This study focused on synthesizing a novel cathode material by doping bimetallic Fe and Zn-oxide nanoparticles in 1:1 M ratio onto the surface of a PbO2/Pb electrode through a hydrothermal process. The synthesized PbO2/Pb-based electrodes were comprehensively characterised using several techniques. The Electro Fenton (EF) process was optimized for treating wastewater containing methylene blue (MB), with a bimetal oxide (Fe–Zn–PbO2/Pb) electrode as the cathode. Optimization of process parameters was conducted using the Box Behnken model using Design of Expert tool, resulting in remarkable MB removal and Chemical Oxygen Demand (COD) change of 94 % (±0.5 %) and 78 % (±0.6 %), respectively, under optimized conditions (150 mg/L initial concentration, 180 min treatment time, and 60 mA/cm2 current density). Results confirmed that the EF process through oxygen the reduction potential for different electrode and found that H2O2 production approximately two-fold higher than the PbO2. Liquid Chromatography-Mass Spectrometry analysis elucidated the degradation mechanism of MB. The Fe–Zn–PbO2/Pb cathode exhibited superior performance, with a peak mineralization current efficiency of 67 % and energy consumption of 2.5 kWh/g-TOC. Moreover, it significantly reduced both the percentage of COD (93.7 %) and Total Organic Carbon (85 %) change in real dye industry wastewater, highlighting its potential for addressing complex industrial wastewater treatment.
{"title":"Optimization and modeling of bimetallic oxide (Fe–Zn) nanoparticles on a PbO2/Pb electrode for the electro-fenton process in industrial wastewater treatment","authors":"Shambhoo Sharan , Prateek Khare , Ravi Shankar , Navneet Kumar Mishra , Ankit Tyagi , Akshay Modi , Shiv Singh","doi":"10.1016/j.matchemphys.2025.130667","DOIUrl":"10.1016/j.matchemphys.2025.130667","url":null,"abstract":"<div><div>This study focused on synthesizing a novel cathode material by doping bimetallic Fe and Zn-oxide nanoparticles in 1:1 M ratio onto the surface of a PbO<sub>2</sub>/Pb electrode through a hydrothermal process. The synthesized PbO<sub>2</sub>/Pb-based electrodes were comprehensively characterised using several techniques. The Electro Fenton (EF) process was optimized for treating wastewater containing methylene blue (MB), with a bimetal oxide (Fe–Zn–PbO<sub>2</sub>/Pb) electrode as the cathode. Optimization of process parameters was conducted using the Box Behnken model using Design of Expert tool, resulting in remarkable MB removal and Chemical Oxygen Demand (COD) change of 94 % (±0.5 %) and 78 % (±0.6 %), respectively, under optimized conditions (150 mg/L initial concentration, 180 min treatment time, and 60 mA/cm<sup>2</sup> current density). Results confirmed that the EF process through oxygen the reduction potential for different electrode and found that H<sub>2</sub>O<sub>2</sub> production approximately two-fold higher than the PbO<sub>2</sub>. Liquid Chromatography-Mass Spectrometry analysis elucidated the degradation mechanism of MB. The Fe–Zn–PbO<sub>2</sub>/Pb cathode exhibited superior performance, with a peak mineralization current efficiency of 67 % and energy consumption of 2.5 kWh/g-TOC. Moreover, it significantly reduced both the percentage of COD (93.7 %) and Total Organic Carbon (85 %) change in real dye industry wastewater, highlighting its potential for addressing complex industrial wastewater treatment.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130667"},"PeriodicalIF":4.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-03DOI: 10.1016/j.matchemphys.2025.130666
N. Benaissa , T. Garmim , Z. El Jouad , A. Louardi , A. Talbi , A. Rmili , A. El Bachiri , K. Nouneh , M. Monkade
This study focuses on the synthesis of CuO (Copper Oxide) thin films via the spray pyrolysis method, along with the optimization of parameters affecting the experimental process. Using the Taguchi design with an L9(33) orthogonal array, we systematically investigated the influence of three critical controllable parameters on the deposition process. These parameters included the cadmium doping percentage, the substrate temperature, and the precursor molar concentration. The Taguchi method was chosen for its efficiency in experimental design, allowing us to study the effects of multiple variables simultaneously with a reduced number of experiments. For each factor, three levels were predefined to represent distinct conditions, ensuring a comprehensive exploration of their individual and interactive impacts on the process. The signal-to-noise (S/N) ratio is used to minimize variation and identify the optimal parameter combination that ensures the desired optical band gap is achieved. The obtained deposited thin film under optimal conditions exhibit a uniform and pure CuO monoclinic structure. Raman spectroscopy unveiled distinct modes characteristic of affirming the composition of CuO. Additionally, the CuO film showed an optical bandgap value of 1.53 eV.
