Pub Date : 2026-01-30DOI: 10.1016/j.nxmate.2026.101664
Hoang Van Ngoc
Using density functional theory, we examine the electronic, optical, and thermoelectric properties of Fe-decorated ZnO/silicene heterostructures (Fe-decorated ZnO/silicene) and their interactions with CO, H2S, and SO2 molecules. CO and SO2 exhibit strong chemisorption at the Fe sites, whereas H2S adsorption is energetically unfavorable, as reflected by its positive adsorption energy. The pristine heterostructure is magnetic, but gas adsorption reduces the magnetic moment, with the largest suppression induced by H2S. Adsorption also leads to pronounced charge redistribution and substantial modifications in the optical response, including changes in the dielectric function and absorption characteristics. The thermoelectric behavior-particularly the Seebeck coefficient and electrical conductivity-shows notable sensitivity to gas species, with CO inducing the strongest variations. These findings demonstrate that Fe-ZnO/silicene is a promising platform for selective gas detection and spintronic applications.
{"title":"Tailoring the electronic, optical, and thermoelectric response of 2D ZnO/silicene heterostructures via Fe decoration for efficient CO, H2S, and SO2 detection","authors":"Hoang Van Ngoc","doi":"10.1016/j.nxmate.2026.101664","DOIUrl":"10.1016/j.nxmate.2026.101664","url":null,"abstract":"<div><div>Using density functional theory, we examine the electronic, optical, and thermoelectric properties of Fe-decorated ZnO/silicene heterostructures (Fe-decorated ZnO/silicene) and their interactions with CO, H<sub>2</sub>S, and SO<sub>2</sub> molecules. CO and SO<sub>2</sub> exhibit strong chemisorption at the Fe sites, whereas H<sub>2</sub>S adsorption is energetically unfavorable, as reflected by its positive adsorption energy. The pristine heterostructure is magnetic, but gas adsorption reduces the magnetic moment, with the largest suppression induced by H<sub>2</sub>S. Adsorption also leads to pronounced charge redistribution and substantial modifications in the optical response, including changes in the dielectric function and absorption characteristics. The thermoelectric behavior-particularly the Seebeck coefficient and electrical conductivity-shows notable sensitivity to gas species, with CO inducing the strongest variations. These findings demonstrate that Fe-ZnO/silicene is a promising platform for selective gas detection and spintronic applications.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101664"},"PeriodicalIF":0.0,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079120","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 : 2026-01-30DOI: 10.1016/j.nxmate.2026.101669
Poonam V. Bhoir , Tejas S. Patil , Akash N. Ghoti , Satish K. Pardeshi , Rushikesh G. Bobade , Ashokrao B. Patil
Samarium-Gadolinium doped Zinc Oxide (Sm-Gd@ZnO) nanoparticles (NPs) were synthesized using a simple, green, cost-effective method with coconut water as a natural reducing and stabilizing agent. The synthesized NPs were comprehensively characterized using various techniques including, Thermogravimetry-Differential Thermal Analysis (TG-DTA), Fourier Transform Infrared Spectroscopy (FT-IR), X-Ray Diffraction (XRD), Photoluminescence (PL), High-Resolution Transmission Electron Microscopy (HR-TEM), Selected Area Electron Diffraction (SAED), Sanning Electron Microscopy (SEM), Energy-Dispersive X-Ray Spectroscopy (EDAX), X-Ray Photoelectron Spectroscopy (XPS) and UV–visible spectroscopy. XRD pattern confirmed the formation of highly crystalline ZnO with a hexagonal wurtzite structure, while HR-TEM revealed hexagonal and nearly spherical morphology of the NPs with a tendency to form slightly agglomaerated cluster with an average particle size of 25 nm. UV–visible analysis demonstrated enhanced light absorption, and PL spectra indicated reduced charge carrier recombination in co-doped samples. XPS results verified the successful incorporation of Sm and Gd ions into the ZnO lattice in their trivalent oxidation state. BET analysis revealed an increased surface area and N2 adsorption-desorption studies confirmed mesoporous morphology. The synthesized Sm-Gd@ZnO NPs exhibited remarkable photocatalytic performance, achieving 99 % degradation of MB dye under solar irradiation within 4 h. The reusability tests verified an efficiency retention of 94 % after three cycles. Furthermore, they displayed strong antimicrobial activity against Bacillus subtilis, highlighting the synergistic effect of co-doping in ternary NPs (Sm-Gd@ZnO) compared to bare ZnO and binary NPs. This research contributes significantly to the advancement of eco-friendly technologies in environmental remediation and offers effective solutions for mitigating dye pollution from industrial sources.
