Pub Date : 2024-10-29DOI: 10.1016/j.mseb.2024.117768
Gitanjali Mishra, Ashutosh Tiwari
This paper discusses the growth and characterization of Nd-doped BaSnO3 (NDBSO) thin films on sapphire (0001) substrates using the Pulsed Laser Deposition (PLD) technique. NDBSO is a promising material for transparent sensors and electronics due to its wide bandgap. The study demonstrates a well-aligned heteroepitaxial growth of NDBSO on sapphire (0001) with a lattice parameter of 0.4226 nm. The results revealed high reliability and minimal aging effects under various environmental conditions. The utilization of PLD offered precise control over film thickness, enabling the fabrication of high-quality ultra-thin films approximately 500 nm in thickness through the ablation process involving 10,000 laser pulses. Key performance indicators (KPIs) include high transparency (>90 % for wavelengths above 500 nm), reproducibility, and structural stability.
{"title":"Pulsed laser deposition of Nd-doped BaSnO3 thin films on c-plane sapphire substrate for transparent sensors","authors":"Gitanjali Mishra, Ashutosh Tiwari","doi":"10.1016/j.mseb.2024.117768","DOIUrl":"10.1016/j.mseb.2024.117768","url":null,"abstract":"<div><div>This paper discusses the growth and characterization of Nd-doped BaSnO<sub>3</sub> (NDBSO) thin films on sapphire (0001) substrates using the Pulsed Laser Deposition (PLD) technique. NDBSO is a promising material for transparent sensors and electronics due to its wide bandgap. The study demonstrates a well-aligned heteroepitaxial growth of NDBSO on sapphire (0001) with a lattice parameter of 0.4226 nm. The results revealed high reliability and minimal aging effects under various environmental conditions. The utilization of PLD offered precise control over film thickness, enabling the fabrication of high-quality ultra-thin films approximately 500 nm in thickness through the ablation process involving 10,000 laser pulses. Key performance indicators (KPIs) include high transparency (>90 % for wavelengths above 500 nm), reproducibility, and structural stability.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117768"},"PeriodicalIF":3.9,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538075","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 : 2024-10-28DOI: 10.1016/j.mseb.2024.117777
S. Murugan, M. Ashokkumar
In this study, silver (Ag) and copper (Cu) dual-doped zinc sulfide (ZnS) photocatalysts were synthesized using the coprecipitation method and tested for their efficiency in degrading dyes such as Acid Orange, Auramine O, Methylene Blue, Methyl Orange, Rhodamine B, and Crystal Violet under sunlight. X-ray diffraction (XRD) confirmed a cubic structure with high phase purity, and Ag doping reduced the crystalline size. Transmission electron microscopy (TEM) revealed crumpled quantum dots (QDs), while ultraviolet–visible (UV–Vis) spectroscopy showed bandgaps of 3.73, 3.71, and 3.63 eV for Cu, (Cu, 1 % Ag), and (Cu, 2 % Ag)-doped ZnS QDs, respectively. The inclusion of Ag reduced the bandgap, enhancing photocatalytic performance. The degradation efficiencies were 93.09 %, 99.49 %, and 99.95 % for Cu, (Cu, 1 % Ag), and (Cu, 2 % Ag)-doped ZnS QDs, respectively, after 180 min. Dual doping significantly improved performance over Cu-doped QDs, with a rate constant of 49.99 × 10−3 min−1 and an R2 value of 0.9374. Ag ions further enhanced activity by reducing electron-hole recombination. Additionally, polyvinyl alcohol (PVA)-embedded ZCA3 QDs demonstrated high reusability over five cycles. The study also investigated the effects of dosage, dye variation, and hemolytic activity.