{"title":"Synthesis of Cadmium doped CuO thin films via spray pyrolysis and optimization of the optical band gap using Taguchi approach","authors":"N. Benaissa , T. Garmim , Z. El Jouad , A. Louardi , A. Talbi , A. Rmili , A. El Bachiri , K. Nouneh , M. Monkade","doi":"10.1016/j.matchemphys.2025.130666","DOIUrl":"10.1016/j.matchemphys.2025.130666","url":null,"abstract":"<div><div>This study focuses on the synthesis of CuO (Copper Oxide) thin films via the spray pyrolysis method, along with the optimization of parameters affecting the experimental process. Using the Taguchi design with an L<sub>9</sub>(3<sup>3</sup>) orthogonal array, we systematically investigated the influence of three critical controllable parameters on the deposition process. These parameters included the cadmium doping percentage, the substrate temperature, and the precursor molar concentration. The Taguchi method was chosen for its efficiency in experimental design, allowing us to study the effects of multiple variables simultaneously with a reduced number of experiments. For each factor, three levels were predefined to represent distinct conditions, ensuring a comprehensive exploration of their individual and interactive impacts on the process. The signal-to-noise (S/N) ratio is used to minimize variation and identify the optimal parameter combination that ensures the desired optical band gap is achieved. The obtained deposited thin film under optimal conditions exhibit a uniform and pure CuO monoclinic structure. Raman spectroscopy unveiled distinct modes characteristic of affirming the composition of CuO. Additionally, the CuO film showed an optical bandgap value of 1.53 eV.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130666"},"PeriodicalIF":4.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-02DOI: 10.1016/j.matchemphys.2025.130573
S. Appu , Udayabhanu , B.R. Anusha , H.N. Priyadarshini , Fahd Alharethy , Reddy G. Srinivas , Abhijna , G. Nagaraju , K. Prashantha
This study introduces a novel methodology for fabricating stable, high-performance TiO2 nanotubes incorporated with orthorhombic Ag2CrO4 heterojunctions, aimed at advancing multifunctional applications. Comprehensive characterization using techniques such as XRD, FTIR, UV-DRS, SEM, TEM, PL, and XPS reveals the structural, optical, and electrochemical properties of the material. The resulting composite exhibits a unique Type-1 heterojunction mechanism that enhances charge separation and transfer, improving its functionality across diverse applications. In photocatalysis, the material demonstrates extended light absorption, achieving complete degradation of organic pollutants within 180 min. Additionally, it exhibits remarkable electrochemical performance, particularly in nitrite sensing, with a detection limit of 1.04 μM. This work underscores the potential of TiO2 nanotubes with orthorhombic Ag2CrO4 heterojunctions as a sustainable and efficient solution for environmental remediation, low-level analyte detection, and biomedical applications.
