Pub 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":"2025-06-14","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}
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":"2025-06-10","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 : 2025-06-09DOI: 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":"2025-06-09","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}
Ceramics based on Barium Strontium Magnesium Titanate ((Ba₀.₈₅Sr₀.₁₅)₁₋ₓMgₓTiO₃) were synthesized via the conventional sol-gel method, with different compositions (x = 0, 2, 4, 6, 8, and 12 mol.%). The resultant powders were calcined at 950°C for 4 hours to stabilize the phase formation. The X-ray diffraction (XRD) analysis, combined with Rietveld refinement using FullProf, verified that undoped samples exhibit a tetragonal structure belonging to the P4mm space group, whereas the incorporation of Mg led to the emergence of a hexagonal phase associated with the R-3 space group. Intermediate compositions exhibited a coexistence of tetragonal and hexagonal phases, without secondary phases. Fourier-transform infrared spectroscopy (FTIR) analysis identified distinctive absorption bands within the 450–600 cm⁻¹ range, attributed to the stretching and bending vibrations of TiO₆ octahedra. Scanning electron microscopy (SEM) images indicated improved densification and reduced grain size, with x = 6 mol.% showcasing a uniform grain distribution and higher density. The average particle size, estimated using Williamson-Hall plots, was found to be in the range of 125–140 nm with an uncertainty of approximately 5–10 %. Dielectric characterization across the frequency range of 1 kHz to 2 MHz demonstrated a diffuse phase transition, with the dielectric permittivity (εr) increasing significantly with Mg doping. Additionally, the dielectric response exhibited broad thermal stability, making these ceramics promising candidates for advanced microelectronic applications. Impedance spectroscopy showed a decrease in grain and grain boundary resistances with increasing Mg²⁺ content, along with an increase in capacitance values, indicating improved charge transport and interfacial polarization. The observed non-Debye relaxation and slight rise in activation energy confirm thermally activated conduction mechanisms influenced by Mg doping. This study highlights the impact of Mg incorporation on the electromechanical, structural, microstructural, and dielectric properties of ((Ba₀.₈₅Sr₀.₁₅)₁₋ₓMgₓTiO₃) ceramics, paving the way for advancements in multifunctional materials.
{"title":"Multifunctional properties of Mg-doped (Ba0.85Sr0.15)TiO3 ceramics: A combined structural, dielectric, electromechanical, and impedance analysis","authors":"Mohammed Mesrar , Laila Mesrar , Taj-dine Lamcharfi , Abdelhalim Elbasset , Farid Abdi , Nor-Said Echatoui , Lhaj El Hachemi Omari","doi":"10.1016/j.chphi.2025.100895","DOIUrl":"10.1016/j.chphi.2025.100895","url":null,"abstract":"<div><div>Ceramics based on Barium Strontium Magnesium Titanate ((Ba₀.₈₅Sr₀.₁₅)₁₋ₓMgₓTiO₃) were synthesized via the conventional sol-gel method, with different compositions (x = 0, 2, 4, 6, 8, and 12 mol.%). The resultant powders were calcined at 950°C for 4 hours to stabilize the phase formation. The X-ray diffraction (XRD) analysis, combined with Rietveld refinement using FullProf, verified that undoped samples exhibit a tetragonal structure belonging to the P4mm space group, whereas the incorporation of Mg led to the emergence of a hexagonal phase associated with the R-3 space group. Intermediate compositions exhibited a coexistence of tetragonal and hexagonal phases, without secondary phases. Fourier-transform infrared spectroscopy (FTIR) analysis identified distinctive absorption bands within the 450–600 cm⁻¹ range, attributed to the stretching and bending vibrations of TiO₆ octahedra. Scanning electron microscopy (SEM) images indicated improved densification and reduced grain size, with x = 6 mol.% showcasing a uniform grain distribution and higher density. The average particle size, estimated using Williamson-Hall plots, was found to be in the range of 125–140 nm with an uncertainty of approximately 5–10 %. Dielectric characterization across the frequency range of 1 kHz to 2 MHz demonstrated a diffuse phase transition, with the dielectric permittivity (εr) increasing significantly with Mg doping. Additionally, the dielectric response exhibited broad thermal stability, making these ceramics promising candidates for advanced microelectronic applications. Impedance spectroscopy showed a decrease in grain and grain boundary resistances with increasing Mg²⁺ content, along with an increase in capacitance values, indicating improved charge transport and interfacial polarization. The observed non-Debye relaxation and slight rise in activation energy confirm thermally activated conduction mechanisms influenced by Mg doping. This study highlights the impact of Mg incorporation on the electromechanical, structural, microstructural, and dielectric properties of ((Ba₀.₈₅Sr₀.₁₅)₁₋ₓMgₓTiO₃) ceramics, paving the way for advancements in multifunctional materials.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100895"},"PeriodicalIF":3.8,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144272536","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}