{"title":"Optimized photocatalytic degradation of dyes using Ag and Cu-Doped ZnS quantum dots embedded in PVA membranes","authors":"S. Murugan, M. Ashokkumar","doi":"10.1016/j.mseb.2024.117777","DOIUrl":"10.1016/j.mseb.2024.117777","url":null,"abstract":"<div><div>In this study, silver (Ag) and copper (Cu) dual-doped zinc sulfide (ZnS) photocatalysts were synthesized using the coprecipitation method and tested for their efficiency in degrading dyes such as Acid Orange, Auramine O, Methylene Blue, Methyl Orange, Rhodamine B, and Crystal Violet under sunlight. X-ray diffraction (XRD) confirmed a cubic structure with high phase purity, and Ag doping reduced the crystalline size. Transmission electron microscopy (TEM) revealed crumpled quantum dots (QDs), while ultraviolet–visible (UV–Vis) spectroscopy showed bandgaps of 3.73, 3.71, and 3.63 eV for Cu, (Cu, 1 % Ag), and (Cu, 2 % Ag)-doped ZnS QDs, respectively. The inclusion of Ag reduced the bandgap, enhancing photocatalytic performance. The degradation efficiencies were 93.09 %, 99.49 %, and 99.95 % for Cu, (Cu, 1 % Ag), and (Cu, 2 % Ag)-doped ZnS QDs, respectively, after 180 min. Dual doping significantly improved performance over Cu-doped QDs, with a rate constant of 49.99 × 10<sup>−3</sup> min<sup>−1</sup> and an R<sup>2</sup> value of 0.9374. Ag ions further enhanced activity by reducing electron-hole recombination. Additionally, polyvinyl alcohol (PVA)-embedded ZCA3 QDs demonstrated high reusability over five cycles. The study also investigated the effects of dosage, dye variation, and hemolytic activity.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117777"},"PeriodicalIF":3.9,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528484","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 : 2024-10-26DOI: 10.1016/j.mseb.2024.117759
Yoran De Vos , Arie J.J. Koekkoek , Giuseppe Bonura , Serena Todaro , Monika Kus , Alexander Vansant , Gijsbert Gerritsen , Catia Cannilla , Hendrikus C.L. Abbenhuis , Vesna Middelkoop
This work reports the development, optimization and subsequent scale-up of 3D printed catalyst structures for direct CO2 hydrogenation to DME. To ensure compatibility between the used Cu-ZnO-Al2O3 (CZA) catalyst and the acid form H-ZSM-5 co-catalyst, a new binary polymeric binder system, based on polyethyleneimine (PEI) and methylcellulose (MC), was selected. The 3D-printing paste composition was optimized through 2 successive Design of Experiments (DOE) to achieve (i) good textural properties that ensure catalytic activity and (ii) improved mechanical integrity and printability. The DOE unveiled the critical link between the pH of the printing paste and the preservation of textural properties and catalytical activity of the printed catalysts. Finally, the successful scale-up of the 3D-printed catalyst structures was demonstrated using the optimized printing paste, and the performance of the final catalysts was evaluated by catalytic testing and accompanied X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) analyses.
{"title":"3D printed CuZnAl2O3-based catalysts for direct CO2 hydrogenation to DME, optimization and scale up","authors":"Yoran De Vos , Arie J.J. Koekkoek , Giuseppe Bonura , Serena Todaro , Monika Kus , Alexander Vansant , Gijsbert Gerritsen , Catia Cannilla , Hendrikus C.L. Abbenhuis , Vesna Middelkoop","doi":"10.1016/j.mseb.2024.117759","DOIUrl":"10.1016/j.mseb.2024.117759","url":null,"abstract":"<div><div>This work reports the development, optimization and subsequent scale-up of 3D printed catalyst structures for direct CO<sub>2</sub> hydrogenation to DME. To ensure compatibility between the used Cu-ZnO-Al<sub>2</sub>O<sub>3</sub> <!-->(CZA) catalyst and the acid form H-ZSM-5 co-catalyst, a new binary polymeric binder system, based on polyethyleneimine (PEI) and methylcellulose (MC), was selected. The 3D-printing paste composition was optimized through 2 successive Design of Experiments (DOE) to achieve (i) good textural properties that ensure catalytic activity and (ii) improved mechanical integrity and printability. The DOE unveiled the critical link between the pH of the printing paste and the<!--> <!-->preservation of<!--> <!-->textural properties and<!--> <!-->catalytical activity<!--> <!-->of the<!--> <!-->printed catalysts. Finally, the successful scale-up of the 3D-printed catalyst structures was demonstrated using the optimized printing paste, and the performance of the final catalysts was evaluated by catalytic testing and<!--> <!-->accompanied X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) analyses.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117759"},"PeriodicalIF":3.9,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528239","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 : 2024-10-25DOI: 10.1016/j.mseb.2024.117762
Eze A. Adindu , Abel I. Ushie , Bassey O. Ekpong , Daniel G. Malu , Daniel C. Agurokpon , Faith O. Akor