{"title":"Type-1 heterojunction TiO2 Nanotubes/Ag2CrO4 nanoparticles: Advanced photocatalytic and electrochemical applications","authors":"S. Appu , Udayabhanu , B.R. Anusha , H.N. Priyadarshini , Fahd Alharethy , Reddy G. Srinivas , Abhijna , G. Nagaraju , K. Prashantha","doi":"10.1016/j.matchemphys.2025.130573","DOIUrl":"10.1016/j.matchemphys.2025.130573","url":null,"abstract":"<div><div>This study introduces a novel methodology for fabricating stable, high-performance TiO<sub>2</sub> nanotubes incorporated with orthorhombic Ag<sub>2</sub>CrO<sub>4</sub> heterojunctions, aimed at advancing multifunctional applications. Comprehensive characterization using techniques such as XRD, FTIR, UV-DRS, SEM, TEM, PL, and XPS reveals the structural, optical, and electrochemical properties of the material. The resulting composite exhibits a unique Type-1 heterojunction mechanism that enhances charge separation and transfer, improving its functionality across diverse applications. In photocatalysis, the material demonstrates extended light absorption, achieving complete degradation of organic pollutants within 180 min. Additionally, it exhibits remarkable electrochemical performance, particularly in nitrite sensing, with a detection limit of 1.04 μM. This work underscores the potential of TiO<sub>2</sub> nanotubes with orthorhombic Ag<sub>2</sub>CrO<sub>4</sub> heterojunctions as a sustainable and efficient solution for environmental remediation, low-level analyte detection, and biomedical applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130573"},"PeriodicalIF":4.3,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529631","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-02DOI: 10.1016/j.matchemphys.2025.130626
Nikta Sadat Moalej, Amir Saadati, Saeed Sheibani, Mohammad Mokmeli
Recycling electronic wastes containing precious metals and turning them into valuable products has economic and environmental value. In this paper, recycling spent nickel-cadmium (Ni–Cd) batteries in producing a ternary NiO/CdO/Co3O4 nanocomposite (BAT) was introduced as a novel, cost-effective, and environmentally friendly procedure. For this purpose, Ni, Cd, and Co elements were recovered, with leaching recoveries of 91, 99, and 99.5 %, respectively, using sulfuric acid. The leach liquor was used as the starting feed material in a sol-gel process. For a comparison matter, the same ternary nanocomposite was synthesized through a conventional co-precipitation method using nitrate precursors as a reference sample (REF). The calculated band gap energy of the BAT and REF was 2.05 and 2.40 eV. The optical properties improvement of the BAT sample, along with the proper contact interface, led to a rate constant of 0.0062 1/min in photocatalytic methylene blue (MB) degradation and 988.2 μmol/g.h in photocatalytic hydrogen evolution (PHE). A 2.5 times reduction in the charge transfer resistance from 2110 Ω in the REF sample to 849 Ω in the BAT was also observed. A combination of Z-scheme and type I charge transfer was proposed to justify the higher photocatalytic performance of the BAT sample. This work has introduced a novel approach for recycling spent Ni–Cd batteries by directly employing the leach liquor to synthesize NiO/CdO/Co3O4 photocatalyst.
{"title":"NiO/CdO/Co3O4 nanocomposite as an efficient visible-light photocatalyst for photodegradation and water splitting synthesized by recycling spent Ni–Cd batteries","authors":"Nikta Sadat Moalej, Amir Saadati, Saeed Sheibani, Mohammad Mokmeli","doi":"10.1016/j.matchemphys.2025.130626","DOIUrl":"10.1016/j.matchemphys.2025.130626","url":null,"abstract":"<div><div>Recycling electronic wastes containing precious metals and turning them into valuable products has economic and environmental value. In this paper, recycling spent nickel-cadmium (Ni–Cd) batteries in producing a ternary NiO/CdO/Co<sub>3</sub>O<sub>4</sub> nanocomposite (BAT) was introduced