Pub Date : 2026-01-22DOI: 10.1016/j.mseb.2026.119214
Mateus Veras Pereira , Wilfredo Fernando Roque Villanueva , Evandro Datti , Wilson S. Fernandes-Junior , Bruno Campos Janegitz , Juliano Alves Bonacin
In recent years, antibiotics and other pharmaceutical compounds have been identified as emerging contaminants in aquatic ecosystems. Therefore, the detection of antibiotics in wastewater and other water bodies is crucial for monitoring the extent of contamination, assessing their potential impacts on human and environmental health, and developing effective strategies for their removal and control. In this study, we exploited additive manufacturing to design and fabricate an electroanalytical device (electrodes and electrochemical cell, using a polymeric matrix of polylactic acid and acrylonitrile-butadiene-styrene, respectively) for detecting sulfamethoxazole (SMX) in real water samples. The 3D-printed working electrode underwent an activation process. After activation, characterization using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) revealed that the surface underwent modification, becoming more irregular and rougher, which contributed to better electrochemical activity. The electrochemical cell was applied to the detection of SMX, in a linear range of 0.5–50 μmol L−1. A good linear correlation was observed between the peak current and SMX concentration, as evidenced by the R2 value of 0.998, which confirmed a good fit of the data obtained. Furthermore, the limits of detection and quantification were 0.16 and 0.54 μmol L−1, respectively. The electrochemical system was applied to detect SMX in real water samples using square wave voltammetry (SWV) with the addition and recovery method. The recovery values obtained were 80.0 to 106%, indicating that the developed electrochemical system presented a satisfactory application for SMX detection. Therefore, the proposed electrochemical cell is an efficient alternative for antibiotic detection.
{"title":"3D-printed electrodes and electrochemical cell for sulfamethoxazole quantification","authors":"Mateus Veras Pereira , Wilfredo Fernando Roque Villanueva , Evandro Datti , Wilson S. Fernandes-Junior , Bruno Campos Janegitz , Juliano Alves Bonacin","doi":"10.1016/j.mseb.2026.119214","DOIUrl":"10.1016/j.mseb.2026.119214","url":null,"abstract":"<div><div>In recent years, antibiotics and other pharmaceutical compounds have been identified as emerging contaminants in aquatic ecosystems. Therefore, the detection of antibiotics in wastewater and other water bodies is crucial for monitoring the extent of contamination, assessing their potential impacts on human and environmental health, and developing effective strategies for their removal and control. In this study, we exploited additive manufacturing to design and fabricate an electroanalytical device (electrodes and electrochemical cell, using a polymeric matrix of polylactic acid and acrylonitrile-butadiene-styrene, respectively) for detecting sulfamethoxazole (SMX) in real water samples. The 3D-printed working electrode underwent an activation process. After activation, characterization using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) revealed that the surface underwent modification, becoming more irregular and rougher, which contributed to better electrochemical activity. The electrochemical cell was applied to the detection of SMX, in a linear range of 0.5–50 μmol L<sup>−1</sup>. A good linear correlation was observed between the peak current and SMX concentration, as evidenced by the R<sup>2</sup> value of 0.998, which confirmed a good fit of the data obtained. Furthermore, the limits of detection and quantification were 0.16 and 0.54 μmol L<sup>−1</sup>, respectively. The electrochemical system was applied to detect SMX in real water samples using square wave voltammetry (SWV) with the addition and recovery method. The recovery values obtained were 80.0 to 106%, indicating that the developed electrochemical system presented a satisfactory application for SMX detection. Therefore, the proposed electrochemical cell is an efficient alternative for antibiotic detection.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"327 ","pages":"Article 119214"},"PeriodicalIF":4.6,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037221","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 : 2026-01-22DOI: 10.1016/j.mseb.2026.119235
Chen Wu , Yanli Liang , Jianqi Ma
The spinel magnetic material CuFe2O4 was prepared using the solvothermal method and subsequently modified with triaminopropyl trimethoxysilane (APTMS). A magnetic composite catalyst (CuFe2O4@NH2@Au) was synthesized by adsorbing 3 nm Au sol through the coordination adsorption of amino groups. For mechanistic comparison, the catalytic roles of bare CuFe2O4 and CuFe2O4@NH2 were individually investigated. The results demonstrate that Au nanoparticles were stably immobilized on the surface of CuFe2O4@NH2, forming a uniformly dispersed core-shell structure. CuFe2O4@NH2@Au adsorbs dyes (eosin and methyl orange) and BH4− on its surface, where it reduces the ester group in eosin to a hydroxyl group through the action of CuFe2O4 and the noble metal Au, and reduces the -N=N- bond in methyl orange to -NH-NH-. Remarkably, 95.7% of eosin and 98.1% of methyl orange were degraded within 15 min—a performance surpassing that of single-component systems. CuFe2O4@NH2@Au exhibited excellent reusability and stability in repeated batch experiments. This work establishes a magnetically recoverable platform for efficient treatment of complex dye wastewater.
