Pub Date : 2024-11-26DOI: 10.1016/j.flatc.2024.100782
Ranlu Miao , Qixun Xia , Libo Wang , Qianku Hu , Nanasaheb M. Shinde , Aiguo Zhou
MXenes, a family of two-dimensional materials, have garnered significant attention due to their excellent electrical conductivity, large specific surface area, and simple processing methods. Their discovery has expanded applications in fields such as medical treatment and energy storage. Notably, MXenes are highly effective in electromagnetic interference (EMI) shielding, capable of reflecting and absorbing electromagnetic waves due to their layered structure. This property allows for the efficient dissipation of electromagnetic radiation, making MXenes a strong candidate for EMI solutions. The production of MXenes relies heavily on various etching methods, which are crucial for tailoring their properties for specific applications. Furthermore, the development of MXene composites has enhanced their performance in EMI shielding and other uses. Overall, the ongoing research into MXenes and their composites highlights their potential to address the challenges posed by increasing electromagnetic radiation exposure in our daily lives.
{"title":"Insight on electronic and thermal behaviors of conductive MXene-based composite material and their electromagnetic shielding Applications: A Review","authors":"Ranlu Miao , Qixun Xia , Libo Wang , Qianku Hu , Nanasaheb M. Shinde , Aiguo Zhou","doi":"10.1016/j.flatc.2024.100782","DOIUrl":"10.1016/j.flatc.2024.100782","url":null,"abstract":"<div><div>MXenes, a family of two-dimensional materials, have garnered significant attention due to their excellent electrical conductivity, large specific surface area, and simple processing methods. Their discovery has expanded applications in fields such as medical treatment and energy storage. Notably, MXenes are highly effective in electromagnetic interference (EMI) shielding, capable of reflecting and absorbing electromagnetic waves due to their layered structure. This property allows for the efficient dissipation of electromagnetic radiation, making MXenes a strong candidate for EMI solutions. The production of MXenes relies heavily on various etching methods, which are crucial for tailoring their properties for specific applications. Furthermore, the development of MXene composites has enhanced their performance in EMI shielding and other uses. Overall, the ongoing research into MXenes and their composites highlights their potential to address the challenges posed by increasing electromagnetic radiation exposure in our daily lives.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100782"},"PeriodicalIF":5.9,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142747303","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 : 2024-11-23DOI: 10.1016/j.flatc.2024.100792
Haoyu Yin , Ruixin Jia , Kairui Jiang , Jiahui Li , Hui Zeng , Kaige Sun , Binghui Xu
Tin dioxide (SnO2) based anode material is investigated as an alternative choice to current graphite counterpart for lithium-ion batteries. Effective dispersing SnO2 nanocrystals in a rationally designed carbon matrix with distinctive microstructures is critical for the enhancement of the electrochemical performances. Herein, 1,3,5-benzenetricarboxylic acid (C9H6O6, H3BTC) based 1D metal–organic framework (MOF) material Sn-BTC and tea polyphenol (TP) modified 2D reduced graphene oxide (RGO) samples are firstly prepared, which are further employed to engineer a Sn-BTC/TP-RGO precursor with unique microstructures in a mild hydrothermal condition. Finally, the Sn-BTC/TP-RGO can be directly converted the hierarchical SnO2/C/RGO sample, in which SnO2 nanocrystals are well dispersed by the 1D pyrolytic carbon and 2D RGO skeleton after a thermal treatment. Critical challenges of MOF degradation, inhomogeneous distribution of SnO2 nanocrystals and over reassembly of the RGO layers are well addressed. The SnO2/C/RGO nanocomposite shows superior lithium ion storage behaviors than the controlled samples in half-cell, which has a high specific capacity of 780.03 mAh·g−1 over 200 cycles at a low-density current of 200 mA·g−1, a stable capacity of about 698.27 mAh·g−1 over 1000 cycles at a high-density current of 1000 mA·g−1. Moreover, the full-cell performance and the lithium ion storage mechanism of the SnO2/C/RGO sample are studied.