{"title":"Coconut water-mediated green synthesis of Sm-Gd@ZnO nanoparticles with enhanced photocatalytic and antimicrobial performance","authors":"Poonam V. Bhoir , Tejas S. Patil , Akash N. Ghoti , Satish K. Pardeshi , Rushikesh G. Bobade , Ashokrao B. Patil","doi":"10.1016/j.nxmate.2026.101669","DOIUrl":"10.1016/j.nxmate.2026.101669","url":null,"abstract":"<div><div>Samarium-Gadolinium doped Zinc Oxide (Sm-Gd@ZnO) nanoparticles (NPs) were synthesized using a simple, green, cost-effective method with coconut water as a natural reducing and stabilizing agent. The synthesized NPs were comprehensively characterized using various techniques including, Thermogravimetry-Differential Thermal Analysis (TG-DTA), Fourier Transform Infrared Spectroscopy (FT-IR), X-Ray Diffraction (XRD), Photoluminescence (PL), High-Resolution Transmission Electron Microscopy (HR-TEM), Selected Area Electron Diffraction (SAED), Sanning Electron Microscopy (SEM), Energy-Dispersive X-Ray Spectroscopy (EDAX), X-Ray Photoelectron Spectroscopy (XPS) and UV–visible spectroscopy. XRD pattern confirmed the formation of highly crystalline ZnO with a hexagonal wurtzite structure, while HR-TEM revealed hexagonal and nearly spherical morphology of the NPs with a tendency to form slightly agglomaerated cluster with an average particle size of 25 nm. UV–visible analysis demonstrated enhanced light absorption, and PL spectra indicated reduced charge carrier recombination in co-doped samples. XPS results verified the successful incorporation of Sm and Gd ions into the ZnO lattice in their trivalent oxidation state. BET analysis revealed an increased surface area and N<sub>2</sub> adsorption-desorption studies confirmed mesoporous morphology. The synthesized Sm-Gd@ZnO NPs exhibited remarkable photocatalytic performance, achieving 99 % degradation of MB dye under solar irradiation within 4 h. The reusability tests verified an efficiency retention of 94 % after three cycles. Furthermore, they displayed strong antimicrobial activity against <em>Bacillus subtilis</em>, highlighting the synergistic effect of co-doping in ternary NPs (Sm-Gd@ZnO) compared to bare ZnO and binary NPs. This research contributes significantly to the advancement of eco-friendly technologies in environmental remediation and offers effective solutions for mitigating dye pollution from industrial sources.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101669"},"PeriodicalIF":0.0,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079122","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 : 2026-01-30DOI: 10.1016/j.nxmate.2026.101677
Van-Thuc Nguyen , Vo Thi Thu Nhu , Xuan-Tien Vo , Tran Ngoc Thien
This report examines the laser impact welding (LIW) process of Ni-Al dissimilar metals, focusing on the formation mechanism of the joining via molecular dynamics (MD) simulation. The effects of impact depth, impact angle, and impact speed are examined. The results indicate that increasing the impact speed leads to better bonding quality, higher strain, stress, and structure transformation levels. At 1000 m/s to 2000 m/s, there are ejecting atoms that accumulate to form a cloud of particles and then become visible emission or jetting. The temperature evolution shows that some zone has a high temperature, leading to the local fusion welding state and facilitate the jetting effects. The displacement vector reveals the twisting atoms or vortex formation at the interface. The quality of the welding is significantly impacted by altering the impact angle. The atoms are well-intruded when impacting at 5°10°, which leads to good interface bonding. To improve findings, additional research should be undertaken using different simulation methods or experiments in the future.