In this article, the fabrication of Na2B4O7-SiO2CaO-Fe2O3 glasses were investigated to conclude the effectively of CaO replacement by Fe2O3. The density demonstrations rise from 2.37 for BSFe-0 to 3.43 for BSFe-2 whereas, the molar volume decreases from 69.80 for BSFe-0 to 48.83 for BSFe-2, with the higher Fe2O3 content. The longitudinal (m/s) and shear () velocity values of BSFe glass samples are increased. The , increments progressively from 4507 for BSFe-0 to 5074 for BSFe-2. Likewise, the , increments from 2211 for BSFe-0 to 2597 for BSFe-2. The increment in elastic moduli with the addition of Fe2O3, making the BSFe glasses more resistant to stress. Likewise, the theoretical results support well with experimental values, establishing the reliability of the observations. The trend in MAC values for BSFe glasses follows the order: BSFe-2 > BSFe-1.5 > BSFe-1 > BSFe-0.5 > BSFe-0. Among the glass samples, BSFe-2 establishes superior shielding ability. BSFe-2′s excellent performance makes it an effective option for applications requiring high radiation shielding efficiency, such as medical, industrial, or nuclear fields.
{"title":"Fe2O3−modified Na2B4O7-SiO2CaO glasses: Synergistic effects on gamma-ray attenuation and mechanical performance","authors":"Dalal Abdullah Aloraini , Aljawhara Almuqrin , Badriah Albarzan , E.A. Abdel Wahab , Kh.S. Shaaban","doi":"10.1016/j.chphi.2025.100896","DOIUrl":"10.1016/j.chphi.2025.100896","url":null,"abstract":"<div><div>In this article, the fabrication of Na<sub>2</sub>B<sub>4</sub>O<sub>7</sub>-SiO<sub>2</sub><sub><img></sub>CaO-Fe<sub>2</sub>O<sub>3</sub> glasses were investigated to conclude the effectively of CaO replacement by Fe<sub>2</sub>O<sub>3</sub>. The density demonstrations rise from 2.37 for BSFe-0 to 3.43 for BSFe-2 whereas, the molar volume decreases from 69.80 for BSFe-0 to 48.83 for BSFe-2, with the higher Fe<sub>2</sub>O<sub>3</sub> content. The longitudinal (<span><math><msub><mi>V</mi><mi>L</mi></msub></math></span>m/s) and shear (<span><math><msub><mi>V</mi><mi>T</mi></msub></math></span>) velocity values of BSFe glass samples are increased. The <span><math><msub><mi>V</mi><mi>L</mi></msub></math></span>, increments progressively from 4507 for BSFe-0 to 5074 for BSFe-2. Likewise, the <span><math><msub><mi>V</mi><mi>T</mi></msub></math></span>, increments from 2211 for BSFe-0 to 2597 for BSFe-2. The increment in elastic moduli with the addition of Fe<sub>2</sub>O<sub>3</sub>, making the BSFe glasses more resistant to stress. Likewise, the theoretical results support well with experimental values, establishing the reliability of the observations. The trend in MAC values for BSFe glasses follows the order: BSFe-2 > BSFe-1.5 > BSFe-1 > BSFe-0.5 > BSFe-0. Among the glass samples, BSFe-2 establishes superior shielding ability. BSFe-2′s excellent performance makes it an effective option for applications requiring high radiation shielding efficiency, such as medical, industrial, or nuclear fields.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100896"},"PeriodicalIF":3.8,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144272546","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}
This study presents photon-photon coupling (PPC) in a microwave hybrid system consisting of a Split Ring Resonator (SRR) and a Complementary Split Ring Resonator (CSRR), both acting as photon modes. Numerical simulations using CST Microwave Studio were performed to design the system and analyze the anticrossing phenomenon between the photon modes (SRR and CSRR) by examining the || versus frequency spectra while varying the size of the CSRR. Additionally, we provide a theoretical framework to explain the observed anticrossing phenomenon due to photon-photon interaction, which shows strong agreement with the simulation. Furthermore, we explore the influence of the substrate's dielectric constant (εr) on the PPC by estimating the coupling constant for different εr values. The results indicate that the coupling strength decreases as εr increases, highlighting a tunable parameter for controlling photon interactions in hybrid microwave systems. This discovery opens new avenues for developing and optimizing tunable systems, which are crucial for progress in quantum technologies.