The inability of the human body to completely metabolize drugs and improper disposal of pharmaceutical products in the environment has resulted in pollution, especially in water bodies, and has been identified as a critical challenge to humans, microbial life, and aquatic ecosystems. This study aims to investigate gemfibrozil pollutant and evaluate the photoinduction potential of selenium (Se)- and tellurium (Te)-engineered covalent organic frameworks (COFs) using the DFT/RPBE1PBE functional with a Gen basis set. Geometric analysis of the nanostructure revealed that upon the adsorption of the gemfibrozil pollutant, the bond lengths between atoms associated with B33-Se102, B9-O3, C16-C25, and B33-Te102 slightly changed as the bond length increased. Significantly, the HOMO-LUMO energy gap decreases after adsorption of the pollutant on the three modified adsorbents; Te-COF, Se-COF, and Se-Te-COF, with values of 4.4314, 4.9960, and 4.4436 eV, respectively. These values decreased to 3.9231 eV, 3.8986 eV, and 1.2368 eV for GBZ-Te-COF, GBZ-Se-COF, and GBZ-Se-Te-COF respectively. The results from adsorption studies showed physisorption, with adsorption energy values > 0 of 14.886 eV, 14.849 eV, and 14.231 eV corresponding to GBZ-Se-COF, GBZ_Te-COF, and GBZ_Se-Te-COF, respectively; however, these surfaces showed very short recovery times corresponding to 2.47 × 10-15, 2.50 × 10-15, and 3.21 × 10-15. However, a photoinduced phenomenon was observed after interactions between gemfibrozil and the engineered covalent organic framework. The strength of the absorbance among the systems decreases in the order of GBZ-Se-COF > GBZ_Te-COF > GBZ_Se-Te-COF > GBZ_Se-Te-COF, with a corresponding first excitation energy of 4.004, 3.737 and 0.654 eV. This analysis revealed that the COF engineered through mono-doping has a greater ability to enhance photoinduction and photolysis.
{"title":"In silico engineering study of selenium (Se) and tellurium (Te) mono-doping and Se-Te co-doping of a covalent organic framework as a sensor for gemfibrozil pharmaceutical pollutants","authors":"Eze A. Adindu , Abel I. Ushie , Bassey O. Ekpong , Daniel G. Malu , Daniel C. Agurokpon , Faith O. Akor","doi":"10.1016/j.mseb.2024.117762","DOIUrl":"10.1016/j.mseb.2024.117762","url":null,"abstract":"<div><div>The inability of the human body to completely metabolize drugs and improper disposal of<!--> <!-->pharmaceutical products in the environment has resulted in pollution, especially in<!--> <!-->water bodies, and has been identified as a critical challenge to humans, microbial life, and aquatic ecosystems. This study aims to investigate gemfibrozil pollutant and evaluate the photoinduction potential of selenium (Se)- and tellurium (Te)-engineered covalent organic frameworks (COFs) using the DFT/RPBE1PBE functional with a Gen basis set. Geometric analysis of the nanostructure revealed that upon the adsorption of the gemfibrozil pollutant, the bond lengths between atoms associated with B33-Se102, B9-O3, C16-C25, and B33-Te102 slightly changed as the bond length increased. Significantly, the HOMO-LUMO energy gap decreases after adsorption of the pollutant on the three modified adsorbents; Te-COF, Se-COF, and Se-Te-COF, with values of 4.4314, 4.9960, and 4.4436 eV, respectively. These values decreased to 3.9231 eV, 3.8986 eV, and 1.2368 eV for GBZ-Te-COF, GBZ-Se-COF, and GBZ-Se-Te-COF respectively. The results from adsorption studies showed physisorption, with adsorption energy values > 0 of 14.886 eV, 14.849 eV, and 14.231 eV corresponding to GBZ-Se-COF, GBZ_Te-COF, and GBZ_Se-Te-COF, respectively; however, these surfaces showed very short recovery times corresponding to 2.47 × 10<sup>-15</sup>, 2.50 × 10<sup>-15</sup>, and 3.21 × 10<sup>-15</sup>. However, a photoinduced phenomenon was observed after interactions between gemfibrozil and the engineered covalent organic framework. The strength of the absorbance among the systems decreases in the order of GBZ-Se-COF > GBZ_Te-COF > GBZ_Se-Te-COF > GBZ_Se-Te-COF, with a corresponding first excitation energy of 4.004, 3.737 and 0.654 eV. This analysis revealed that the COF engineered through mono-doping has a greater ability to enhance photoinduction and photolysis.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117762"},"PeriodicalIF":3.9,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528330","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 : 2024-10-25DOI: 10.1016/j.mseb.2024.117767
Tianhe Gao , Jingwei Yuan , Wanyin Xu , Ronghui Hao , Wenkang Miao , Zihan Wang , Yubing Dong , Wenxin Lin , Qianqian Li
Transition based metal–organic frameworks (MOFs) demonstrate significant potential for thermal catalysis owing to their high density of active metal sites, and tunable porous structure. Especially understanding the correlation between the three-dimensional (3D) structure and its catalytic performance is pivotal for designing highly efficient, stable, and selectively active thermal catalysts. Here, based on MIL-53(Fe) and its derivatives heat-treated at varying temperatures, we comprehensively investigated their 3D structures and properties using 3D reconstruction techniques in transmission electron microscopy. The specimen, pyrolysis at 800 °C in air, exhibits optimal performance used as the catalyst for CO2 hydrogenation, achieving 21.4 % CO2 conversion and 100 % CO selectivity. Additionally, it presents exceptionally high activity and thermal stability after reaction for 120 h. Detailed insights into the morphology, composition, pore, and surface crystallography of an individual MIL-53(Fe) and its pyrolysis product particle, respectively, are provided by 3D reconstruction at nanoscale to correlate these structural features with their catalytic performance. This research contributes valuable experimental data and theoretical insights for the structural modulation and performance enhancement of MOF-based catalysts.