{"title":"Numerical investigation on the laser impact welding process with dissimilar metallic joints","authors":"Van-Thuc Nguyen , Vo Thi Thu Nhu , Xuan-Tien Vo , Tran Ngoc Thien","doi":"10.1016/j.nxmate.2026.101677","DOIUrl":"10.1016/j.nxmate.2026.101677","url":null,"abstract":"<div><div>This report examines the laser impact welding (LIW) process of Ni-Al dissimilar metals, focusing on the formation mechanism of the joining via molecular dynamics (MD) simulation. The effects of impact depth, impact angle, and impact speed are examined. The results indicate that increasing the impact speed leads to better bonding quality, higher strain, stress, and structure transformation levels. At 1000 m/s to 2000 m/s, there are ejecting atoms that accumulate to form a cloud of particles and then become visible emission or jetting. The temperature evolution shows that some zone has a high temperature, leading to the local fusion welding state and facilitate the jetting effects. The displacement vector reveals the twisting atoms or vortex formation at the interface. The quality of the welding is significantly impacted by altering the impact angle. The atoms are well-intruded when impacting at 5°<img>10°, which leads to good interface bonding. To improve findings, additional research should be undertaken using different simulation methods or experiments in the future.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101677"},"PeriodicalIF":0.0,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079126","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}
A new pyrochlore solid solution with formula Bi1.56 – x/8Sb1.48-x/8Co0.96-xFexO7 (0 ≤ x ≤ 0.96) was synthesized by the ceramic method at high temperature. The cell parameter decreased gradually with increasing iron content. The structure refinement by the Rietveld method showed for x = 0.96 a new compound with formula Bi1.44Sb1.36Fe0.96O7 witch crystallizing in the Fdm space group. The average crystallite size calculated by the Scherrer equation varied between 62 and 69 nm. The scanning electron microscopy (SEM) analysis revealed a granular surface. The average particle size was estimated to be between 700 and 1072 nm. The magnetic susceptibility of Bi1.44Sb1.36Fe0.96O7 compound, measured from 5 K to 400 K, shows a Curie–Weiss temperature θCW of approximately −206.74. This value indicates significant antiferromagnetic cooperative interactions. The observed effective magnetic moment of 5.99 μB, indicated the spin-only values expected for Fe3 + (i.e 3d5, high spin . The UV-Vis diffuse reflectance spectroscopy (UV/DRS) indicated an absorption in the visible range, with an optical band gap energy (Eg) between 2.53 and 2.12 eV.
{"title":"Structural, optical and magnetic proprieties of a new pyrochlore type structure (Bi1.44□0.24Fe0.32)(Sb1.36Fe0.64)O7 compound derived from the Bi1.56 – x/8Sb1.48-x/8Co0.96-xFexO7 (0 ≤ x ≤ 0.96) solid solution","authors":"Fadia Merabet , Mayouf Sellami , Mostefa Kameche , Vincent Caignaert , Kheira Zouaoui , Bouazza Talbi , Karima Ezziane","doi":"10.1016/j.nxmate.2026.101639","DOIUrl":"10.1016/j.nxmate.2026.101639","url":null,"abstract":"<div><div>A new pyrochlore solid solution with formula Bi<sub>1.56 – x/8</sub>Sb<sub>1.48-x/8</sub>Co<sub>0.96-x</sub>Fe<sub>x</sub>O<sub>7</sub> (0 ≤ x ≤ 0.96) was synthesized by the ceramic method at high temperature. The cell parameter decreased gradually with increasing iron content. The structure refinement by the Rietveld method showed for x = 0.96 a new compound with formula Bi<sub>1.44</sub>Sb<sub>1.36</sub>Fe<sub>0.96</sub>O<sub>7</sub> witch crystallizing in the Fd<span><math><mover><mrow><mn>3</mn></mrow><mo>̅</mo></mover></math></span>m space group. The average crystallite size calculated by the Scherrer equation varied between 62 and 69 nm. The scanning electron microscopy (SEM) analysis revealed a granular surface. The average particle size was estimated to be between 700 and 1072 nm. The magnetic susceptibility of Bi<sub>1.44</sub>Sb<sub>1.36</sub>Fe<sub>0.96</sub>O<sub>7</sub> compound, measured from 5 K to 400 K, shows a Curie–Weiss temperature θ<sub>CW</sub> of approximately −206.74. This value indicates significant antiferromagnetic cooperative interactions. The observed effective magnetic moment of 5.99 <sub>μB</sub>, indicated the spin-only values expected for Fe<sup>3 +</sup> (i.e 3d<sup>5</sup>, high spin <span><math><mrow><msubsup><mrow><mi>t</mi></mrow><mrow><mn>2</mn><mi>g</mi></mrow><mrow><mn>3</mn></mrow></msubsup><msubsup><mrow><mi>e</mi></mrow><mrow><mi>g</mi></mrow><mrow><mn>2</mn></mrow></msubsup><mo>)</mo></mrow></math></span>. The UV-Vis diffuse reflectance spectroscopy (UV/DRS) indicated an absorption in the visible range, with an optical band gap energy (Eg) between 2.53 and 2.12 eV.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101639"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079326","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 : 2026-01-29DOI: 10.1016/j.nxmate.2026.101660