{"title":"Dielectric-tuned photon-photon coupling in a planar hybrid system","authors":"Rakesh Kumar Nayak, Meghana Mishra, Kuldeep Kumar Shrivastava, Biswanath Bhoi, Rajeev Singh","doi":"10.1016/j.chphi.2025.100890","DOIUrl":"10.1016/j.chphi.2025.100890","url":null,"abstract":"<div><div>This study presents photon-photon coupling (PPC) in a microwave hybrid system consisting of a Split Ring Resonator (SRR) and a Complementary Split Ring Resonator (CSRR), both acting as photon modes. Numerical simulations using CST Microwave Studio were performed to design the system and analyze the anticrossing phenomenon between the photon modes (SRR and CSRR) by examining the |<span><math><msub><mi>S</mi><mn>21</mn></msub></math></span>| versus frequency spectra while varying the size of the CSRR. Additionally, we provide a theoretical framework to explain the observed anticrossing phenomenon due to photon-photon interaction, which shows strong agreement with the simulation. Furthermore, we explore the influence of the substrate's dielectric constant (ε<sub>r</sub>) on the PPC by estimating the coupling constant for different ε<sub>r</sub> values. The results indicate that the coupling strength decreases as ε<sub>r</sub> increases, highlighting a tunable parameter for controlling photon interactions in hybrid microwave systems. This discovery opens new avenues for developing and optimizing tunable systems, which are crucial for progress in quantum technologies.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100890"},"PeriodicalIF":3.8,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144271933","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 : 2025-06-01DOI: 10.1016/j.chphi.2025.100891
Beenaben S S , Radha Sankararajan , Srinivasan Manickam , KlintonBrito K , Prasath M
The MnNiSi half-Heusler alloy was synthesized via solid-state synthesis for thermoelectric and spintronic applications and extensively characterized using various techniques. X-ray diffraction (XRD) confirmed the alloy's cubic crystal structure with three interpenetrating face-centered cubic sublattices and a lattice parameter of 5.1592 Å. Field emission scanning electron microscopy (FE-SEM) revealed a polycrystalline nature with grains of varying shapes and sizes, while energy-dispersive X-ray spectroscopy (EDX) verified compositional homogeneity. Optical characterization using UV–Vis spectroscopy identified a broad absorption peak at 278 nm, and the optical bandgap energy (Eg) was calculated as 0.57 eV from the Tauc plot, indicating semiconducting behaviour. Fourier-transform infrared (FTIR) spectroscopy highlighted vibrational modes associated with organic and inorganic components. Mechanical analysis demonstrated stability with Debye and melting temperatures of 505 K and 1244 K, respectively. The magnetic characteristics of the MnNiSi half-Heusler demonstrate the material's Ferromagnetic (FM) behaviour. The thermoelectric evaluation showed a Seebeck coefficient of 118 µV/K, electrical conductivity of 1.08 × 103 Ω-1m-1, a thermal conductivity of 2.18 W/mK, and a power factor of 15.27 × 10–3W/mK2. These properties yielded a dimensionless figure of merit (ZT) of 1.52, highlighting MnNiSi as a promising candidate for thermoelectric energy conversion applications.