{"title":"MIL-53(Fe)-based catalysts: CO2 hydrogenation performance and three-dimensional structures","authors":"Tianhe Gao , Jingwei Yuan , Wanyin Xu , Ronghui Hao , Wenkang Miao , Zihan Wang , Yubing Dong , Wenxin Lin , Qianqian Li","doi":"10.1016/j.mseb.2024.117767","DOIUrl":"10.1016/j.mseb.2024.117767","url":null,"abstract":"<div><div>Transition based metal–organic frameworks (MOFs) demonstrate significant potential for thermal catalysis owing to their high density of active metal sites, and tunable porous structure. Especially understanding the correlation between the three-dimensional (3D) structure and its catalytic performance is pivotal for designing highly efficient, stable, and selectively active thermal catalysts. Here, based on MIL-53(Fe) and its derivatives heat-treated at varying temperatures, we comprehensively investigated their 3D structures and properties using 3D reconstruction techniques in transmission electron microscopy. The specimen, pyrolysis at 800 °C in air, exhibits optimal performance used as the catalyst for CO<sub>2</sub> hydrogenation, achieving 21.4 % CO<sub>2</sub> conversion and 100 % CO selectivity. Additionally, it presents exceptionally high activity and thermal stability after reaction for 120 h. Detailed insights into the morphology, composition, pore, and surface crystallography of an individual MIL-53(Fe) and its pyrolysis product particle, respectively, are provided by 3D reconstruction at nanoscale to correlate these structural features with their catalytic performance. This research contributes valuable experimental data and theoretical insights for the structural modulation and performance enhancement of MOF-based catalysts.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117767"},"PeriodicalIF":3.9,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528238","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–sulfur batteries (LSBs), with their ultra-high theoretical energy density (2600 Wh kg−1), are considered one of the most attractive high-energy batteries. However, the “shuttling effect” of polysulfides and the uncontrolled growth of lithium (Li) dendrites pose significant challenges to the practical implementation of LSBs. Herein, a lightweight and eco-friendly diethoxydimethylsilane (DEMS) is chosen as a multi-functional solvent for LSBs. The low polarity of DEMS promotes the “solid–solid” conversion of sulfurized polyacrylonitrile (SPAN) during charge–discharge processes, eliminating the shuttle effect of polysulfides. Moreover, the DEMS-based electrolyte enables highly reversible Li plating/stripping processes across a wide temperature range spanning from −20 to 60 °C. As a result, the Li/SPAN batteries using the DEMS electrolyte exhibit excellent cyclic stability at 0.2 C with retainable capacities of 524.4 mAh/g after 200 cycles, 598.8 mAh/g after 100 cycles, and 318.6 mAh/g after 50 cycles at 26, 60 and −20 °C, respectively. This study aims to identify low-cost and highly stable electrolytes through solvent screening to enhance the electrochemical performance of LSBs.
