with its enhanced reactivity and stronger interaction with the adsorbent. Furthermore, the molecular dynamics (MD) simulations confirmed the spontaneous, physically driven nature of the adsorption process. The close agreement between computational predictions and experimental data provides robust validation for the proposed adsorption mechanisms, offering clear mechanistic insights into dye adsorption processes.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100919"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144725029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-09DOI: 10.1016/j.chphi.2025.100894
Kh.A. Bashar , M.F.N. Jaafar , Y. Mansur , S.O. Baki , M.A. Mahdi
The current study, a new Pb-free glasses of host (H) and four samples (S1-S4) of tellurite-bismuth-tungsten oxide according to formula: (70-x) TeO2–10Bi2O3–10ZnO-10Al2O3- xWO3, x = 0, 5, 10, 15, 20 mol %, were prepared by traditional melt-quenching method. The phase formation of all samples is analyzed by XRD (x-ray diffraction) were found they are without any crystallization network. Some physical properties like density and molar volume were estimated as well. Within energy of 0.015MeV-15MeV, samples are investigated in terms of gamma ray radiation shielding features. The MCNP5 stimulation code and theoretical XCOM software in addition to the other relevant equations are implemented to determine the mass attenuation coefficient (MAC) values where the other parameters are identified depending on its value such as mean free path (MFP), effective atomic number (Zeff) and half-value layer (HVL). Also, the exposure build factor (EBF) and energy absorbed build factor (EABF) are evaluated by the geometric progression (G-P) fitting method. The appearance of synthesized glasses reflects that, the increment of WO3 contents leads to increase the glasses opacity due to their density between 3.532 - 3.912 g/cm3. The uncertainty concentrations of the samples are calculated were they emphasized the accuracy of glass compositions. Moreover, the calculation results of stimulated MCNP5 code and theoretical XCOM program are closely matched, as the difference between them can be neglected. Further, the comparison with other works is made which emphasized the enhancement of the findings. Finally, according to above merits and results, the effectiveness of the radiation shielding features can be obviously recognized which is due to the WO3 incorporated concentrations.
{"title":"Radiation shielding study of tungsten impact on tellurite-bismuth based glasses","authors":"Kh.A. Bashar , M.F.N. Jaafar , Y. Mansur , S.O. Baki , M.A. Mahdi","doi":"10.1016/j.chphi.2025.100894","DOIUrl":"10.1016/j.chphi.2025.100894","url":null,"abstract":"<div><div>The current study, a new Pb-free glasses of host (H) and four samples (S1-S4) of tellurite-bismuth-tungsten oxide according to formula: (70-x) TeO<sub>2</sub>–10Bi<sub>2</sub>O<sub>3</sub>–10ZnO-10Al<sub>2</sub>O<sub>3</sub>- xWO<sub>3</sub>, <em>x</em> = 0, 5, 10, 15, 20 mol %, were prepared by traditional melt-quenching method. The phase formation of all samples is analyzed by XRD (x-ray diffraction) were found they are without any crystallization network. Some physical properties like density and molar volume were estimated as well. Within energy of 0.015MeV-15MeV, samples are investigated in terms of gamma ray radiation shielding features. The MCNP5 stimulation code and theoretical XCOM software in addition to the other relevant equations are implemented to determine the mass attenuation coefficient (MAC) values where the other parameters are identified depending on its value such as mean free path (MFP), effective atomic number (Z<sub>eff</sub>) and half-value layer (HVL). Also, the exposure build factor (EBF) and energy absorbed build factor (EABF) are evaluated by the geometric progression (G-P) fitting method. The appearance of synthesized glasses reflects that, the increment of WO<sub>3</sub> contents leads to increase the glasses opacity due to their density between 3.532 - 3.912 g/cm3. The uncertainty concentrations of the samples are calculated were they emphasized the accuracy of glass compositions. Moreover, the calculation results of stimulated MCNP5 code and theoretical XCOM program are closely matched, as the difference between them can be neglected. Further, the comparison with other works is made which emphasized the enhancement of the findings. Finally, according to above merits and results, the effectiveness of the radiation shielding features can be obviously recognized which is due to the WO<sub>3</sub> incorporated concentrations.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100894"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-11-20DOI: 10.1016/j.chphi.2025.100976
Sadegh Azizi, Mohammad Bagher Askari
In this study, a novel ternary composite of NiO–Fe₂O₃–CuO was successfully synthesized and anchored on MXene (Ti₃C₂) nanosheets via a facile hydrothermal method, using nickel foam as the current collector. The resulting NiO–Fe₂O₃–CuO/MXene composite was thoroughly characterized by XRD, FESEM, and elemental mapping analyses, confirming the coexistence and homogeneous distribution of all constituent phases. Electrochemical evaluations in 2 M KOH electrolyte revealed that the NiO–Fe₂O₃–CuO/MXene electrode exhibits outstanding faradaic activity and enhanced charge storage, as evidenced by its large integrated CV area, pronounced redox peaks, and the highest specific capacitance of 790 F g⁻¹ at 1 A g⁻¹. The composite also demonstrated remarkable rate capability, retaining 74.6% of its capacitance at 4 A g⁻¹, as well as superior cycling stability (91.5% retention after 5000 cycles) compared to NiO–Fe₂O₃–CuO and MXene electrodes. This performance enhancement is attributed to the synergistic effects between the multi-metal oxides and the conductive MXene scaffold, which offers abundant electroactive sites, rapid ion/electron transport, and robust structural integrity. These findings suggest that the NiO–Fe₂O₃–CuO/MXene hybrid is a highly promising electrode material for next-generation high-performance supercapacitors.