{"title":"Synergistic catalysis in core-shell CuFe2O4@NH2@Au magnetic nanocomposites for enhanced degradation of organic dye wastewater","authors":"Chen Wu , Yanli Liang , Jianqi Ma","doi":"10.1016/j.mseb.2026.119235","DOIUrl":"10.1016/j.mseb.2026.119235","url":null,"abstract":"<div><div>The spinel magnetic material CuFe<sub>2</sub>O<sub>4</sub> was prepared using the solvothermal method and subsequently modified with triaminopropyl trimethoxysilane (APTMS). A magnetic composite catalyst (CuFe<sub>2</sub>O<sub>4</sub>@NH<sub>2</sub>@Au) was synthesized by adsorbing 3 nm Au sol through the coordination adsorption of amino groups. For mechanistic comparison, the catalytic roles of bare CuFe<sub>2</sub>O<sub>4</sub> and CuFe<sub>2</sub>O<sub>4</sub>@NH<sub>2</sub> were individually investigated. The results demonstrate that Au nanoparticles were stably immobilized on the surface of CuFe<sub>2</sub>O<sub>4</sub>@NH<sub>2</sub>, forming a uniformly dispersed core-shell structure. CuFe<sub>2</sub>O<sub>4</sub>@NH<sub>2</sub>@Au adsorbs dyes (eosin and methyl orange) and BH<sub>4</sub><sup>−</sup> on its surface, where it reduces the ester group in eosin to a hydroxyl group through the action of CuFe<sub>2</sub>O<sub>4</sub> and the noble metal Au, and reduces the -N=N- bond in methyl orange to -NH-NH-. Remarkably, 95.7% of eosin and 98.1% of methyl orange were degraded within 15 min—a performance surpassing that of single-component systems. CuFe<sub>2</sub>O<sub>4</sub>@NH<sub>2</sub>@Au exhibited excellent reusability and stability in repeated batch experiments. This work establishes a magnetically recoverable platform for efficient treatment of complex dye wastewater.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"327 ","pages":"Article 119235"},"PeriodicalIF":4.6,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037222","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 : 2026-01-22DOI: 10.1016/j.mseb.2026.119229
Feng Tong , Yi Zhu , Xiuquan Gu , Zheng Chen
Perovskite nanocrystals (PNCs) are promising luminescent materials for display applications owing to their exceptional optoelectronic characteristics. Nevertheless, their practical deployment is hindered by intrinsic high defect densities, which lead to insufficient photoluminescence quantum yields (PLQYs) and accelerated material degradation. In this study, a one-pot strategy was proposed by using nitrogen-doped graphene quantum dots (NGQDs) as surface ligands. Coupled with a polymethyl methacrylate (PMMA) coating, the NGQDs facilitate the formation of a robust composite architecture. Under optimized NGQD incorporation, the fabricated CsPbBr3/NGQDs/PMMA composite films display an ultra-narrow green emission peaked at 522 nm, with a full width at half maximum (FWHM) as narrow as 16 nm. More importantly, the composite exhibits significantly enhanced stability, maintaining 70% of its initial PL intensity after 7 days of water immersion or 1 h of thermal treatment at 100 °C. Such improvements are ascribed to effective defect passivation by the NGQDs and the beneficial role of their nitrogen-rich sites in promoting perovskite crystallization. As a demonstration of their potential, white light-emitting diodes (WLEDs) based on the composite realize a wide color gamut, covering 131% of the NTSC standard and 98% of the Rec. 2020 standard. This work thus proposes a novel one-pot in situ passivation approach, providing an effective route to concurrently address the efficiency and stability issues of PNCs.