Fatima Ez-zahrae Mrizak , Konouz Hamidallah , Mohamed M. Elsenety , Mona Benali , Mohamed Amine Chajid , Ignacio D. Rodriguez-Llorente , Mohammed Merzouki
This study investigates the potential of indigenous dead Pseudomonas biomass isolated from brassware workshop effluents as a potential adsorbent for cadmium elimination from effluents, addressing the dual challenge of metallic pollution and industrial waste management. The optimization of cadmium adsorption capacity by dead Pseudomonas biomass has been accomplished through a Box-Behnken Design integrated with Response Surface Methodology and Artificial Neural Networks. Optimal parameters identified (temperature 45°C, pH 9, biosorbent dose 2 g. L−1, contact duration 75 min) enabled achievement of a maximum removal efficiency of 99.69 %. The dead Pseudomonas biomass was characterized using X-ray diffraction, iodine index determination, scanning electron microscopy, zeta potential analysis, X-ray fluorescence spectroscopy, Brunauer-Emmett-Teller surface analysis, and Fourier-transform infrared spectroscopy. The favorable mesoporous structure (specific surface 16.69 m2. g−1, pore volume 0.02294 cm3.g−1, average pore diameter 5.50 nm) for metallic ion diffusion has been confirmed. Adsorption equilibrium analysis indicates that the Langmuir model best represents the process, with a maximum adsorption capacity of 52.34 mg. g−1 consistent with monolayer adsorption on homogeneous sites. Kinetic study validates the pseudo-second-order model as the best fit, suggesting chemisorption as the rate-limiting step. Thermodynamic parameters confirm the spontaneous and endothermic nature of biosorption. Overall, this work demonstrates a circular economy approach by valorizing industrial effluents into efficient biosorbents, simultaneously addressing pollution control and waste management challenges in the metal finishing industry.
{"title":"Modelling and optimization of cadmium adsorption using dead Pseudomonas biomass isolates from brassware effluents using Box-Behnken Design and Artificial Neural Networks","authors":"Fatima Ez-zahrae Mrizak , Konouz Hamidallah , Mohamed M. Elsenety , Mona Benali , Mohamed Amine Chajid , Ignacio D. Rodriguez-Llorente , Mohammed Merzouki","doi":"10.1016/j.nxmate.2026.101660","DOIUrl":"10.1016/j.nxmate.2026.101660","url":null,"abstract":"<div><div>This study investigates the potential of indigenous dead <em>Pseudomonas</em> biomass isolated from brassware workshop effluents as a potential adsorbent for cadmium elimination from effluents, addressing the dual challenge of metallic pollution and industrial waste management. The optimization of cadmium adsorption capacity by dead <em>Pseudomonas</em> biomass has been accomplished through a Box-Behnken Design integrated with Response Surface Methodology and Artificial Neural Networks. Optimal parameters identified (temperature 45°C, pH 9, biosorbent dose 2 g. L<sup>−1</sup>, contact duration 75 min) enabled achievement of a maximum removal efficiency of 99.69 %. The dead <em>Pseudomonas</em> biomass was characterized using X-ray diffraction, iodine index determination, scanning electron microscopy, zeta potential analysis, X-ray fluorescence spectroscopy, Brunauer-Emmett-Teller surface analysis, and Fourier-transform infrared spectroscopy. The favorable mesoporous structure (specific surface 16.69 m<sup>2</sup>. g<sup>−1</sup>, pore volume 0.02294 cm<sup>3</sup>.g<sup>−1</sup>, average pore diameter 5.50 nm) for metallic ion diffusion has been confirmed. Adsorption equilibrium analysis indicates that the Langmuir model best represents the process, with a maximum adsorption capacity of 52.34 mg. g<sup>−1</sup> consistent with monolayer adsorption on homogeneous sites. Kinetic study validates the pseudo-second-order model as the best fit, suggesting chemisorption as the rate-limiting step. Thermodynamic parameters confirm the spontaneous and endothermic nature of biosorption. Overall, this work demonstrates a circular economy approach by valorizing industrial effluents into efficient biosorbents, simultaneously addressing pollution control and waste management challenges in the metal finishing industry.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101660"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079233","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 : 2026-01-29DOI: 10.1016/j.nxmate.2026.101640
Egbe Terence Awoh , Achisa C. Mecha , Joseph Kiplagat , Stephen K. Kimutai