as a novel, cost-effective, and environmentally friendly procedure. For this purpose, Ni, Cd, and Co elements were recovered, with leaching recoveries of 91, 99, and 99.5 %, respectively, using sulfuric acid. The leach liquor was used as the starting feed material in a sol-gel process. For a comparison matter, the same ternary nanocomposite was synthesized through a conventional co-precipitation method using nitrate precursors as a reference sample (REF). The calculated band gap energy of the BAT and REF was 2.05 and 2.40 eV. The optical properties improvement of the BAT sample, along with the proper contact interface, led to a rate constant of 0.0062 1/min in photocatalytic methylene blue (MB) degradation and 988.2 μmol/g.h in photocatalytic hydrogen evolution (PHE). A 2.5 times reduction in the charge transfer resistance from 2110 Ω in the REF sample to 849 Ω in the BAT was also observed. A combination of Z-scheme and type I charge transfer was proposed to justify the higher photocatalytic performance of the BAT sample. This work has introduced a novel approach for recycling spent Ni–Cd batteries by directly employing the leach liquor to synthesize NiO/CdO/Co<sub>3</sub>O<sub>4</sub> photocatalyst.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130626"},"PeriodicalIF":4.3,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01DOI: 10.1016/j.matchemphys.2025.130574
Thaís Karine de Lima Rezende , Jordy Angelo Carneiro , Helliomar Pereira Barbosa , Júlio Antônio Nieri de Toledo Soares , Changqiang Chen , Guilherme de Lima Fernandes , Nilmar Silva Camilo , Jorge Elias Mabjaia , Acácio Aparecido Andrade , Mauro Roberto Sardela Junior , Jefferson Luis Ferrari
This work presents the synthesis, structural and spectroscopic characterization, and luminescence (upconversion and downshifting) properties of SiO2-Gd2O3 materials doped with different proportions of Er3+, Yb3+, and Eu3+. The materials were synthesized via the sol-gel method and heat-treated for 8 h at 900 °C. XRD showed intense peaks corresponding to crystalline cubic Gd2O3 (space group Ia3), confirmed by FTIR and Raman results, with no additional peaks, indicating successful doping. Rietveld refinement revealed a microstrain of 0.221–0.524 %, and crystallite sizes between 55.38 and 163.37 nm, confirmed by TEM images. TEM revealed crystalline Gd2O3 nanoparticles (NPs) dispersed in amorphous silica. UV–Vis spectra showed, absorption bands for both the matrix and dopants, including the O2−(2p) → Eu3+(4f6) charge transfer band, suggesting energy transfer. Using the Kubelka-Munk equation, the band gap was calculated to be between 4.98 and 5.18 eV. The emission spectra show the intraconfigurational 4f-4f bands of the Eu3+ ion between 469 and 710 nm arising from the 5D2 → 7F0, 5D0 → 7F0-5 transitions. Under 266 nm excitation, the Eu3+ 5D0→ 7F0 transition split, indicating two symmetry sites for Eu3+ ions (C2 and S6). Besides, the emission bands related to the Er3+ ion are also observed at 502, 512, 537, and 653 nm, associated with the transitions 4F7/2 → 4I15/2, 4H11/2 → 4I15/2, 4S3/2 → 4I15/2, e 4F9/2 → 4I15/2, respectively. Under 800 nm excitation, the materials presented the upconversion phenomena, with Yb3+ ions acting as sensitizers. Strong green emission from Er3+ (525–575 nm) was observed. These results suggest potential applications energy conversion as multicolor emitters in the photonic and biophotonic fields for instance for singlete oxygen generation for PDT.