{"title":"Passivation of CsPbBr3 nanocrystals with nitrogen-doped graphene quantum dots for white LEDs","authors":"Feng Tong , Yi Zhu , Xiuquan Gu , Zheng Chen","doi":"10.1016/j.mseb.2026.119229","DOIUrl":"10.1016/j.mseb.2026.119229","url":null,"abstract":"<div><div>Perovskite nanocrystals (PNCs) are promising luminescent materials for display applications owing to their exceptional optoelectronic characteristics. Nevertheless, their practical deployment is hindered by intrinsic high defect densities, which lead to insufficient photoluminescence quantum yields (PLQYs) and accelerated material degradation. In this study, a one-pot strategy was proposed by using nitrogen-doped graphene quantum dots (NGQDs) as surface ligands. Coupled with a polymethyl methacrylate (PMMA) coating, the NGQDs facilitate the formation of a robust composite architecture. Under optimized NGQD incorporation, the fabricated CsPbBr<sub>3</sub>/NGQDs/PMMA composite films display an ultra-narrow green emission peaked at 522 nm, with a full width at half maximum (FWHM) as narrow as 16 nm. More importantly, the composite exhibits significantly enhanced stability, maintaining 70% of its initial PL intensity after 7 days of water immersion or 1 h of thermal treatment at 100 °C. Such improvements are ascribed to effective defect passivation by the NGQDs and the beneficial role of their nitrogen-rich sites in promoting perovskite crystallization. As a demonstration of their potential, white light-emitting diodes (WLEDs) based on the composite realize a wide color gamut, covering 131% of the NTSC standard and 98% of the Rec. 2020 standard. This work thus proposes a novel one-pot <em>in situ</em> passivation approach, providing an effective route to concurrently address the efficiency and stability issues of PNCs.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"327 ","pages":"Article 119229"},"PeriodicalIF":4.6,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037290","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}
This investigation aims on the fabrication of Na+ enriched tetragonal zirconia (t-ZrO2) quantum dots (QDs) by a simple one step green solution based self- combustion synthesis route using fresh tomato juice as reducing, mineral stabilizing and capping agent. Successful fabrication of highly stable Na+ enriched t-ZrO2 with a mean nano-crystallite size of ∼ 6 (±2) nm in the dominant tetragonal symmetry is affirmed by TGA, PXRD, Rietveld, SAED, HRTEM, EDX, XPS, DLS, Zeta potential, FTIR and Raman spectroscopic analysis. The Na+ enriched t-ZrO2 QDs significantly absorb light in the blue-UV region (below 400 nm) along with a swift rise in the optical absorption below 250 nm. The obtained indirect band gap (Eg = 3.4 (±0.1) eV) and Urbach energy (Eu = 0.48 eV) indicated that Na+ enrichment led to tightening and diminishing of the direct band gap in t-ZrO2 QDs. Notably, these QDs strongly emit light in the green-yellow color region upon excitation with a 325 nm radiation, owing to formation of intermediate energy bands by surface and F-center defects. Magnetization study established perfect diamagnetic character of the Na+ enriched t-ZrO2 QDs at 300 K with a pretty small negative susceptibility (χdia = − 8.97 × 10−7 emu. g−1.Oe−1). In nutshell, present study shed some light on a simple green synthesis strategy for the fabrication of phase-stabilized & Na+ enriched t-ZrO2 QDs in the dominant tetragonal symmetry at low temperatures. The Na+ enriched t-ZrO2 QDs possess good potential for their utilization in the green-yellowish LEDs, Blue-UV light protection layer and other mechanical, opto-electronic & biomedical applications, including dental and bone engineering.
{"title":"One step green synthesis and characterization of Na+ enriched t-ZrO2 QDs: Exploring the nano-structural, electronic, optical and photoluminescence characteristics","authors":"Vinod Kumar, Manisha, Sudeep Tiwari, Anisha Bano, Vivek K. Salvi, Anita Yadav, Himani Bhoi, Sudhish Kumar","doi":"10.1016/j.mseb.2026.119228","DOIUrl":"10.1016/j.mseb.2026.119228","url":null,"abstract":"<div><div>This investigation aims on the fabrication of Na<sup>+</sup> enriched tetragonal zirconia (t-ZrO<sub>2</sub>) quantum dots (QDs) by a simple one step green solution based self- combustion synthesis route using fresh tomato juice as reducing, mineral stabilizing and capping agent. Successful fabrication of highly stable Na<sup>+</sup> enriched t-ZrO<sub>2</sub> with a mean nano-crystallite size of ∼ 6 (±2) nm in the dominant tetragonal symmetry is affirmed by TGA, PXRD, Rietveld, SAED, HRTEM, EDX, XPS, DLS, Zeta potential, FTIR and Raman spectroscopic analysis. The Na<sup>+</sup> enriched t-ZrO<sub>2</sub> QDs significantly absorb light in the blue-UV region (below 400 nm) along with a swift rise in the optical absorption below 250 nm. The obtained indirect band gap (E<sub>g</sub> = 3.4 (±0.1) eV) and Urbach energy (E<sub>u</sub> = 0.48 eV) indicated that Na<sup>+</sup> enrichment led to tightening and diminishing of the direct band gap in t-ZrO<sub>2</sub> QDs. Notably, these QDs strongly emit light in the green-yellow color region upon excitation with a 325 nm radiation, owing to formation of intermediate energy bands by surface and F-center defects. Magnetization study established perfect diamagnetic character of the Na<sup>+</sup> enriched t-ZrO<sub>2</sub> QDs at 300 K with a pretty small negative susceptibility (χ<sub>dia</sub> = − 8.97 × 10<sup>−7</sup> emu. g<sup>−1</sup>.Oe<sup>−1</sup>). In nutshell, present study shed some light on a simple green synthesis strategy for the fabrication of phase-stabilized & Na<sup>+</sup> enriched t-ZrO<sub>2</sub> QDs in the dominant tetragonal symmetry at low temperatures. The Na<sup>+</sup> enriched t-ZrO<sub>2</sub> QDs possess good potential for their utilization in the green-yellowish LEDs, Blue-UV light protection layer and other mechanical, opto-electronic & biomedical applications, including dental and bone engineering.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"327 ","pages":"Article 119228"},"PeriodicalIF":4.6,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037224","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 : 2026-01-22DOI: 10.1016/j.mseb.2026.119223