Palm processing industries leave behind huge amounts of biomass annually which are not usually being disposed of sustainably. This study utilizes fast and feasible means of converting empty palm bunch biomass into supercapacitor electrodes. The two-step carbonization-activation method was used to synthesize the highly porous activated carbon, which was used in the electrodes. The resulting materials exhibited patterns similar to that of reduced graphene oxides (rGO) and a maximum specific surface area of 1375 m2/g. The supercapacitor designed from the porous activated carbon exhibits the greatest specific capacitance of 251 F/g at a scan rate of 1 mV/s, under 6 M KOH electrolyte. The corresponding GCD analysis at 100 mA/g current density was 346 F/g, and about 82.9 % of the original capacitance value was retained even after 5000 GCD cycles. The energy density and power density were 17.16 Wh/kg and 180.1 W/kg, respectively. This work does not only provide a feasible route for the management of palm agro-industrial waste, but also produces carbon materials whose electrochemical performance are competitive to state-of-the-art biomass-derived carbon, offering a sustainable pathway for electrochemical energy storage.
{"title":"Biomass-derived activated carbon from empty fruit bunches for supercapacitor electrodes: Crystallinity and electrochemical analysis","authors":"Egbe Terence Awoh , Achisa C. Mecha , Joseph Kiplagat , Stephen K. Kimutai","doi":"10.1016/j.nxmate.2026.101640","DOIUrl":"10.1016/j.nxmate.2026.101640","url":null,"abstract":"<div><div>Palm processing industries leave behind huge amounts of biomass annually which are not usually being disposed of sustainably. This study utilizes fast and feasible means of converting empty palm bunch biomass into supercapacitor electrodes. The two-step carbonization-activation method was used to synthesize the highly porous activated carbon, which was used in the electrodes. The resulting materials exhibited patterns similar to that of reduced graphene oxides (rGO) and a maximum specific surface area of 1375 m<sup>2</sup>/g. The supercapacitor designed from the porous activated carbon exhibits the greatest specific capacitance of 251 F/g at a scan rate of 1 mV/s, under 6 M KOH electrolyte. The corresponding GCD analysis at 100 mA/g current density was 346 F/g, and about 82.9 % of the original capacitance value was retained even after 5000 GCD cycles. The energy density and power density were 17.16 Wh/kg and 180.1 W/kg, respectively. This work does not only provide a feasible route for the management of palm agro-industrial waste, but also produces carbon materials whose electrochemical performance are competitive to state-of-the-art biomass-derived carbon, offering a sustainable pathway for electrochemical energy storage.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101640"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079119","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 : 2026-01-29DOI: 10.1016/j.nxmate.2026.101665
Muhammad Abdurrahman Munir , David Fernando , Imam Shofid Alaih , Fitria Rahmawati , Abdul Rohman
This study investigates the structural, thermal, morphological, and electrical properties of bio-based polyurethane (PU) composites reinforced with carbon nanotubes (CNTs). PU was synthesized using methylene diphenyl diisocyanate (MDI) and palm kernel oil-derived polyol, while CNTs were incorporated in varying concentrations (1 %, 2 %, 5 %, and 10 %) via a sonication-assisted solution casting method. The chemical structure and successful incorporation of CNTs were confirmed using Fourier Transform Infrared Spectroscopy (FTIR), revealing the preservation of the PU backbone and the presence of non-covalent interactions such as hydrogen bonding. Principal Component Analysis (PCA) of FTIR data demonstrated effective differentiation between PU and PU/CNT composites based on subtle changes in the fingerprint region. Field Emission Scanning Electron Microscopy (FESEM) confirmed a uniform and well-integrated dispersion of CNTs in the PU matrix, with minimal aggregation, supporting effective nanofiller incorporation. Thermal analyses using Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) revealed that CNTs improved the thermal stability, delayed decomposition onset, and increased residual char content, particularly at 5–10 wt% CNT. These enhancements were attributed to CNTs' barrier effect and high thermal conductivity. Electrochemical Impedance Spectroscopy (EIS) further demonstrated a significant reduction in bulk resistance with increasing CNT concentration, confirming enhanced electrical conductivity and the formation of conductive networks. The PU/CNT composites exhibited characteristic impedance behavior in line with the Randles circuit model, supporting their potential for electrochemical applications. Overall, the results indicate that CNT-reinforced PU composites possess enhanced thermal, structural, and electrochemical properties, making them promising candidates for flexible electronics, electrochemical sensors, and anti-corrosion coatings.