{"title":"Tailoring eco-friendly siloxane-based electrolytes for high-performance lithium–sulfur batteries","authors":"Ying Tian , Manxian Li , Huanhuan Chen , Kai Zhu , Jing Long, Weixiang Xie, Xiaochuan Chen, Xiaoyan Li, Junxiong Wu, Yuming Chen","doi":"10.1016/j.mseb.2024.117773","DOIUrl":"10.1016/j.mseb.2024.117773","url":null,"abstract":"<div><div>Lithium–sulfur batteries (LSBs), with their ultra-high theoretical energy density (2600 Wh kg<sup>−1</sup>), are considered one of the most attractive high-energy batteries. However, the “shuttling effect” of polysulfides and the uncontrolled growth of lithium (Li) dendrites pose significant challenges to the practical implementation of LSBs. Herein, a lightweight and eco-friendly diethoxydimethylsilane (DEMS) is chosen as a multi-functional solvent for LSBs. The low polarity of DEMS promotes the “solid–solid” conversion of sulfurized polyacrylonitrile (SPAN) during charge–discharge processes, eliminating the shuttle effect of polysulfides. Moreover, the DEMS-based electrolyte enables highly reversible Li plating/stripping processes across a wide temperature range spanning from −20 to 60 °C. As a result, the Li/SPAN batteries using the DEMS electrolyte exhibit excellent cyclic stability at 0.2 C with retainable capacities of 524.4 mAh/g after 200 cycles, 598.8 mAh/g after 100 cycles, and 318.6 mAh/g after 50 cycles at 26, 60 and −20 °C, respectively. This study aims to identify low-cost and highly stable electrolytes through solvent screening to enhance the electrochemical performance of LSBs.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117773"},"PeriodicalIF":3.9,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528327","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 study explores the development and characterization of eco-friendly Magnesium Oxide (MgO) nanofiller reinforced hydroxypropyl methylcellulose (HPMC) polymer composites for eco-friendly electronic applications. The prepared nanocomposites are biodegradable and flexible without any additional plasticizer. MgO nanoparticles were synthesized using the solution combustion method and incorporated into HPMC matrix through solution casting method. The structural, mechanical, optical, AC and DC electrical, and degradation properties of the prepared nanocomposites were systematically investigated. X-ray diffraction (XRD) confirmed the successful integration of MgO nanoparticles into the HPMC matrix, with noticeable interactions affecting the crystallinity. Mechanical testing revealed an optimal MgO concentration of 0.2 g, which provided the best balance of strength and ductility, while higher concentrations led to increased brittleness. UV–Vis spectroscopy results evident that the energy gap of nanocomposites can be tuneable with MgO incorporation. The photoresponsivity study indicated that higher MgO content reduce the photocurrent due to agglomeration and defect states. Dielectric studies showed a typical frequency-dependent behaviour, with enhanced dielectric constants at lower frequencies attributed to interfacial polarization. However, increasing MgO content decreased the dielectric constant and loss due to reduced polymer chain mobility and increased resistive pathways. Current-Voltage (I-V) characteristics demonstrated a non-ohmic conduction behaviour with Poole-Frenkel emission identified as the predominant conduction mechanism. Degradation tests in both tap water and soil, demonstrated that the MgO incorporation significantly slowed the degradation rate of the composites, enhancing their durability. These findings suggest that MgO-HPMC nanocomposites hold promise for sustainable and flexible eco-friendly electronic applications.
{"title":"MgO nanofiller reinforced biodegradable, flexible, tunable energy gap HPMC polymer composites for eco-friendly electronic applications","authors":"Vinayakprasanna N Hegde , TM. Pradeep , VV. Manju , NC. Sandhya","doi":"10.1016/j.mseb.2024.117775","DOIUrl":"10.1016/j.mseb.2024.117775","url":null,"abstract":"<div><div>This study explores the development and characterization of eco-friendly Magnesium Oxide (MgO) nanofiller reinforced hydroxypropyl methylcellulose (HPMC) polymer composites for eco-friendly electronic applications. The prepared nanocomposites are biodegradable and flexible without any additional plasticizer. MgO nanoparticles were synthesized using the solution combustion method and incorporated into HPMC matrix through solution casting method. The structural, mechanical, optical, AC and DC electrical, and degradation properties of the prepared nanocomposites were systematically investigated. X-ray diffraction (XRD) confirmed the successful integration of MgO nanoparticles into the HPMC matrix, with noticeable interactions affecting the crystallinity. Mechanical testing revealed an optimal MgO concentration of 0.2 g, which provided the best balance of strength and ductility, while higher concentrations led to increased brittleness. UV–Vis spectroscopy results evident that the energy gap of nanocomposites can be tuneable with MgO incorporation. The photoresponsivity study indicated that higher MgO content reduce the photocurrent due to agglomeration and defect states. Dielectric studies showed a typical frequency-dependent behaviour, with enhanced dielectric constants at lower frequencies attributed to interfacial polarization. However, increasing MgO content decreased the dielectric constant and loss due to reduced polymer chain mobility and increased resistive pathways. Current-Voltage (I-V) characteristics demonstrated a non-ohmic conduction behaviour with Poole-Frenkel emission identified as the predominant conduction mechanism. Degradation tests in both tap water and soil, demonstrated that the MgO incorporation significantly slowed the degradation rate of the composites, enhancing their durability. These findings suggest that MgO-HPMC nanocomposites hold promise for sustainable and flexible eco-friendly electronic applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117775"},"PeriodicalIF":3.9,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528329","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 : 2024-10-23DOI: 10.1016/j.mseb.2024.117772
Wasif Tanveer , Syed Adeel Abbas , N.A. Noor , Bisma Ali , Sohail Mumtaz , Ihab Mohamed Moussa
The intrinsic spin of electrons has revolutionized the various aspects in the field of electronics, like data storage and quantum computing. Magnetic, structural, mechanical, transport and thermoelectric aspects of the Li2Mo(Cl/Br)6 double perovskites have been examined using the Wein2k and BoltzTraP code. These compounds having cubic structure with negative enthalpy of formation confirms their thermodynamic stability. The energy versus volume optimization for both ferromagnetic (FM) and antiferromagnetic phases (AFM) indicate AFM state due to greater release of energy in this configuration. Double exchange model p-d hybridization for partial density of states (PDOS) is investigated in band structures and half-metallicity feature is reported. The spin–orbit interaction with hybridization in d states of Mo and integral magnetic moment reveals strong spin polarization. The thermoelectric features (Seebeck coefficient, power factor, and figure of merit, electrical and thermal conductivities) have also been evaluated for utilization of these compounds in spintronics appliances.