{"title":"Structural and photoluminescent behavior of Rare Earths doped Gd2O3 nanoparticles embedded into SiO2 amorphous matrix obtained by sol-gel method for energy conversion","authors":"Thaís Karine de Lima Rezende , Jordy Angelo Carneiro , Helliomar Pereira Barbosa , Júlio Antônio Nieri de Toledo Soares , Changqiang Chen , Guilherme de Lima Fernandes , Nilmar Silva Camilo , Jorge Elias Mabjaia , Acácio Aparecido Andrade , Mauro Roberto Sardela Junior , Jefferson Luis Ferrari","doi":"10.1016/j.matchemphys.2025.130574","DOIUrl":"10.1016/j.matchemphys.2025.130574","url":null,"abstract":"<div><div>This work presents the synthesis, structural and spectroscopic characterization, and luminescence (upconversion and downshifting) properties of SiO<sub>2</sub>-Gd<sub>2</sub>O<sub>3</sub> materials doped with different proportions of Er<sup>3+</sup>, Yb<sup>3+</sup>, and Eu<sup>3+</sup>. The materials were synthesized via the sol-gel method and heat-treated for 8 h at 900 °C. XRD showed intense peaks corresponding to crystalline cubic Gd<sub>2</sub>O<sub>3</sub> (space group Ia<sub>3</sub>), confirmed by FTIR and Raman results, with no additional peaks, indicating successful doping. Rietveld refinement revealed a microstrain of 0.221–0.524 %, and crystallite sizes between 55.38 and 163.37 nm, confirmed by TEM images. TEM revealed crystalline Gd<sub>2</sub>O<sub>3</sub> nanoparticles (NPs) dispersed in amorphous silica. UV–Vis spectra showed, absorption bands for both the matrix and dopants, including the O<sup>2−</sup>(2p) → Eu<sup>3+</sup>(4f<sup>6</sup>) charge transfer band, suggesting energy transfer. Using the Kubelka-Munk equation, the band gap was calculated to be between 4.98 and 5.18 eV. The emission spectra show the intraconfigurational 4f-4f bands of the Eu<sup>3+</sup> ion between 469 and 710 nm arising from the <sup>5</sup>D<sub>2</sub> → <sup>7</sup>F<sub>0</sub>, <sup>5</sup>D<sub>0</sub> → <sup>7</sup>F<sub>0-5</sub> transitions. Under 266 nm excitation, the Eu<sup>3+ 5</sup>D<sub>0</sub> <sup>→ 7</sup>F<sub>0</sub> transition split, indicating two symmetry sites for Eu<sup>3+</sup> ions (C<sub>2</sub> and S<sub>6</sub>). Besides, the emission bands related to the Er<sup>3+</sup> ion are also observed at 502, 512, 537, and 653 nm, associated with the transitions <sup>4</sup>F<sub>7/2</sub> → <sup>4</sup>I<sub>15/2</sub>, <sup>4</sup>H<sub>11/2</sub> → <sup>4</sup>I<sub>15/2</sub>, <sup>4</sup>S<sub>3/2</sub> → <sup>4</sup>I<sub>15/2</sub>, e <sup>4</sup>F<sub>9/2</sub> → <sup>4</sup>I<sub>15/2</sub>, respectively. Under 800 nm excitation, the materials presented the upconversion phenomena, with Yb<sup>3+</sup> ions acting as sensitizers. Strong green emission from Er<sup>3+</sup> (525–575 nm) was observed. These results suggest potential applications energy conversion as multicolor emitters in the photonic and biophotonic fields for instance for singlete oxygen generation for PDT.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130574"},"PeriodicalIF":4.3,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The rapid expansion of the energy storage market fuels a rising demand for lead-acid batteries, resulting in significant amounts of hazardous lead-containing scrap. To address the environmental concerns of lead-acid batteries, this work proposes a greener, cost-effective, and short-loop route for recycling. Additionally, annealed MXene is incorporated to enhance the electrochemical performance of the recycled active materials. X-ray diffraction (XRD) analysis verifies the phase purity and crystallinity of the material, while field emission-scanning electron microscopy (FESEM) and Energy-dispersive X-ray spectroscopy (EDX) confirms uniform MXene dispersion within the matrix. Electrochemical evaluations, comprising cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) tests, are performed in 1.0 M H2SO4 electrolytes, revealing substantial improvements in electrochemical performance. Notably, the RM3 (recycled material with 3 wt % annealed MXene) electrode exhibits a gravimetric capacitance of 118 Fg-1 at 0.25 Ag-1 and 95 Fg-1 at 10 Ag-1. RM3 demonstrates excellent energy and power densities of 9 Wh kg−1 and 450 W kg−1 at a current density of 1 Ag-1. This approach mitigates environmental risk while improving lead-acid battery performance, supporting a sustainable, circular battery economy.