{"title":"MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications","authors":"Beenaben S S , Radha Sankararajan , Srinivasan Manickam , KlintonBrito K , Prasath M","doi":"10.1016/j.chphi.2025.100891","DOIUrl":"10.1016/j.chphi.2025.100891","url":null,"abstract":"<div><div>The MnNiSi half-Heusler alloy was synthesized via solid-state synthesis for thermoelectric and spintronic applications and extensively characterized using various techniques. X-ray diffraction (XRD) confirmed the alloy's cubic crystal structure with three interpenetrating face-centered cubic sublattices and a lattice parameter of 5.1592 Å. Field emission scanning electron microscopy (FE-SEM) revealed a polycrystalline nature with grains of varying shapes and sizes, while energy-dispersive X-ray spectroscopy (EDX) verified compositional homogeneity. Optical characterization using UV–Vis spectroscopy identified a broad absorption peak at 278 nm, and the optical bandgap energy (E<sub>g</sub>) was calculated as 0.57 eV from the Tauc plot, indicating semiconducting behaviour. Fourier-transform infrared (FTIR) spectroscopy highlighted vibrational modes associated with organic and inorganic components. Mechanical analysis demonstrated stability with Debye and melting temperatures of 505 K and 1244 K, respectively. The magnetic characteristics of the MnNiSi half-Heusler demonstrate the material's Ferromagnetic (FM) behaviour. The thermoelectric evaluation showed a Seebeck coefficient of 118 µV/K, electrical conductivity of 1.08 × 10<sup>3</sup> Ω<sup>-1</sup>m<sup>-1</sup>, a thermal conductivity of 2.18 W/mK, and a power factor of 15.27 × 10<sup>–3</sup>W/mK<sup>2</sup>. These properties yielded a dimensionless figure of merit (ZT) of 1.52, highlighting MnNiSi as a promising candidate for thermoelectric energy conversion applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100891"},"PeriodicalIF":3.8,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144205389","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 : 2025-06-01DOI: 10.1016/j.chphi.2025.100892
Adewale Adewuyi , Rotimi A Oderinde
Adsorption and photocatalysis are known methods for removing dyes from aqueous systems. However, they may suffer from shortcomings like poor dye removal, high cost, poor adsorbent/catalyst regeneration and poor adsorbent/catalyst recovery. Therefore, a zeolitic imidazolate framework enhanced potassium ferrite (KFe2O4@monoZIF-8) was prepared to remove astrazon pink FG (AP) and brilliant Red B (BR) dyes from the water system. The characterization results of KFe2O4@monoZIF-8 revealed a well-structured diffraction pattern with a crystallite size of 31.24 nm and an energy bandgap of 1.87 eV. The scanning electron micrograph image revealed a homogeneous surface with similarly shaped particles of different sizes. At the same time, the energy-dispersive X-ray spectroscopy and elemental mapping confirmed the component elements to be K, Fe, O, C and Zn. Interestingly, KFe2O4@monoZIF-8 functions as an adsorbent and a photocatalyst. The adsorption of AP and BR by KFe2O4@monoZIF-8 in the absence of visible light revealed an equilibrium sorption capacity of 17.85±0.8 and 15.00±0.8 mg g-1, respectively, in a process described by pseudo-2nd-order kinetic model. Furthermore, when subjected to photocatalytic degradation under visible light irradiation, the removal efficiencies towards AP and BR became 98.80±1.20 and 95.2 ± 1.30 %, respectively. KFe2O4@monoZIF-8 in a binary mixed solution of AP and BR exhibited a photodegradation efficiency of 78.00±1.10 and 70.00±1.10 % towards AP and BR, respectively. In addition, KFe2O4@monoZIF-8 exhibited a regeneration capacity above 70 % at the 7th regeneration treatment cycle. KFe2O4@monoZIF-8 compared favourably with previously published materials for removing dyes in an aqueous solution. This study revealed KFe2O4@monoZIF-8 as a promising material for removing dyes from the water system.