电子的固有自旋给电子领域的各个方面带来了革命性的变化，如数据存储和量子计算。我们使用 Wein2k 和 BoltzTraP 代码对 Li2Mo(Cl/Br)6 双包晶石的磁性、结构、机械、传输和热电方面进行了研究。这些化合物具有负形成焓的立方结构，证实了其热力学稳定性。铁磁相（FM）和反铁磁相（AFM）的能量与体积优化结果表明，AFM 状态在这种构型下释放的能量更大。在能带结构中研究了部分态密度（PDOS）的双交换模型 p-d 杂化，并报告了半金属性特征。自旋轨道相互作用与 Mo 的 d 态杂化和积分磁矩揭示了强烈的自旋极化。此外，还评估了这些化合物的热电特性（塞贝克系数、功率因数、优点系数、电导率和热导率），以便在自旋电子设备中加以利用。
{"title":"Exploration of lead free half-metallic double perovskites Li2Mo(Cl/Br)6 for spintronic device: DFT-calculations","authors":"Wasif Tanveer , Syed Adeel Abbas , N.A. Noor , Bisma Ali , Sohail Mumtaz , Ihab Mohamed Moussa","doi":"10.1016/j.mseb.2024.117772","DOIUrl":"10.1016/j.mseb.2024.117772","url":null,"abstract":"<div><div>The intrinsic spin of electrons has revolutionized the various aspects in the field of electronics, like data storage and quantum computing. Magnetic, structural, mechanical, transport and thermoelectric aspects of the Li<sub>2</sub>Mo(Cl/Br)<sub>6</sub> double perovskites have been examined using the Wein2k and BoltzTraP code. These compounds having cubic structure with negative enthalpy of formation confirms their thermodynamic stability. The energy versus volume optimization for both ferromagnetic (FM) and antiferromagnetic phases (AFM) indicate AFM state due to greater release of energy in this configuration. Double exchange model p-d hybridization for partial density of states (PDOS) is investigated in band structures and half-metallicity feature is reported. The spin–orbit interaction with hybridization in d states of Mo and integral magnetic moment reveals strong spin polarization. The thermoelectric features (Seebeck coefficient, power factor, and figure of merit, electrical and thermal conductivities) have also been evaluated for utilization of these compounds in spintronics appliances.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117772"},"PeriodicalIF":3.9,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528325","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 : 2024-10-23DOI: 10.1016/j.mseb.2024.117770
Maria Nazeer , Sawera Akbar , Sonia Zulfiqar , Norah Alomayrah , M. Naziruddin Khan , M.S. Al-Buriahi , Muhammad Farooq Warsi , Mehwish Akhtar
Synthetic dyes are illegally used in foodstuffs and cause serious health issues in humans due to their carcinogenic nature. To avoid serious health issues, it is compulsory to detect and remove even the minute quantities of these harmful dyes in foodstuffs. Electrochemical sensors are accredited as an efficient and promising platform for the robust and sensitive determination of food toxins in various foodstuffs. Therefore, an efficient, facile, and competent sensor is devised for the simultaneous detection of Orange II (OR II) and Rhodamine B (RhB) supported by rGO and CuO nanoparticles. The synergism between rGO’s immense surface area and the adsorption properties of CuO enhances selectivity and response time for the detection of OR II and RhB. This work elaborated the synthesis, characterization, and electrochemical behavior of CuO@3DGr electrode towards simultaneous sensing of OR II and RhB. Physicochemical techniques were utilized to validate the fabrication of targeted material. On the other hand, the electrochemical features of the developed sensor were characterized by cyclic voltammetry (CV) and electron impedance spectroscopy (EIS). Differential pulse voltammetry technique was employed to detect simultaneously Orange II and Rhodamine B on the surface of bare (GCE), GO/GCE, CuO/GCE, and CuO@3DGr/GCE. Multi-analyte detection is possible with DPV, a sensitive electrochemical method. Based on each toxin’s specific electrochemical signature, the sensor may generate separate peaks by delivering a sequence of potential pulses and detecting the ensuing current. The parameters which influence the performance of the modified sensor were carefully evaluated. Under ambient conditions, the developed sensor exhibited excellent electrocatalytic activity in oxidation at 0.67 V of OR II and 0.96 V RhB with a low limit of detection 08 nM for OR II and 4.5 nM for RhB in Britton- Robinson buffer (BRB pH:7). The described methodology allowed a robust and fast analysis of food toxins in different foodstuff establishing this sensor as a novel tool for detecting food toxins. Tap water was used to analyze the practical applicability of developed electrode material and suitable results were achieved. These results showed that the as-synthesized novel electrochemical sensor has the potential for ultrasensitive determination and detection of toxins in different foodstuffs.