{"title":"Structure-property relationships in bio-based polyurethane/carbon nanotube composite coatings revealed by principal component analysis","authors":"Muhammad Abdurrahman Munir , David Fernando , Imam Shofid Alaih , Fitria Rahmawati , Abdul Rohman","doi":"10.1016/j.nxmate.2026.101665","DOIUrl":"10.1016/j.nxmate.2026.101665","url":null,"abstract":"<div><div>This study investigates the structural, thermal, morphological, and electrical properties of bio-based polyurethane (PU) composites reinforced with carbon nanotubes (CNTs). PU was synthesized using methylene diphenyl diisocyanate (MDI) and palm kernel oil-derived polyol, while CNTs were incorporated in varying concentrations (1 %, 2 %, 5 %, and 10 %) via a sonication-assisted solution casting method. The chemical structure and successful incorporation of CNTs were confirmed using Fourier Transform Infrared Spectroscopy (FTIR), revealing the preservation of the PU backbone and the presence of non-covalent interactions such as hydrogen bonding. Principal Component Analysis (PCA) of FTIR data demonstrated effective differentiation between PU and PU/CNT composites based on subtle changes in the fingerprint region. Field Emission Scanning Electron Microscopy (FESEM) confirmed a uniform and well-integrated dispersion of CNTs in the PU matrix, with minimal aggregation, supporting effective nanofiller incorporation. Thermal analyses using Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) revealed that CNTs improved the thermal stability, delayed decomposition onset, and increased residual char content, particularly at 5–10 wt% CNT. These enhancements were attributed to CNTs' barrier effect and high thermal conductivity. Electrochemical Impedance Spectroscopy (EIS) further demonstrated a significant reduction in bulk resistance with increasing CNT concentration, confirming enhanced electrical conductivity and the formation of conductive networks. The PU/CNT composites exhibited characteristic impedance behavior in line with the Randles circuit model, supporting their potential for electrochemical applications. Overall, the results indicate that CNT-reinforced PU composites possess enhanced thermal, structural, and electrochemical properties, making them promising candidates for flexible electronics, electrochemical sensors, and anti-corrosion coatings.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101665"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079121","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 : 2026-01-29DOI: 10.1016/j.nxmate.2026.101642
Sk Jahir Abbas , Sabina Yesmin
Nonmetal based polymeric materials are considered among the most promising candidates for modern applications. In light of this, we developed a modified polymeric carbon nitride material (NNOCN), which possesses the ability to conjugate with the Sgc8 aptamer, leading to the formation of the bionanomaterial (1⸧). NNOCN material is effective for the catalytic reduction of C3-substituted pyridine nucleotide and for the cooxidant free selective photooxidation of benzyl alcohols. The material was characterized through various analytical techniques, which indicated that it consists of a polymeric, sheet-like structure and is paramagnetic in nature. In contrast, the 1⸧ displayed a spherical morphology with a size range of 65–100 nm. In the catalytic reduction, the products of the substituted pyridine nucleotide moieties (3a and 3b in table S2, entry 2 and 6) were obtained in an excellent yield of 91 %. Furthermore, in the photooxidation reaction, the benzaldehyde products were produced with a high selectivity of 99.6 % and a conversion rate of 60.01 % (Table 1, entry 7).