在本研究中,以泡沫镍为捕流剂,通过水热法成功合成了一种新型的NiO-Fe₂O₃-CuO三元复合材料,并将其固定在MXene (Ti₃C₂)纳米片上。通过XRD、FESEM和元素图分析对NiO-Fe₂O₃-CuO /MXene复合材料进行了表征,证实了该复合材料各组分相共存且分布均匀。在2 M KOH电解液中的电化学评价表明,NiO-Fe₂O₃-CuO /MXene电极具有良好的法电活性和增强的电荷存储能力,其综合CV面积大,氧化还原峰明显,在1 A g⁻¹处的比电容最高为790 F g⁻¹。与NiO-Fe₂O₃-CuO和MXene电极相比,该复合材料也表现出了显著的倍率能力,在4 A - g⁻¹下保持74.6%的电容,以及优越的循环稳定性(5000次循环后保持91.5%)。这种性能的增强归功于多金属氧化物和导电MXene支架之间的协同作用,MXene支架提供了丰富的电活性位点,快速的离子/电子传输和坚固的结构完整性。这些发现表明,NiO-Fe₂O₃-CuO /MXene杂化材料是下一代高性能超级电容器极有前途的电极材料。
{"title":"Multi-component NiO–Fe₂O₃–CuO anchored on MXene as supercapacitor electrode material","authors":"Sadegh Azizi, Mohammad Bagher Askari","doi":"10.1016/j.chphi.2025.100976","DOIUrl":"10.1016/j.chphi.2025.100976","url":null,"abstract":"<div><div>In this study, a novel ternary composite of NiO–Fe₂O₃–CuO was successfully synthesized and anchored on MXene (Ti₃C₂) nanosheets via a facile hydrothermal method, using nickel foam as the current collector. The resulting NiO–Fe₂O₃–CuO/MXene composite was thoroughly characterized by XRD, FESEM, and elemental mapping analyses, confirming the coexistence and homogeneous distribution of all constituent phases. Electrochemical evaluations in 2 M KOH electrolyte revealed that the NiO–Fe₂O₃–CuO/MXene electrode exhibits outstanding faradaic activity and enhanced charge storage, as evidenced by its large integrated CV area, pronounced redox peaks, and the highest specific capacitance of <strong>790 F g⁻¹ at 1 A g⁻¹</strong>. The composite also demonstrated remarkable rate capability, retaining <strong>74.6%</strong> of its capacitance at 4 A g⁻¹, as well as superior cycling stability (<strong>91.5% retention after 5000 cycles</strong>) compared to NiO–Fe₂O₃–CuO and MXene electrodes. This performance enhancement is attributed to the synergistic effects between the multi-metal oxides and the conductive MXene scaffold, which offers abundant electroactive sites, rapid ion/electron transport, and robust structural integrity. These findings suggest that the NiO–Fe₂O₃–CuO/MXene hybrid is a highly promising electrode material for next-generation high-performance supercapacitors.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100976"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145690398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-14DOI: 10.1016/j.chphi.2025.100901
Latifa Znaidi , Hafsa Diyagh , Ismail Benaicha , Nabil Bouri , Lahoucine El Gana , Haytham El Farri , Kawtar Oukacha , Mounir Fahoume , khalid Nouneh
Copper oxide (CuO) thin films were deposited on glass substrates using the Successive Ionic Layer Adsorption and Reaction (SILAR) method, these films synthesized cationic solution temperatures of room temperature (RT), 65 °C, 75 °C, and 95 °C. The effects of varying cationic solution temperatures on the structural, optical, and photocatalytic properties of the CuO thin films were investigated. Characterization was performed using X-ray diffraction (XRD), UV–visible spectrophotometry (UV–Vis), and scanning electron microscopy (SEM). The XRD and SEM results revealed that all films exhibited a polycrystalline structure with monoclinic phases and good substrate coverage. The optical bandgap energy decreased from 1.92 eV to 1.74 eV as the cationic solution temperature increased. Additionally, the photocatalytic performance was evaluated by measuring the degradation of a 10 ppm tetracycline solution. The efficiencies improved from 11.1 % at RT to 18.4 % at 95 °C. Finally, a numerical analysis was conducted using the SCAPS simulation software, employing the identified optimal bandgap of 1.74 eV for degradation. The simulation involved creating a PN junction device with a CuO HTL and different electron transport layers (ETLs: ZnO, TiO2, WS2 and SnO2), to examine the effect of CuO film thickness and the shallow doping concentrations of the acceptors (CuO) and donors (ETLs) on current density.