合成染料被非法用于食品中，由于其致癌特性，会给人类带来严重的健康问题。为了避免严重的健康问题，必须检测和清除食品中的微量有害染料。电化学传感器被认为是一种高效、有前途的平台，可用于稳健、灵敏地测定各种食品中的食品毒素。因此，在 rGO 和 CuO 纳米粒子的支持下，我们设计了一种高效、简便、功能强大的传感器，用于同时检测橘红 II（OR II）和罗丹明 B（RhB）。rGO 的巨大表面积与 CuO 的吸附特性之间的协同作用提高了检测 OR II 和 RhB 的选择性和响应时间。本研究阐述了 CuO@3DGr 电极的合成、表征和电化学行为，用于同时检测 OR II 和 RhB。利用物理化学技术验证了目标材料的制备。另一方面，通过循环伏安法（CV）和电子阻抗光谱法（EIS）对所开发传感器的电化学特征进行了表征。利用差分脉冲伏安技术同时检测了裸 GCE、GO/GCE、CuO/GCE 和 CuO@3DGr/GCE 表面的橙色二和罗丹明 B。使用 DPV 这种灵敏的电化学方法可以检测多种分析物。根据每种毒素的特定电化学特征，传感器可通过提供一系列电位脉冲并检测随之产生的电流来产生单独的峰值。对影响改良传感器性能的参数进行了仔细评估。在环境条件下，所开发的传感器在氧化 0.67 V OR II 和 0.96 V RhB 时表现出卓越的电催化活性，在布里顿-罗宾逊缓冲液（BRB pH:7）中，OR II 和 RhB 的检测限分别为 08 nM 和 4.5 nM。所描述的方法可对不同食品中的食品毒素进行可靠、快速的分析，使该传感器成为检测食品毒素的新型工具。自来水被用来分析所开发电极材料的实际适用性，并取得了合适的结果。这些结果表明，所合成的新型电化学传感器具有超灵敏测定和检测不同食品中毒素的潜力。
{"title":"CuO@3D graphene modified glassy carbon electrode towards the detection of Orange II and Rhodamine B","authors":"Maria Nazeer , Sawera Akbar , Sonia Zulfiqar , Norah Alomayrah , M. Naziruddin Khan , M.S. Al-Buriahi , Muhammad Farooq Warsi , Mehwish Akhtar","doi":"10.1016/j.mseb.2024.117770","DOIUrl":"10.1016/j.mseb.2024.117770","url":null,"abstract":"<div><div>Synthetic dyes are illegally used in foodstuffs and cause serious health issues in humans due to their carcinogenic nature. To avoid serious health issues, it is compulsory to detect and remove even the minute quantities of these harmful dyes in foodstuffs. Electrochemical sensors are accredited as an efficient and promising platform for the robust and sensitive determination of food toxins in various foodstuffs. Therefore, an efficient, facile, and competent sensor is devised for the simultaneous detection of Orange II (OR II) and Rhodamine B (RhB) supported by rGO and CuO nanoparticles. The synergism between rGO’s immense surface area and the adsorption properties of CuO enhances selectivity and response time for the detection of OR II and RhB. This work elaborated the synthesis, characterization, and electrochemical behavior of CuO@3DGr electrode towards simultaneous sensing of OR II and RhB. Physicochemical techniques were utilized to validate the fabrication of targeted material. On the other hand, the electrochemical features of the developed sensor were characterized by cyclic voltammetry (CV) and electron impedance spectroscopy (EIS). Differential pulse voltammetry technique was employed to detect simultaneously Orange II and Rhodamine B on the surface of bare (GCE), GO/GCE, CuO/GCE, and CuO@3DGr/GCE. Multi-analyte detection is possible with DPV, a sensitive electrochemical method. Based on each toxin’s specific electrochemical signature, the sensor may generate separate peaks by delivering a sequence of potential pulses and detecting the ensuing current. The parameters which influence the performance of the modified sensor were carefully evaluated. Under ambient conditions, the developed sensor exhibited excellent electrocatalytic activity in oxidation at 0.67 V of OR II and 0.96 V RhB with a low limit of detection 08 nM for OR II and 4.5 nM for RhB in Britton- Robinson buffer (BRB pH:7). The described methodology allowed a robust and fast analysis of food toxins in different foodstuff establishing this sensor as a novel tool for detecting food toxins. Tap water was used to analyze the practical applicability of developed electrode material and suitable results were achieved. These results showed that the as-synthesized novel electrochemical sensor has the potential for ultrasensitive determination and detection of toxins in different foodstuffs.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117770"},"PeriodicalIF":3.9,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528328","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 : 2024-10-23DOI: 10.1016/j.mseb.2024.117764