{"title":"Nonmetal polymeric material triggered threefold character: Conjugated with Sgc8 aptamer, catalytic reduction and cooxidant free oxidation","authors":"Sk Jahir Abbas , Sabina Yesmin","doi":"10.1016/j.nxmate.2026.101642","DOIUrl":"10.1016/j.nxmate.2026.101642","url":null,"abstract":"<div><div>Nonmetal based polymeric materials are considered among the most promising candidates for modern applications. In light of this, we developed a modified polymeric carbon nitride material (NNOCN), which possesses the ability to conjugate with the Sgc8 aptamer, leading to the formation of the bionanomaterial (<em>1⸧</em>). NNOCN material is effective for the catalytic reduction of C3-substituted pyridine nucleotide and for the cooxidant free selective photooxidation of benzyl alcohols. The material was characterized through various analytical techniques, which indicated that it consists of a polymeric, sheet-like structure and is paramagnetic in nature. In contrast, the <em>1⸧</em> displayed a spherical morphology with a size range of 65–100 nm. In the catalytic reduction, the products of the substituted pyridine nucleotide moieties (3a and 3b in <span><span>table S2</span></span>, entry 2 and 6) were obtained in an excellent yield of 91 %. Furthermore, in the photooxidation reaction, the benzaldehyde products were produced with a high selectivity of 99.6 % and a conversion rate of 60.01 % (<span><span>Table 1</span></span>, entry 7).</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101642"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079325","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 study, we successfully synthesized Cu₂ZnSnS₄ (CZTS) crystals and investigated their structural and vibrational properties using field-emission scanning electron microscopy (FE-SEM), field-emission electron probe microanalysis (FE-EPMA), X-ray diffraction (XRD), Raman spectroscopy, and terahertz (THz) spectroscopy. FE-SEM confirmed a smooth and well-defined surface morphology without significant crystalline disorders, while FE-EPMA analysis indicated a near-stoichiometric composition with slight Cu enrichment and Zn/S deficiencies. XRD analysis verified the kesterite crystal structure, which was further supported by Raman spectroscopy through the identification of key vibrational modes. THz spectroscopy provided additional insights into the phonon modes of CZTS, revealing several absorption peaks in agreement with theoretical predictions. The technique also allowed for the distinction of closely spaced peaks, identifying new absorption features not previously observed with Raman spectroscopy. Temperature-dependent THz measurements at 70 K demonstrated enhanced spectral resolution and peak shifts attributed to thermal expansion and phonon interactions. These findings confirm the kesterite structure of CZTS crystals. This study contributes to a deeper understanding of CZTS material properties, facilitating its application in photovoltaic and optoelectronic devices.
{"title":"Application of terahertz spectroscopy to analyze the crystalline properties of Cu2ZnSnS4 crystal","authors":"Arata Yasuda , Katsuhiko Moriya , Sou Takahashi , Tetsuo Sasaki , Kunihiko Tanaka","doi":"10.1016/j.nxmate.2026.101653","DOIUrl":"10.1016/j.nxmate.2026.101653","url":null,"abstract":"<div><div>In this study, we successfully synthesized Cu₂ZnSnS₄ (CZTS) crystals and investigated their structural and vibrational properties using field-emission scanning electron microscopy (FE-SEM), field-emission electron probe microanalysis (FE-EPMA), X-ray diffraction (XRD), Raman spectroscopy, and terahertz (THz) spectroscopy. FE-SEM confirmed a smooth and well-defined surface morphology without significant crystalline disorders, while FE-EPMA analysis indicated a near-stoichiometric composition with slight Cu enrichment and Zn/S deficiencies. XRD analysis verified the kesterite crystal structure, which was further supported by Raman spectroscopy through the identification of key vibrational modes. THz spectroscopy provided additional insights into the phonon modes of CZTS, revealing several absorption peaks in agreement with theoretical predictions. The technique also allowed for the distinction of closely spaced peaks, identifying new absorption features not previously observed with Raman spectroscopy. Temperature-dependent THz measurements at 70 K demonstrated enhanced spectral resolution and peak shifts attributed to thermal expansion and phonon interactions. These findings confirm the kesterite structure of CZTS crystals. This study contributes to a deeper understanding of CZTS material properties, facilitating its application in photovoltaic and optoelectronic devices.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101653"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079237","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 : 2026-01-29DOI: 10.1016/j.nxmate.2026.101668
Ray Arteaga, Maria Rodriguez, Jimmy Castillo
The technology for producing nanofibers from polymeric materials has advanced in recent times. Nanofibers composed of different biopolymers and composite materials have been developed for use in a wide range of applications. The choice of materials used varies significantly based on the specific application, such as enhancing adsorptive properties, utilizing them as sensors, or applications in biomedical fields. Polymers such as polyvinyl alcohol and chitosan are widely used to produce nanofibers due to their exceptional properties. To improve the properties of these nanofibers, they can be mixed with nanoparticles to modify their physical or chemical characteristics or used as transport. In this work we present a low-voltage electrospinning technique (12 kV) for the synthesis of polyvinyl alcohol (PVA)-chitosan nanofibers, with an average diameter of 182 ± 34 nm, incorporating mesoporous SiO₂@Fe₂O₃ nanoparticles (NPs). The SiO₂ shell protects the magnetic Fe₂O₃ cores and makes it easier for the fibers to line up in the field with 78 % orientation fidelity, as shown by scanning electron microscopy (SEM). Fourier-transform infrared spectroscopy (FTIR) confirmed crosslinking through Si–O–polymer interactions, which resulted in reduced hydrophilicity, as evidenced by a contact angle of 55° compared to 40° for unmodified fibers. X-ray diffraction (XRD) analysis revealed the transformation of Fe₂O₃ to FeOOH, corresponding to JCPDS-29–0713 and JPDS-33–0664. This method provides dual functionality—magnetic guidance and adjustable wettability—suitable for targeted biomedical applications, such as tissue scaffolds.