{"title":"Effect of bath temperature on physical properties of thin films CuO using the SILAR method: Photocatalytic properties and numerical investigation","authors":"Latifa Znaidi , Hafsa Diyagh , Ismail Benaicha , Nabil Bouri , Lahoucine El Gana , Haytham El Farri , Kawtar Oukacha , Mounir Fahoume , khalid Nouneh","doi":"10.1016/j.chphi.2025.100901","DOIUrl":"10.1016/j.chphi.2025.100901","url":null,"abstract":"<div><div>Copper oxide (CuO) thin films were deposited on glass substrates using the Successive Ionic Layer Adsorption and Reaction (SILAR) method, these films synthesized cationic solution temperatures of room temperature (RT), 65 °C, 75 °C, and 95 °C. The effects of varying cationic solution temperatures on the structural, optical, and photocatalytic properties of the CuO thin films were investigated. Characterization was performed using X-ray diffraction (XRD), UV–visible spectrophotometry (UV–Vis), and scanning electron microscopy (SEM). The XRD and SEM results revealed that all films exhibited a polycrystalline structure with monoclinic phases and good substrate coverage. The optical bandgap energy decreased from 1.92 eV to 1.74 eV as the cationic solution temperature increased. Additionally, the photocatalytic performance was evaluated by measuring the degradation of a 10 ppm tetracycline solution. The efficiencies improved from 11.1 % at RT to 18.4 % at 95 °C. Finally, a numerical analysis was conducted using the SCAPS simulation software, employing the identified optimal bandgap of 1.74 eV for degradation. The simulation involved creating a PN junction device with a CuO HTL and different electron transport layers (ETLs: ZnO, TiO<sub>2</sub>, WS2 and SnO<sub>2</sub>), to examine the effect of CuO film thickness and the shallow doping concentrations of the acceptors (CuO) and donors (ETLs) on current density.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100901"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-08-28DOI: 10.1016/j.chphi.2025.100934
Masoomeh Chaharkam , Maryam Tahmasebpoor , Muge Sari Yilmaz
In this study, activated carbon (AC) derived from oleaster seeds was modified with iron nanoparticles (Fe-AC) and granulated using sodium alginate (NaAlg) via the wet gelation method to develop efficient granular adsorbents. The effects of various parameters, such as mixture pH, type and concentration of the cross-linking solution, initial mass ratio of NaAlg to Fe-AC, drying method, and final granule size were investigated in terms of both the physical appearance of the granules and their performance in removing crystal violet (CV) and methylene blue (MB) dyes. The selected granules were prepared under optimal conditions: a pH of 7, an iron (III) chloride cross-linking solution with a concentration of 2 % w/v, an initial alginate to Fe-AC ratio of 1:4, air-drying, and an initial granule size of 1 mm. Analytical techniques including FTIR, SEM-EDX, and BET confirmed the successful incorporation of iron nanoparticles within the adsorbent framework and revealed a well-developed porous structure with a specific surface area of 47.306 m²/g. Under these optimal conditions, the highest removal efficiencies achieved were 96.29 % for CV and 94.26 % for MB, with maximum adsorption capacities of 14.2857 mg/g for CV (single system) and 9.7370 mg/g for the binary CV/MB system, according to the Langmuir isotherm. These results demonstrate that the synthesized Fe-AC/NaAlg granules combine high adsorption efficiency with ease of separation, mechanical stability, and reusability, making them a promising and scalable adsorbent for industrial wastewater treatment, particularly in textile and dyeing applications where removal of cationic dyes is critical.