Ellapu Bhanu Prakash , Anil Prasad Dadi , Vijay Maitra , Tathagata Ghose , Ashok Ray , Sushanta Bordoloi
This work presents a comprehensive investigation of AlGaN/GaN HEMTs employing different surface engineering strategies. Devices with different cap configurations such as without GaN cap, with GaN cap and with AlN cap is numerically analyzed to evaluate their DC and RF performance. The influence of these cap configurations on the 2DEG density, drain current, transconductance, leakage behavior, breakdown voltage, gate capacitance, and high-frequency figures of merit is systematically assessed. Compared with uncapped devices, the GaN capped HEMT exhibited improved ON-state current, enhanced transconductance, and reduced gate leakage. The AlN capped HEMT further demonstrated superior characteristics, including a significant increase in ON-state current (697 mA/mm), a higher I/I ratio (1.62 × 10), enhanced breakdown voltage (962 V), and improved Johnson and Baliga figures of merit. These results provide insight into the trade-off between ON-state performance and OFF-state reliability, and offer practical guidelines for the design of high-performance AlGaN/GaN HEMTs through optimized cap-layer selection.
{"title":"Cap-layer engineering in AlGaN/GaN HEMTs with AlN buffer for enhanced breakdown and Johnson Figure of Merit","authors":"Ellapu Bhanu Prakash , Anil Prasad Dadi , Vijay Maitra , Tathagata Ghose , Ashok Ray , Sushanta Bordoloi","doi":"10.1016/j.mseb.2026.119223","DOIUrl":"10.1016/j.mseb.2026.119223","url":null,"abstract":"<div><div>This work presents a comprehensive investigation of AlGaN/GaN HEMTs employing different surface engineering strategies. Devices with different cap configurations such as without GaN cap, with GaN cap and with AlN cap is numerically analyzed to evaluate their DC and RF performance. The influence of these cap configurations on the 2DEG density, drain current, transconductance, leakage behavior, breakdown voltage, gate capacitance, and high-frequency figures of merit is systematically assessed. Compared with uncapped devices, the GaN capped HEMT exhibited improved ON-state current, enhanced transconductance, and reduced gate leakage. The AlN capped HEMT further demonstrated superior characteristics, including a significant increase in ON-state current (697 mA/mm), a higher I<span><math><msub><mrow></mrow><mrow><mi>o</mi><mi>n</mi></mrow></msub></math></span>/I<span><math><msub><mrow></mrow><mrow><mi>o</mi><mi>f</mi><mi>f</mi></mrow></msub></math></span> ratio (1.62 × 10<span><math><msup><mrow></mrow><mrow><mn>8</mn></mrow></msup></math></span>), enhanced breakdown voltage (962 V), and improved Johnson and Baliga figures of merit. These results provide insight into the trade-off between ON-state performance and OFF-state reliability, and offer practical guidelines for the design of high-performance AlGaN/GaN HEMTs through optimized cap-layer selection.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"327 ","pages":"Article 119223"},"PeriodicalIF":4.6,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146006820","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 : 2026-01-21DOI: 10.1016/j.mseb.2026.119226
Nirusha Srinanthakumar , Ashantha Goonetilleke , James McGree , Erick R. Bandala , Kannan Nadarajah
The transformation of biowaste into high-performance functional materials presents a promising strategy for sustainable environmental technologies. In this study, a novel biogenic carbon-based catalytic matrix (CBCM) was synthesized from prawn shell waste, integrating chitin-derived carbon and in-situ formed calcite to yield a hybrid material with distinctive structural and surface characteristics. Comprehensive characterization using X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR) revealed a composite architecture featuring both organic (Chitin) and inorganic (Calcite) crystalline domains, along with abundant surface oxygenated functional groups (OH, CO, CO-NH, and CO). These structural attributes underpin the CBCM's dual-mode adsorption capability, enabling simultaneous and efficient uptake of both cationic (Malachite green) and anionic (Congo red) dyes. Kinetic and isotherm analyses highlighted the dominant roles of hydrogen bonding and π-π interactions, directly linked to the material's functional groups and porous surface morphology. Response surface modeling confirmed strong agreement between predicted and experimental adsorption capacities (R2 = 0.978), underscoring the reliability of the structure-function correlation. This work demonstrates how rational design and valorization of marine biowaste can yield multifunctional materials, with the CBCM serving as a proof-of-concept platform for pollutant capture and broader environmental applications.