{"title":"MXene reinforced recycled lead acid battery materials: Enhancing electrochemical performance","authors":"Saurav Keshri, Niranjan Pandit, Rohit Sinha, Pushpender Singh, Rahul Kumar, Chandan Kumar Nayak, Anup Kumar Keshri","doi":"10.1016/j.matchemphys.2025.130643","DOIUrl":"10.1016/j.matchemphys.2025.130643","url":null,"abstract":"<div><div>The rapid expansion of the energy storage market fuels a rising demand for lead-acid batteries, resulting in significant amounts of hazardous lead-containing scrap. To address the environmental concerns of lead-acid batteries, this work proposes a greener, cost-effective, and short-loop route for recycling. Additionally, annealed MXene is incorporated to enhance the electrochemical performance of the recycled active materials. X-ray diffraction (XRD) analysis verifies the phase purity and crystallinity of the material, while field emission-scanning electron microscopy (FESEM) and Energy-dispersive X-ray spectroscopy (EDX) confirms uniform MXene dispersion within the matrix. Electrochemical evaluations, comprising cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) tests, are performed in 1.0 M H<sub>2</sub>SO<sub>4</sub> electrolytes, revealing substantial improvements in electrochemical performance. Notably, the RM3 (recycled material with 3 wt % annealed MXene) electrode exhibits a gravimetric capacitance of 118 Fg<sup>-1</sup> at 0.25 Ag<sup>-1</sup> and 95 Fg<sup>-1</sup> at 10 Ag<sup>-1</sup>. RM3 demonstrates excellent energy and power densities of 9 Wh kg<sup>−1</sup> and 450 W kg<sup>−1</sup> at a current density of 1 Ag<sup>-1</sup>. This approach mitigates environmental risk while improving lead-acid battery performance, supporting a sustainable, circular battery economy.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130643"},"PeriodicalIF":4.3,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-28DOI: 10.1016/j.matchemphys.2025.130572
E. Zayim , A.T. Mohseni , A. Galeckas , S. Sartori , U. Ernazarov , S. Zh Karazhanov
In this paper we have synthesized tungsten oxide-based organic/inorganic hybrid materials composed of tungsten hexachloride (WCl6) and polyvinylpyrrolidone (PVP) micro- and nanosized fibers. The films are deposited on substrates such as paper, glass, metal, and fabric using techniques including electrospinning, spin coating, fiber drawing, casting, and inkjet printing methods. The films exhibit photochromic properties at room temperature. Distinct from pure WO3-based coatings, photochromism of the hybrid films is reversible at ambient conditions without heating or applying an electric field. Photochromic performance of the hybrid films has been studied. From optical properties studies we demonstrate about UV illumination-induced band gap engineering. Mechanism of the photochromic effect in the hybrid films is suggested to be related to defects. We suggest also that illumination with the UV light undergoes by structural point defect formation.
{"title":"Fabrication of tungsten oxide-based hybrid photochromic blends by scalable method","authors":"E. Zayim , A.T. Mohseni , A. Galeckas , S. Sartori , U. Ernazarov , S. Zh Karazhanov","doi":"10.1016/j.matchemphys.2025.130572","DOIUrl":"10.1016/j.matchemphys.2025.130572","url":null,"abstract":"<div><div>In this paper we have synthesized tungsten oxide-based organic/inorganic hybrid materials composed of tungsten hexachloride (WCl<sub>6</sub>) and polyvinylpyrrolidone (PVP) micro- and nanosized fibers. The films are deposited on substrates such as paper, glass, metal, and fabric using techniques including electrospinning, spin coating, fiber drawing, casting, and inkjet printing methods. The films exhibit photochromic properties at room temperature. Distinct from pure WO<sub>3</sub>-based coatings, photochromism of the hybrid films is reversible at ambient conditions without heating or applying an electric field. Photochromic performance of the hybrid films has been studied. From optical properties studies we demonstrate about UV illumination-induced band gap engineering. Mechanism of the photochromic effect in the hybrid films is suggested to be related to defects. We suggest also that illumination with the UV light undergoes by structural point defect formation.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130572"},"PeriodicalIF":4.3,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-27DOI: 10.1016/j.matchemphys.2025.130616
Qingqing Wang , Xianggang Kong , You Yu , Tianyuan Xin , Lu Wu
The oxidation behavior of NbTiZr multicomponent alloy has been investigated through modeling and simulations. The adsorption of oxygen atoms on metal surfaces is a pivotal factor in the processes of oxidation and corrosion. The results of oxygen adsorption energy calculations indicate that oxygen atoms are most stably adsorbed at sites adjacent to a higher number of Ti atoms on NbTiZr surface. This stability primarily stems from the strong interaction between Ti-t2g orbitals and oxygen atoms, which is consistent with the experimental observation of a predominantly TiO2 external oxide layer in NbTi-based alloys. The sequential adsorption of O atoms with different surface coverage rate on NbTiZr surface has also been studied. The calculations reveal that the average adsorption energy per oxygen atom increases with increasing oxygen coverage. And the order of adsorption ability is as follows: Ti > Zr > Nb. Additionally, it is observed that Ti can segregate on the surface, which can enhance both the adsorption and diffusion of oxygen atoms. What's more, based on the calculation results from Pilling Bedworth Ratio (PBR), it is inferred that the spallation observed on the surface of NbTiZr is due to the formation of Nb12O29 and Nb2O5, as confirmed experimentally. When the ratio of Ti to O is high, such as in the case of Ti segregation on the surface, the resulting oxide layer is loose and not compact. Additionally, work function measurements indicate that an oxidized surface with segregated elements is less stable than one without such segregation. Consequently, to enhance the oxidation resistance of NbTiZr, it is essential to avoid Ti segregation on the surface through various experimental processing methods.