{"title":"Systematic optimization of alginate gelation parameters in the synthesis of oleaster-based magnetic granules for enhanced binary cationic dye removal","authors":"Masoomeh Chaharkam , Maryam Tahmasebpoor , Muge Sari Yilmaz","doi":"10.1016/j.chphi.2025.100934","DOIUrl":"10.1016/j.chphi.2025.100934","url":null,"abstract":"<div><div>In this study, activated carbon (AC) derived from oleaster seeds was modified with iron nanoparticles (Fe-AC) and granulated using sodium alginate (NaAlg) via the wet gelation method to develop efficient granular adsorbents. The effects of various parameters, such as mixture pH, type and concentration of the cross-linking solution, initial mass ratio of NaAlg to Fe-AC, drying method, and final granule size were investigated in terms of both the physical appearance of the granules and their performance in removing crystal violet (CV) and methylene blue (MB) dyes. The selected granules were prepared under optimal conditions: a pH of 7, an iron (III) chloride cross-linking solution with a concentration of 2 % w/v, an initial alginate to Fe-AC ratio of 1:4, air-drying, and an initial granule size of 1 mm. Analytical techniques including FTIR, SEM-EDX, and BET confirmed the successful incorporation of iron nanoparticles within the adsorbent framework and revealed a well-developed porous structure with a specific surface area of 47.306 m²/g. Under these optimal conditions, the highest removal efficiencies achieved were 96.29 % for CV and 94.26 % for MB, with maximum adsorption capacities of 14.2857 mg/g for CV (single system) and 9.7370 mg/g for the binary CV/MB system, according to the Langmuir isotherm. These results demonstrate that the synthesized Fe-AC/NaAlg granules combine high adsorption efficiency with ease of separation, mechanical stability, and reusability, making them a promising and scalable adsorbent for industrial wastewater treatment, particularly in textile and dyeing applications where removal of cationic dyes is critical.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100934"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-22DOI: 10.1016/j.chphi.2025.100905
M. Manojkumar , M. Mayilsamy
Cinnamon trees are small evergreens with aromatic bark and leaves. The spice, consisting of the dried inner aromatic bark, brown in color and has a delicately fragrant aroma. The present study explores pharmacological properties of Lauraceae Family - Cinnamomum walaiwarense, a lesser-known and critically endangered species, is endemic to the biodiverse South-Western Ghats of India. The spices from the dried inner bark, is brown with a sweet, aromatic fragrance. Bark samples were sequentially extracted in organic solvents ethylacetate into five different concentrations. The resulting extracts were evaluated for presence of secondary metabolites through standard phytochemical assays. Saponins were identified as the most abundant phytoconstituents, along with other known compounds. To assess the therapeutic significance of secondary metabolites, the ethyl acetate extract further examined for anti-cancer, anti-inflammatory, antioxidant, and anti-diabetic properties through established in-vitro assays. The extract demonstrated promising bioactivity across the carried assays, suggesting a broad-spectrum pharmacological potential. These findings reveals valuable preliminary evidence supporting the medicinal significance of C. walaiwarense, while also underpinning the ecological determination of conserving this rare endemic species. This study supports further pure compound isolation and in-vivo validation, spotlighting the untapped therapeutic potential of the underexplored species
{"title":"In vitro pharmacological activities and phytochemical investigation of Cinnamomum walaiwarense Kosterm","authors":"M. Manojkumar , M. Mayilsamy","doi":"10.1016/j.chphi.2025.100905","DOIUrl":"10.1016/j.chphi.2025.100905","url":null,"abstract":"<div><div>Cinnamon trees are small evergreens with aromatic bark and leaves. The spice, consisting of the dried inner aromatic bark, brown in color and has a delicately fragrant aroma. The present study explores pharmacological properties of Lauraceae Family - <em>Cinnamomum walaiwarense</em>, a lesser-known and critically endangered species, is endemic to the biodiverse South-Western Ghats of India. The spices from the dried inner bark, is brown with a sweet, aromatic fragrance. Bark samples were sequentially extracted in organic solvents ethylacetate into five different concentrations. The resulting extracts were evaluated for presence of secondary metabolites through standard phytochemical assays. Saponins were identified as the most abundant phytoconstituents, along with other known compounds. To assess the therapeutic