近年来，高分子材料制备纳米纤维的技术有了很大的发展。由不同的生物聚合物和复合材料组成的纳米纤维具有广泛的应用前景。根据具体的应用，所使用的材料的选择有很大的不同，例如增强吸附性能，利用它们作为传感器，或在生物医学领域的应用。聚乙烯醇和壳聚糖等聚合物由于其优异的性能被广泛用于生产纳米纤维。为了改善这些纳米纤维的性能，它们可以与纳米粒子混合，以改变其物理或化学特性，或用作运输。在这项工作中，我们提出了一种低压静电纺丝技术（12 kV）用于合成聚乙烯醇(PVA)-壳聚糖纳米纤维，平均直径为182 ± 34 nm，含有介孔SiO₂@Fe₂O₃纳米颗粒（NPs）。扫描电子显微镜（SEM）显示，SiO₂外壳保护磁性Fe₂O₃核，使纤维更容易在磁场中排列，方向保真度为78% %。傅里叶变换红外光谱（FTIR）证实，通过si - o -聚合物相互作用产生交联，导致亲水性降低，接触角为55°，而未改性纤维的接触角为40°。x射线衍射（XRD）分析发现Fe₂O₃转化为FeOOH，对应JCPDS-29-0713和JPDS-33-0664。这种方法提供了双重功能——磁引导和可调节的润湿性——适用于定向生物医学应用，如组织支架。
{"title":"Chitosan PVA nanofibers with SiO₂@Fe₂O₃ nanoparticles incorporated for arrangements designed with magnetic guidance","authors":"Ray Arteaga, Maria Rodriguez, Jimmy Castillo","doi":"10.1016/j.nxmate.2026.101668","DOIUrl":"10.1016/j.nxmate.2026.101668","url":null,"abstract":"<div><div>The technology for producing nanofibers from polymeric materials has advanced in recent times. Nanofibers composed of different biopolymers and composite materials have been developed for use in a wide range of applications. The choice of materials used varies significantly based on the specific application, such as enhancing adsorptive properties, utilizing them as sensors, or applications in biomedical fields. Polymers such as polyvinyl alcohol and chitosan are widely used to produce nanofibers due to their exceptional properties. To improve the properties of these nanofibers, they can be mixed with nanoparticles to modify their physical or chemical characteristics or used as transport. In this work we present a low-voltage electrospinning technique (12 kV) for the synthesis of polyvinyl alcohol (PVA)-chitosan nanofibers, with an average diameter of 182 ± 34 nm, incorporating mesoporous SiO₂@Fe₂O₃ nanoparticles (NPs). The SiO₂ shell protects the magnetic Fe₂O₃ cores and makes it easier for the fibers to line up in the field with 78 % orientation fidelity, as shown by scanning electron microscopy (SEM). Fourier-transform infrared spectroscopy (FTIR) confirmed crosslinking through Si–O–polymer interactions, which resulted in reduced hydrophilicity, as evidenced by a contact angle of 55° compared to 40° for unmodified fibers. X-ray diffraction (XRD) analysis revealed the transformation of Fe₂O₃ to FeOOH, corresponding to JCPDS-29–0713 and JPDS-33–0664. This method provides dual functionality—magnetic guidance and adjustable wettability—suitable for targeted biomedical applications, such as tissue scaffolds.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"11 ","pages":"Article 101668"},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146079236","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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