{"title":"Simulations of oxidation behavior of the NbTiZr multicomponent alloy","authors":"Qingqing Wang , Xianggang Kong , You Yu , Tianyuan Xin , Lu Wu","doi":"10.1016/j.matchemphys.2025.130616","DOIUrl":"10.1016/j.matchemphys.2025.130616","url":null,"abstract":"<div><div>The oxidation behavior of NbTiZr multicomponent alloy has been investigated through modeling and simulations. The adsorption of oxygen atoms on metal surfaces is a pivotal factor in the processes of oxidation and corrosion. The results of oxygen adsorption energy calculations indicate that oxygen atoms are most stably adsorbed at sites adjacent to a higher number of Ti atoms on NbTiZr surface. This stability primarily stems from the strong interaction between Ti-<em>t</em><sub><em>2g</em></sub> orbitals and oxygen atoms, which is consistent with the experimental observation of a predominantly TiO<sub>2</sub> external oxide layer in NbTi-based alloys. The sequential adsorption of O atoms with different surface coverage rate on NbTiZr surface has also been studied. The calculations reveal that the average adsorption energy per oxygen atom increases with increasing oxygen coverage. And the order of adsorption ability is as follows: Ti > Zr > Nb. Additionally, it is observed that Ti can segregate on the surface, which can enhance both the adsorption and diffusion of oxygen atoms. What's more, based on the calculation results from Pilling Bedworth Ratio (PBR), it is inferred that the spallation observed on the surface of NbTiZr is due to the formation of Nb<sub>12</sub>O<sub>29</sub> and Nb<sub>2</sub>O<sub>5</sub>, as confirmed experimentally. When the ratio of Ti to O is high, such as in the case of Ti segregation on the surface, the resulting oxide layer is loose and not compact. Additionally, work function measurements indicate that an oxidized surface with segregated elements is less stable than one without such segregation. Consequently, to enhance the oxidation resistance of NbTiZr, it is essential to avoid Ti segregation on the surface through various experimental processing methods.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130616"},"PeriodicalIF":4.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529632","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-27DOI: 10.1016/j.matchemphys.2025.130625
Faiz Imran , Azmat Hussain , Ibrahim Aladhyani , Fawad Ali , Shahbaz Afzal , Raphael M. Obodo
The characteristics of large surface area, high chemical firmness and virtuous electrical conductivity make MXene-based electrodes an emerging potential material for supercapacitor electrode applications. The qualities of invented electrodes were examined using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), UV–visible spectroscopy, and electrochemical analysis. The estimated specific capacitance of 1370 F g-1 from cyclic voltammetry (CV) at a scan rate of 1.0 mVs−1 and 1520 F g-1 from galvanostatic charge-discharge (GCD) at 0.5 Ag-1 current density, respectively, were obtained from the CeO2@MnO2/MXene electrode. The study's findings suggest that the addition of MXene caused the manufactured electrodes' electrochemical properties to improve. The electrodes CeO2/MXene, MnO2/MXene, and CeO2@MnO2/MXene have proven to be quite effective, which makes them a good option for supercapacitor electrode application. The CeO2@MnO2/MXene electrode was found to exhibit remarkable cyclic stability at 0.5 Ag-1 current density, maintaining 73.5 % of its initial measurements after 10,000 full cycles.