significance of secondary metabolites, the ethyl acetate extract further examined for anti-cancer, anti-inflammatory, antioxidant, and anti-diabetic properties through established in-vitro assays. The extract demonstrated promising bioactivity across the carried assays, suggesting a broad-spectrum pharmacological potential. These findings reveals valuable preliminary evidence supporting the medicinal significance of <em>C. walaiwarense</em>, while also underpinning the ecological determination of conserving this rare endemic species. This study supports further pure compound isolation and in-vivo validation, spotlighting the untapped therapeutic potential of the underexplored species</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100905"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nickel Sulfide–Zinc Sulfide Quantum Dots (NiS-ZnS QDs) have gained attention as efficient photocatalysts for breaking down organic dyes due to their adjustable optoelectronic characteristics and improved photocatalytic efficiency. In the present work, NiS, ZnS, and NiS-ZnS QDs were prepared using a chemical precipitation approach and thoroughly analysed through characterization techniques. The incorporation of Ni into the ZnS lattice was found to significantly modulate the band gap, facilitating improved visible light absorption. The photocatalytic performance of the synthesized NiS-ZnS QDs was evaluated through the degradation of Methylene Blue (MB) and Rose Bengal (RB) under visible-light irradiation. The results demonstrated a substantial enhancement in dye degradation efficiency compared to ZnS QDs and NiS, attributed to the suppression of electron-hole recombination, increased generation of reactive oxygen species (ROS), and improved charge carrier separation. Remarkably, the NiS-ZnS QDs achieved degradation efficiencies of 96.91 % for MB and 97.12 % for RB under visible light exposure, showcasing their superior photocatalytic activity. These findings highlight the potential of NiS-ZnS QDs as a highly efficient and economically viable photocatalyst for sustainable wastewater treatment applications. Furthermore, the efficient degradation of mixed dye solutions highlights the practical applicability of the photocatalyst, underscoring its potential for real-world wastewater treatment applications. Tuning the optical and electronic properties of these quantum dots via nickel doping offers promising opportunities for designing advanced photocatalytic materials aimed at environmental cleanup.
{"title":"NiS-ZnS quantum dots as visible-light photocatalysts for enhanced dye degradation in sustainable wastewater treatment","authors":"Vigneshwaran Alagarsamy , Nachimuthu Venkatesh , S Ahamed Roshan , Sakthivel Pandurengan , Lalitha Gnanasekaran , Kanagasabai Viswanathan , Govindhasamy Murugadoss","doi":"10.1016/j.chphi.2025.100912","DOIUrl":"10.1016/j.chphi.2025.100912","url":null,"abstract":"<div><div>Nickel Sulfide–Zinc Sulfide Quantum Dots (NiS-ZnS QDs) have gained attention as efficient photocatalysts for breaking down organic dyes due to their adjustable optoelectronic characteristics and improved photocatalytic efficiency. In the present work, NiS, ZnS, and NiS-ZnS QDs were prepared using a chemical precipitation approach and thoroughly analysed through characterization techniques. The incorporation of Ni into the ZnS lattice was found to significantly modulate the band gap, facilitating improved visible light absorption. The photocatalytic performance of the synthesized NiS-ZnS QDs was evaluated through the degradation of Methylene Blue (MB) and Rose Bengal (RB) under visible-light irradiation. The results demonstrated a substantial enhancement in dye degradation efficiency compared to ZnS QDs and NiS, attributed to the suppression of electron-hole recombination, increased generation of reactive oxygen species (ROS), and improved charge carrier separation. Remarkably, the NiS-ZnS QDs achieved degradation efficiencies of 96.91 % for MB and 97.12 % for RB under visible light exposure, showcasing their superior photocatalytic activity. These findings highlight the potential of NiS-ZnS QDs as a highly efficient and economically viable photocatalyst for sustainable wastewater treatment applications. Furthermore, the efficient degradation of mixed dye solutions highlights the practical applicability of the photocatalyst, underscoring its potential for real-world wastewater treatment applications. Tuning the optical and electronic properties of these quantum dots via nickel doping offers promising opportunities for designing advanced photocatalytic materials aimed at environmental cleanup.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100912"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}