{"title":"Purification of astrazon pink FG and brilliant Red B contaminated water using zeolitic imidazolate framework enhanced potassium ferrite","authors":"Adewale Adewuyi , Rotimi A Oderinde","doi":"10.1016/j.chphi.2025.100892","DOIUrl":"10.1016/j.chphi.2025.100892","url":null,"abstract":"<div><div>Adsorption and photocatalysis are known methods for removing dyes from aqueous systems. However, they may suffer from shortcomings like poor dye removal, high cost, poor adsorbent/catalyst regeneration and poor adsorbent/catalyst recovery. Therefore, a zeolitic imidazolate framework enhanced potassium ferrite (KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8) was prepared to remove astrazon pink FG (AP) and brilliant Red B (BR) dyes from the water system. The characterization results of KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 revealed a well-structured diffraction pattern with a crystallite size of 31.24 nm and an energy bandgap of 1.87 eV. The scanning electron micrograph image revealed a homogeneous surface with similarly shaped particles of different sizes. At the same time, the energy-dispersive X-ray spectroscopy and elemental mapping confirmed the component elements to be K, Fe, O, C and Zn. Interestingly, KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 functions as an adsorbent and a photocatalyst. The adsorption of AP and BR by KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 in the absence of visible light revealed an equilibrium sorption capacity of 17.85±0.8 and 15.00±0.8 mg g<sup>-1</sup>, respectively, in a process described by pseudo-2nd-order kinetic model. Furthermore, when subjected to photocatalytic degradation under visible light irradiation, the removal efficiencies towards AP and BR became 98.80±1.20 and 95.2 ± 1.30 %, respectively. KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 in a binary mixed solution of AP and BR exhibited a photodegradation efficiency of 78.00±1.10 and 70.00±1.10 % towards AP and BR, respectively. In addition, KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 exhibited a regeneration capacity above 70 % at the 7th regeneration treatment cycle. KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 compared favourably with previously published materials for removing dyes in an aqueous solution. This study revealed KFe<sub>2</sub>O<sub>4</sub>@<sub>mono</sub>ZIF-8 as a promising material for removing dyes from the water system.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100892"},"PeriodicalIF":3.8,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254508","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 : 2025-05-18DOI: 10.1016/j.chphi.2025.100889
Md. Jahidul Islam, Saiful Islam
Lead halide hybrid perovskites represent a group of compounds exhibiting remarkable potential for applications in solar cells, optoelectronics, and LEDs. Understanding their photophysical properties through scientific techniques is crucial for optimizing their performance in these various fields. In this research our core technique is laser trapping, which utilizes a continuouswave (CW) laser at 800 nm with a power of 0.6 W to manipulate precursor solutions. This focused laser beam allows for trapping-induced crystallization, enabling the formation of high-quality perovskite crystals directly within the measurement setup. Steady-state photoluminescence (PL) measurements are then performed using two-photon excitation at 400 nm using the CW mode of trapping laser. Additionally, photoluminescence lifetime measurements are conducted using the same laser in pulsed mode with picosecond excitation. By analyzing the PL decay over 6 nanoseconds, researchers can gain insights into the excited state dynamics of the perovskite. This work demonstrates the effectiveness of a one-stop approach for perovskite characterization. Laser trapping facilitates controlled crystal growth, while combined steady state PL and PL lifetime measurements provide a comprehensive picture of the material's light-matter interaction. This approach paves the way for efficient and in-depth analysis of novel perovskite materials for next-generation technologies.
{"title":"One-stop service for perovskite synthesis and characterization by laser trapping","authors":"Md. Jahidul Islam, Saiful Islam","doi":"10.1016/j.chphi.2025.100889","DOIUrl":"10.1016/j.chphi.2025.100889","url":null,"abstract":"<div><div>Lead halide hybrid perovskites represent a group of compounds exhibiting remarkable potential for applications in solar cells, optoelectronics, and LEDs. Understanding their photophysical properties through scientific techniques is crucial for optimizing their performance in these various fields. In this research our core technique is laser trapping<strong>,</strong> which utilizes a continuouswave (CW) laser at 800 nm with a power of 0.6 W to manipulate precursor solutions. This focused laser beam allows for trapping-induced crystallization<strong>,</strong> enabling the formation of high-quality perovskite crystals directly within the measurement setup. Steady-state photoluminescence (PL) measurements are then performed using two-photon excitation at 400 nm using the CW mode of trapping laser. Additionally, photoluminescence lifetime measurements are conducted using the same laser in pulsed mode with picosecond excitation. By analyzing the PL decay over 6 nanoseconds, researchers can gain insights into the excited state dynamics of the perovskite. This work demonstrates the effectiveness of a one-stop approach for perovskite characterization. Laser trapping facilitates controlled crystal growth, while combined steady state PL and PL lifetime measurements provide a comprehensive picture of the material's light-matter interaction. This approach paves the way for efficient and in-depth analysis of novel perovskite materials for next-generation technologies.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100889"},"PeriodicalIF":3.8,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135107","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 oxide (NiO) has garnered significant attention as a high-performance electrode material for energy storage devices due to its excellent electrochemical activity and high theoretical capacity. In this study, well crystalline cubic structure NiO with diverse morphologies-three-dimensional spherical (NiO-3D-S), two-dimensional sheet-like structure (NiO-2D), and three-dimensional asymmetric structure (NiO-3D-A) were synthesized via a simple hydrothermal method. The surface morphology was effectively tailored using polyvinylpyrrolidone (PVP) in combination with various surfactants, including ethylene glycol (EG), cetyltrimethylammonium bromide (CTAB), and glycerol. Among the synthesized structures, the 2D sheet-like porous NiO (NiO-2D) exhibited superior electrochemical performance, achieving a high specific capacitance of 853.17 F g⁻¹ at a current density of 1 mA g⁻¹. It also demonstrated excellent cycling stability, retaining approximately 92 % of its initial capacitance after 3000 charge–discharge cycles. This enhanced performance is attributed to its unique porous architecture composed of ultra-fine grains self-assembled into uniform 2D sheets, which facilitate rapid ion diffusion and efficient charge transport. To evaluate practical applicability, an asymmetric two-electrode device was fabricated using NiO-2D as the positive electrode. The device delivered an energy density of 3.2 Wh kg⁻¹ and a power density of 360 W kg⁻¹, and successfully powered a red light-emitting diode (LED), demonstrating its potential for real-world applications. These findings underscore the promise of 2D sheet-like porous NiO as an advanced electrode material for high-performance and durable electrochemical energy storage systems.