{"title":"Improving the bimetallic interactions of CeO2@MnO2/MXenes for supercapacitor electrode applications","authors":"Faiz Imran , Azmat Hussain , Ibrahim Aladhyani , Fawad Ali , Shahbaz Afzal , Raphael M. Obodo","doi":"10.1016/j.matchemphys.2025.130625","DOIUrl":"10.1016/j.matchemphys.2025.130625","url":null,"abstract":"<div><div>The characteristics of large surface area, high chemical firmness and virtuous electrical conductivity make MXene-based electrodes an emerging potential material for supercapacitor electrode applications. The qualities of invented electrodes were examined using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), UV–visible spectroscopy, and electrochemical analysis. The estimated specific capacitance of 1370 F g<sup>-1</sup> from cyclic voltammetry (CV) at a scan rate of 1.0 mVs<sup>−1</sup> and 1520 F g<sup>-1</sup> from galvanostatic charge-discharge (GCD) at 0.5 Ag<sup>-1</sup> current density, respectively, were obtained from the CeO<sub>2</sub>@MnO<sub>2</sub>/MXene electrode. The study's findings suggest that the addition of MXene caused the manufactured electrodes' electrochemical properties to improve. The electrodes CeO<sub>2</sub>/MXene, MnO<sub>2</sub>/MXene, and CeO<sub>2</sub>@MnO<sub>2</sub>/MXene have proven to be quite effective, which makes them a good option for supercapacitor electrode application. The CeO<sub>2</sub>@MnO<sub>2</sub>/MXene electrode was found to exhibit remarkable cyclic stability at 0.5 Ag<sup>-1</sup> current density, maintaining 73.5 % of its initial measurements after 10,000 full cycles.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130625"},"PeriodicalIF":4.3,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-26DOI: 10.1016/j.matchemphys.2025.130622
Stanley Evander Emeltan Tjoa , Mudasir Mudasir , Edi Suharyadi , Budi Setiadi Daryono
Magnetic nanoparticle-based DNA extraction is a well-known method. In its application, TEOS is the most common component used as a coating agent. TEOS-modified magnetic nanoparticle (TMNP) was prepared using a ratio of 0.5 ml TEOS/g MNP. The resulting TMNP has a crystalline size of 19.8 nm and has ferromagnetic properties. Selection of the appropriate binding buffer with TMNP based on the response of DNA concentration, purity, and integrity was GuSCN at a concentration of 2.5 M and dissolved at pH 6.5. This combination of TMNP and binding buffer can extract DNA of various types of bacteria and produce DNA in the range of 2.55–12.45 μg and DNA purity at 260/280 is 1.58–2.27. the type of bacteria that can be isolated is Escherichia coli, Pseudomonas aeruginosa, Salmonella sp., Salmonella paratyphi, Bacillus subtilis, Staphylococcus aureus, Enterobacter aerogenes, Shigella sonnei, Staphylococcus epidermidis, and Mycobacterium tuberculosis. The extracted DNA can also be used for probe-based and intercalating dye-based qPCR.
{"title":"Binding buffer optimization for TEOS-modified magnetite nanoparticle-based DNA extraction method","authors":"Stanley Evander Emeltan Tjoa , Mudasir Mudasir , Edi Suharyadi , Budi Setiadi Daryono","doi":"10.1016/j.matchemphys.2025.130622","DOIUrl":"10.1016/j.matchemphys.2025.130622","url":null,"abstract":"<div><div>Magnetic nanoparticle-based DNA extraction is a well-known method. In its application, TEOS is the most common component used as a coating agent. TEOS-modified magnetic nanoparticle (TMNP) was prepared using a ratio of 0.5 ml TEOS/g MNP. The resulting TMNP has a crystalline size of 19.8 nm and has ferromagnetic properties. Selection of the appropriate binding buffer with TMNP based on the response of DNA concentration, purity, and integrity was GuSCN at a concentration of 2.5 M and dissolved at pH 6.5. This combination of TMNP and binding buffer can extract DNA of various types of bacteria and produce DNA in the range of 2.55–12.45 μg and DNA purity at 260/280 is 1.58–2.27. the type of bacteria that can be isolated is <em>Escherichia coli</em>, <em>Pseudomonas aeruginosa</em>, <em>Salmonella</em> sp., <em>Salmonella paratyphi</em>, <em>Bacillus subtilis</em>, <em>Staphylococcus aureus</em>, <em>Enterobacter aerogenes</em>, <em>Shigella sonnei</em>, <em>Staphylococcus epidermidis</em>, and <em>Mycobacterium tuberculosis</em>. The extracted DNA can also be used for probe-based and intercalating dye-based qPCR.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130622"},"PeriodicalIF":4.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}