{"title":"Biogenic carbon matrix with dual-mode adsorption capability: synthesis, characterization and mechanistic insights","authors":"Nirusha Srinanthakumar , Ashantha Goonetilleke , James McGree , Erick R. Bandala , Kannan Nadarajah","doi":"10.1016/j.mseb.2026.119226","DOIUrl":"10.1016/j.mseb.2026.119226","url":null,"abstract":"<div><div>The transformation of biowaste into high-performance functional materials presents a promising strategy for sustainable environmental technologies. In this study, a novel biogenic carbon-based catalytic matrix (CBCM) was synthesized from prawn shell waste, integrating chitin-derived carbon and in-situ formed calcite to yield a hybrid material with distinctive structural and surface characteristics. Comprehensive characterization using X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR) revealed a composite architecture featuring both organic (Chitin) and inorganic (Calcite) crystalline domains, along with abundant surface oxygenated functional groups (O<img>H, C<img>O, CO-NH, and C<img>O). These structural attributes underpin the CBCM's dual-mode adsorption capability, enabling simultaneous and efficient uptake of both cationic (Malachite green) and anionic (Congo red) dyes. Kinetic and isotherm analyses highlighted the dominant roles of hydrogen bonding and π-π interactions, directly linked to the material's functional groups and porous surface morphology. Response surface modeling confirmed strong agreement between predicted and experimental adsorption capacities (R<sup>2</sup> = 0.978), underscoring the reliability of the structure-function correlation. This work demonstrates how rational design and valorization of marine biowaste can yield multifunctional materials, with the CBCM serving as a proof-of-concept platform for pollutant capture and broader environmental applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"326 ","pages":"Article 119226"},"PeriodicalIF":4.6,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023648","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 : 2026-01-21DOI: 10.1016/j.mseb.2026.119219
S. Tamilarasi , S.P. Sunwathi , B. Sahaya Infant Lasalle , Kalpana Sukumar , Muthu Senthil Pandian , J. Janczak , N. Kanagathara
Single crystals of Bis (Glycinium) 1,5 − Naphthalene disulfonate dihydrate (GNSH) were full-grown at ambient temperature by the slow evaporation solution technique (SEST) with distilled water as the solvent. Structural characterization by single-crystal X-ray diffraction (SC − XRD) confirmed that the crystal belongs to the triclinic crystal system with P − 1 space-group symmetry. Fourier transform infrared (FT-IR) spectroscopy was employed to identify and assign the characteristic vibrational modes of the essential functional groups. The optical absorption behaviour was investigated through UV–Visible NIR spectroscopy to establish the optical properties of the material. Thermogravimetric and differential thermal analysis (TG − DTA) demonstrated the excellent thermal stability with decomposition initiating above 161 °C. Photoconductivity measurements were carried out to determine the photocurrent and dark current under illumination and darkness, respectively, revealing the negative photoconductive behaviour of the GNSH crystals. Frequency-dependent dielectric measurements performed at ambient temperature were used to assess the electrical properties, yielding both the dielectric constant and dielectric loss. Electronic polarizability was determined using established parameters, including the number of valence electrons, molecular weight, energy band gap, and material density. Density Functional Theory (DFT) calculations employing the RB3LYP/6–311++G (d, p) method provided insight into the charge transfer interactions within the supramolecular unit, as indicated by a computed HOMO-LUMO energy gap of 4.576 eV. Further analysis through Hirshfeld Surfaces (HS) and two-dimensional fingerprint plots revealed the nature of interactions between glycine cations and naphthalene sulfonate anions, which together form a robust three-dimensional supramolecular structure. Topological analysis conducted using Multiwfn software further refined the understanding of weak interactions, binding sites and structural bonding patterns within the GNSH crystal. Third−order NLO properties, including the nonlinear refractive index (n₂), nonlinear absorption coefficient (β), and third−order nonlinear susceptibility (χ (3)), were determined by Z − scan spectroscopy at a wavelength of 632.8 nm using a helium‑neon laser source. The GNSH crystals synthesized by the SEST method exhibited significant third-order nonlinear optical susceptibility, establishing the material as a promising candidate for next-generation nonlinear optical and photonic device applications.