Himadree Sarmah , Karanika Sonowal , Unnati Bora , Bitupon Boruah , Dipjyoti Bora , Ankur Gogoi , Jayanta K. Sarmah , Utpal J. Mahanta , Lakshi Saikia , Madhuryya Deka
This work focuses on synthesizing and assessing guar gum (GG)-based cross-linked nanocomposite polymer gel electrolytes (NPGEs) as an innovative separator for environmentally friendly energy storage purposes. The synthesis procedure involves cross-linking Octadecyltrichlorosilane (OTS) functionalized SiO2 nanofibers (f-SiO2) with GG, followed by uptake of liquid electrolytes. Maximum ionic conductivity of 6.7 × 10-3 Scm−1 is achieved at 5 wt% f-SiO2. XRD and XPS investigations show that nanofibers create conducting channels in NPGEs, improving ionic conductivity. The cross-linked NPGEs exhibit an outstanding electrochemical potential window of 4.8 V, enhanced lithium ion transference number (t+) of 0.58, and enhanced compatibility at the interface with metal electrodes. The initial discharge capacity at 0.5C was measured to be 134 mAh g−1 for Li|NPGE|LiFePO4 cell in the first cycle and 125 mAh g−1 after 50 cycles. The synthesized cross-linked NPGEs also show enhanced thermal and mechanical properties, as investigated by TGA and UTM analyses.
{"title":"Surface functionalized silica nanofiber cross-linked guar gum as novel nanocomposite polymer gel electrolytes towards green energy storage solutions","authors":"Himadree Sarmah , Karanika Sonowal , Unnati Bora , Bitupon Boruah , Dipjyoti Bora , Ankur Gogoi , Jayanta K. Sarmah , Utpal J. Mahanta , Lakshi Saikia , Madhuryya Deka","doi":"10.1016/j.mseb.2024.117764","DOIUrl":"10.1016/j.mseb.2024.117764","url":null,"abstract":"<div><div>This work focuses on synthesizing and assessing guar gum (GG)-based cross-linked nanocomposite polymer gel electrolytes (NPGEs) as an innovative separator for environmentally friendly energy storage purposes. The synthesis procedure involves cross-linking Octadecyltrichlorosilane (OTS) functionalized SiO<sub>2</sub> nanofibers (<em>f</em>-SiO<sub>2</sub>) with GG, followed by uptake of liquid electrolytes. Maximum ionic conductivity of 6.7 × 10<sup>-3</sup> Scm<sup>−1</sup> is achieved at 5 wt% <em>f</em>-SiO<sub>2</sub>. XRD and XPS investigations show that nanofibers create conducting channels in NPGEs, improving ionic conductivity. The cross-linked NPGEs exhibit an outstanding electrochemical potential window of 4.8 V, enhanced lithium ion transference number (<em>t</em><sub>+</sub>) of 0.58, and enhanced compatibility at the interface with metal electrodes. The initial discharge capacity at 0.5C was measured to be 134 mAh g<sup>−1</sup> for Li|NPGE|LiFePO<sub>4</sub> cell in the first cycle and 125 mAh g<sup>−1</sup> after 50 cycles. The synthesized cross-linked NPGEs also show enhanced thermal and mechanical properties, as investigated by TGA and UTM analyses.</div><div>.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117764"},"PeriodicalIF":3.9,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528326","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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