氧化镍（NiO）由于其优异的电化学活性和较高的理论容量，作为一种高性能的储能电极材料受到了广泛的关注。本研究通过简单的水热法合成了具有多种形态的井晶立方结构NiO-三维球形结构（NiO- 3d - s）、二维片状结构（NiO- 2d）和三维非对称结构（NiO- 3d - a）。使用聚乙烯吡咯烷酮（PVP）和各种表面活性剂，包括乙二醇（EG）、十六烷基三甲基溴化铵（CTAB）和甘油，有效地调整了表面形态。在合成的结构中，二维片状多孔NiO （NiO-2D）表现出优异的电化学性能，在电流密度为1 mA g⁻¹时达到853.17 F g⁻¹的高比电容。它还表现出优异的循环稳定性，在3000次充放电循环后保持约92%的初始电容。这种增强的性能归功于其独特的多孔结构，由超细颗粒自组装成均匀的二维薄片，促进了离子的快速扩散和有效的电荷传输。为了评估其实用性，以NiO-2D为正极制备了非对称双电极器件。该装置的能量密度为3.2 Wh kg⁻¹，功率密度为360 W kg⁻¹，并成功地为红色发光二极管（LED）供电，证明了其在现实世界中的应用潜力。这些发现强调了二维片状多孔NiO作为高性能和耐用电化学储能系统的先进电极材料的前景。
{"title":"Morphology-controlled nickel oxide nanostructures: unlocking high-performance supercapacitor applications","authors":"Govindhasamy Murugadoss , Narthana Kandhasamy , Irina V. Zaporotskova , Nachimuthu Venkatesh , Sunitha Salla , Sakthivel Pandurengan","doi":"10.1016/j.chphi.2025.100888","DOIUrl":"10.1016/j.chphi.2025.100888","url":null,"abstract":"<div><div>Nickel oxide (NiO) has garnered significant attention as a high-performance electrode material for energy storage devices due to its excellent electrochemical activity and high theoretical capacity. In this study, well crystalline cubic structure NiO with diverse morphologies-three-dimensional spherical (NiO-3D-S), two-dimensional sheet-like structure (NiO-2D), and three-dimensional asymmetric structure (NiO-3D-A) were synthesized via a simple hydrothermal method. The surface morphology was effectively tailored using polyvinylpyrrolidone (PVP) in combination with various surfactants, including ethylene glycol (EG), cetyltrimethylammonium bromide (CTAB), and glycerol. Among the synthesized structures, the 2D sheet-like porous NiO (NiO-2D) exhibited superior electrochemical performance, achieving a high specific capacitance of 853.17 F g⁻¹ at a current density of 1 mA g⁻¹. It also demonstrated excellent cycling stability, retaining approximately 92 % of its initial capacitance after 3000 charge–discharge cycles. This enhanced performance is attributed to its unique porous architecture composed of ultra-fine grains self-assembled into uniform 2D sheets, which facilitate rapid ion diffusion and efficient charge transport. To evaluate practical applicability, an asymmetric two-electrode device was fabricated using NiO-2D as the positive electrode. The device delivered an energy density of 3.2 Wh kg⁻¹ and a power density of 360 W kg⁻¹, and successfully powered a red light-emitting diode (LED), demonstrating its potential for real-world applications. These findings underscore the promise of 2D sheet-like porous NiO as an advanced electrode material for high-performance and durable electrochemical energy storage systems.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100888"},"PeriodicalIF":3.8,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144115888","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}
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