{"title":"Growth, optical, thermal, electrical and theoretical insights on bis (Glycinium) 1,5 − naphthalene disulfonate dihydrate (GNSH) single crystals for optical applications","authors":"S. Tamilarasi , S.P. Sunwathi , B. Sahaya Infant Lasalle , Kalpana Sukumar , Muthu Senthil Pandian , J. Janczak , N. Kanagathara","doi":"10.1016/j.mseb.2026.119219","DOIUrl":"10.1016/j.mseb.2026.119219","url":null,"abstract":"<div><div>Single crystals of Bis (Glycinium) 1,5 − Naphthalene disulfonate dihydrate (GNSH) were full-grown at ambient temperature by the slow evaporation solution technique (SEST) with distilled water as the solvent. Structural characterization by single-crystal X-ray diffraction (SC − XRD) confirmed that the crystal belongs to the triclinic crystal system with P − 1 space-group symmetry. Fourier transform infrared (FT-IR) spectroscopy was employed to identify and assign the characteristic vibrational modes of the essential functional groups. The optical absorption behaviour was investigated through UV–Visible NIR spectroscopy to establish the optical properties of the material. Thermogravimetric and differential thermal analysis (TG − DTA) demonstrated the excellent thermal stability with decomposition initiating above 161 °C. Photoconductivity measurements were carried out to determine the photocurrent and dark current under illumination and darkness, respectively, revealing the negative photoconductive behaviour of the GNSH crystals. Frequency-dependent dielectric measurements performed at ambient temperature were used to assess the electrical properties, yielding both the dielectric constant and dielectric loss. Electronic polarizability was determined using established parameters, including the number of valence electrons, molecular weight, energy band gap, and material density. Density Functional Theory (DFT) calculations employing the RB3LYP/6–311++G (d, p) method provided insight into the charge transfer interactions within the supramolecular unit, as indicated by a computed HOMO-LUMO energy gap of 4.576 eV. Further analysis through Hirshfeld Surfaces (HS) and two-dimensional fingerprint plots revealed the nature of interactions between glycine cations and naphthalene sulfonate anions, which together form a robust three-dimensional supramolecular structure. Topological analysis conducted using Multiwfn software further refined the understanding of weak interactions, binding sites and structural bonding patterns within the GNSH crystal. Third−order NLO properties, including the nonlinear refractive index (n₂), nonlinear absorption coefficient (β), and third−order nonlinear susceptibility (χ <sup>(3)</sup>), were determined by Z − scan spectroscopy at a wavelength of 632.8 nm using a helium‑neon laser source. The GNSH crystals synthesized by the SEST method exhibited significant third-order nonlinear optical susceptibility, establishing the material as a promising candidate for next-generation nonlinear optical and photonic device applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"326 ","pages":"Article 119219"},"PeriodicalIF":4.6,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023493","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 : 2026-01-21DOI: 10.1016/j.mseb.2026.119231
Dev Bahadur Khadka , Suresh Sagadevan , Md Arif Ul Islam , Shinya Kato , Tetsuo Soga
Bismuth vanadate (BiVO4) is an n-type semiconductor of bismuth-based oxide perovskite nature, characterized by a relatively low bandgap of (2.2–2.5) eV. This material is primarily explored in photoanodes, electrodes, and photocatalysis phenomena. Nanostructures, greater availability, and a stable nature of BiVO4 have been demonstrated significantly in recent studies. The surface morphology, structure, optical properties, and electrical properties are considered for the effect of the bismuth to vanadium ratio in the precursor solutions. A simple and time-efficient spin coating at a moderate speed was used to synthesize the thin films. In our study, a low Bi/V ratio results in a single layer of BiVO4; however, a higher Bi/V ratio exhibits a heterostructure of BiVO4 and Bi4V2O11 by a single spin coating.Further increasing the Bi/V ratio yields almost a single layer of Bi4V2O11. The open circuit voltage is increased from 0.39 V at the single-phase BiVO4 to nearly twofold, 0.63 V with BiVO4/Bi4V2O11 heterostructure due to ferroelectric properties. Interestingly, the existence of BiVO4 on Bi4V2O11 promoted an additional voltage to the open circuit voltage, exhibiting a small remanent voltage.
{"title":"Effect of Bi/V ratio in the precursor on structural, optical, and photovoltaic properties of bismuth vanadium oxide thin films by spin coating","authors":"Dev Bahadur Khadka , Suresh Sagadevan , Md Arif Ul Islam , Shinya Kato , Tetsuo Soga","doi":"10.1016/j.mseb.2026.119231","DOIUrl":"10.1016/j.mseb.2026.119231","url":null,"abstract":"<div><div>Bismuth vanadate (BiVO<sub>4</sub>) is an n-type semiconductor of bismuth-based oxide perovskite nature, characterized by a relatively low bandgap of (2.2–2.5) eV. This material is primarily explored in photoanodes, electrodes, and photocatalysis phenomena. Nanostructures, greater availability, and a stable nature of BiVO<sub>4</sub> have been demonstrated significantly in recent studies. The surface morphology, structure, optical properties, and electrical properties are considered for the effect of the bismuth to vanadium ratio in the precursor solutions. A simple and time-efficient spin coating at a moderate speed was used to synthesize the thin films. In our study, a low Bi/V ratio results in a single layer of BiVO<sub>4</sub>; however, a higher Bi/V ratio exhibits a heterostructure of BiVO<sub>4</sub> and Bi<sub>4</sub>V<sub>2</sub>O<sub>11</sub> by a single spin coating.Further increasing the Bi/V ratio yields almost a single layer of Bi<sub>4</sub>V<sub>2</sub>O<sub>11</sub>. The open circuit voltage is increased from 0.39 V at the single-phase BiVO<sub>4</sub> to nearly twofold, 0.63 V with BiVO<sub>4</sub>/Bi<sub>4</sub>V<sub>2</sub>O<sub>11</sub> heterostructure due to ferroelectric properties. Interestingly, the existence of BiVO<sub>4</sub> on Bi<sub>4</sub>V<sub>2</sub>O<sub>11</sub> promoted an additional voltage to the open circuit voltage, exhibiting a small remanent voltage.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"326 ","pages":"Article 119231"},"PeriodicalIF":4.6,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023492","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}
Lithium titanate (Li4Ti5O12, LTO) anodes are widely used in energy storage systems, yet their efficient recycling remains challenging due to the high energy demand and complexity of conventional processes. This study presents a solvent-assisted direct recycling strategy for LTO anodes recovered from three representative sources: commercial powders, electrode manufacturing scrap, and cycle-aged cells. The process employs sequential N-methyl-2-pyrrolidone (NMP) and ethanol treatments followed by low-temperature vacuum drying (≤110 °C), thereby eliminating high-temperature calcination while preserving the spinel structure. Structural and morphological characterizations confirm that the LTO spinel framework is largely retained after recycling, with only minor source-dependent variations in lattice parameters and particle morphology. Scrap-derived LTO exhibits particle-size distributions, thermal stability, and electrochemical behavior comparable to those of commercial LTO. In contrast, LTO recovered from cycle-aged cells shows increased surface-related degradation and interfacial resistance, leading to reduced rate capability and capacity retention. Notably, all recycled materials maintain a stable voltage plateau at approximately 1.55 V vs. Li+/Li, indicating preservation of the intrinsic lithium intercalation mechanism. To address performance degradation in recycled materials, a compositional blending strategy combining recycled and commercial LTO is investigated. Blended electrodes demonstrate improved rate performance and cycling stability compared with recycled LTO alone. Overall, this work provides a manufacturing-relevant evaluation of solvent-assisted direct recycling for LTO anodes and offers practical guidance for reuse-oriented implementation in lithium-ion battery systems.
钛酸锂（Li4Ti5O12， LTO）阳极广泛应用于储能系统，但由于其高能量需求和传统工艺的复杂性，其有效回收仍然具有挑战性。本研究提出了一种溶剂辅助的直接回收策略，用于从三个代表性来源回收的LTO阳极：商业粉末，电极制造废料和循环老化电池。该工艺采用连续n -甲基-2-吡咯烷酮（NMP）和乙醇处理，然后进行低温真空干燥（≤110℃），从而在保留尖晶石结构的同时消除了高温煅烧。结构和形态表征证实，LTO尖晶石骨架在回收后大部分被保留，晶格参数和颗粒形态只有轻微的源依赖性变化。废料衍生的LTO表现出与商业LTO相当的粒度分布、热稳定性和电化学行为。相比之下，从循环老化的细胞中恢复的LTO显示出增加的表面相关降解和界面阻力，导致速率能力和容量保持能力降低。值得注意的是，所有的回收材料都保持了一个稳定的电压平台，大约在1.55 V vs. Li+/Li，表明保留了固有的锂嵌入机制。为了解决回收材料性能下降的问题，研究了一种将回收材料与商业LTO相结合的复合混合策略。与单独回收LTO相比，混合电极具有更好的倍率性能和循环稳定性。总的来说，这项工作为LTO阳极的溶剂辅助直接回收提供了与制造相关的评估，并为锂离子电池系统中面向再利用的实施提供了实用指导。
{"title":"Solvent-assisted direct recycling of Li4Ti5O12 anodes for sustainable lithium-ion battery production","authors":"Chui-Chang Chiu , Wen-Chia Hsu , Chung-Chieh Chang , Yu-Cheng Chiu","doi":"10.1016/j.mseb.2026.119224","DOIUrl":"10.1016/j.mseb.2026.119224","url":null,"abstract":"<div><div>Lithium titanate (Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub>, LTO) anodes are widely used in energy storage systems, yet their efficient recycling remains challenging due to the high energy demand and complexity of conventional processes. This study presents a solvent-assisted direct recycling strategy for LTO anodes recovered from three representative sources: commercial powders, electrode manufacturing scrap, and cycle-aged cells. The process employs sequential <em>N</em>-methyl-2-pyrrolidone (NMP) and ethanol treatments followed by low-temperature vacuum drying (≤110 °C), thereby eliminating high-temperature calcination while preserving the spinel structure. Structural and morphological characterizations confirm that the LTO spinel framework is largely retained after recycling, with only minor source-dependent variations in lattice parameters and particle morphology. Scrap-derived LTO exhibits particle-size distributions, thermal stability, and electrochemical behavior comparable to those of commercial LTO. In contrast, LTO recovered from cycle-aged cells shows increased surface-related degradation and interfacial resistance, leading to reduced rate capability and capacity retention. Notably, all recycled materials maintain a stable voltage plateau at approximately 1.55 V vs. Li<sup>+</sup>/Li, indicating preservation of the intrinsic lithium intercalation mechanism. To address performance degradation in recycled materials, a compositional blending strategy combining recycled and commercial LTO is investigated. Blended electrodes demonstrate improved rate performance and cycling stability compared with recycled LTO alone. Overall, this work provides a manufacturing-relevant evaluation of solvent-assisted direct recycling for LTO anodes and offers practical guidance for reuse-oriented implementation in lithium-ion battery systems.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"326 ","pages":"Article 119224"},"PeriodicalIF":4.6,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023505","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 : 2026-01-20DOI: 10.1016/j.mseb.2026.119207
Javier Yeste, Vicente Muñoz-Sanjosé
This work presents a combined numerical and experimental study of Cd₁₋ₓZnₓO thin film growth in a two-inlet horizontal MOCVD reactor. A three-dimensional model was used to analyse flow patterns, temperature fields, and precursor transport, enabling a direct comparison between helium and nitrogen as carrier gases. It was determined that helium produces smooth, centrally directed longitudinal flow, higher diffusion coefficients, and more uniform temperature fields, but results in larger film composition variations. In contrast, nitrogen induces longitudinal convective rolls that generate heterogeneous temperature zones, enhanced convective mixing, and a reduced effective boundary-layer thickness, leading to smoother zinc composition gradients at the expense of sharper thickness variations. These trends were experimentally validated through the deposition of CdZnO films on 2-in. r-sapphire substrates and the spatial characterization of their thickness and composition.
{"title":"Crystal growth of CdZnO thin films: a combined numerical and experimental study in a two-inlet horizontal MOCVD reactor","authors":"Javier Yeste, Vicente Muñoz-Sanjosé","doi":"10.1016/j.mseb.2026.119207","DOIUrl":"10.1016/j.mseb.2026.119207","url":null,"abstract":"<div><div>This work presents a combined numerical and experimental study of Cd₁₋ₓZnₓO thin film growth in a two-inlet horizontal MOCVD reactor. A three-dimensional model was used to analyse flow patterns, temperature fields, and precursor transport, enabling a direct comparison between helium and nitrogen as carrier gases. It was determined that helium produces smooth, centrally directed longitudinal flow, higher diffusion coefficients, and more uniform temperature fields, but results in larger film composition variations. In contrast, nitrogen induces longitudinal convective rolls that generate heterogeneous temperature zones, enhanced convective mixing, and a reduced effective boundary-layer thickness, leading to smoother zinc composition gradients at the expense of sharper thickness variations. These trends were experimentally validated through the deposition of CdZnO films on 2-in. r-sapphire substrates and the spatial characterization of their thickness and composition.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"326 ","pages":"Article 119207"},"PeriodicalIF":4.6,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023494","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}
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