{"title":"Metal-organic framework on graphene derived hierarchical carbon supported tin dioxide nanocomposite for superior lithium ion storage","authors":"Haoyu Yin , Ruixin Jia , Kairui Jiang , Jiahui Li , Hui Zeng , Kaige Sun , Binghui Xu","doi":"10.1016/j.flatc.2024.100792","DOIUrl":"10.1016/j.flatc.2024.100792","url":null,"abstract":"<div><div>Tin dioxide (SnO<sub>2</sub>) based anode material is investigated as an alternative choice to current graphite counterpart for lithium-ion batteries. Effective dispersing SnO<sub>2</sub> nanocrystals in a rationally designed carbon matrix with distinctive microstructures is critical for the enhancement of the electrochemical performances. Herein, 1,3,5-benzenetricarboxylic acid (C<sub>9</sub>H<sub>6</sub>O<sub>6</sub>, H<sub>3</sub>BTC) based 1D metal–organic framework (MOF) material Sn-BTC and tea polyphenol (TP) modified 2D reduced graphene oxide (RGO) samples are firstly prepared, which are further employed to engineer a Sn-BTC/TP-RGO precursor with unique microstructures in a mild hydrothermal condition. Finally, the Sn-BTC/TP-RGO can be directly converted the hierarchical SnO<sub>2</sub>/C/RGO sample, in which SnO<sub>2</sub> nanocrystals are well dispersed by the 1D pyrolytic carbon and 2D RGO skeleton after a thermal treatment. Critical challenges of MOF degradation, inhomogeneous distribution of SnO<sub>2</sub> nanocrystals and over reassembly of the RGO layers are well addressed. The SnO<sub>2</sub>/C/RGO nanocomposite shows superior lithium ion storage behaviors than the controlled samples in half-cell, which has a high specific capacity of 780.03 mAh·g<sup>−1</sup> over 200 cycles at a low-density current of 200 mA·g<sup>−1</sup>, a stable capacity of about 698.27 mAh·g<sup>−1</sup> over 1000 cycles at a high-density current of 1000 mA·g<sup>−1</sup>. Moreover, the full-cell performance and the lithium ion storage mechanism of the SnO<sub>2</sub>/C/RGO sample are studied.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100792"},"PeriodicalIF":5.9,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698454","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 : 2024-11-19DOI: 10.1016/j.flatc.2024.100781
Aslıhan Anter , Murat Ulusoy , Barış Polat , Mustafa Yıldız , Antonio Di Bartolomeo , Jinshun Bi , Elif Orhan
Lanthanides have significant potential for electronic technologies based on graphene quantum dots (GQDs), as they have unique electronic configurations characterized by 4f electrons. In this context, lanthanum(III) hydroxide nanoparticles (La(OH)3NPs) are used as dopants for polyethyleneimine (PEI)-doped nitrogen (N)-doped graphene quantum dots(PEIGQDsN) in this study. Using a novel green method, the La(OH)3NPs-doped PEIGQDsN nanocomposites are prepared from La(NO)3 in a single step and exploited as an interlayer in a metal/interlayer/semiconductor (MIS) heterojunction with Au and n-Si. Capacitance & conductance-voltage (C-V & G/ω-V) characteristics of the Au/La(OH)3NPs doped PEIGQDsN/n-Si MIS heterojunction have been investigated as a function of frequency in the wide 500 Hz to 3 MHz range from −3 V to 5 V, at 300 K. It has been observed that the structure is highly sensitive to the frequency. In particular, at high frequencies, above 1.5 MHz, the positive capacitance (PC) transforms into a negative capacitance (NC) in forward bias. In addition, impedance measurements at high frequencies were carried out after the measurements in the dark, while the surface of the structure was illuminated at 100 mW/cm2. At the frequencies of 2 MHz and 3 MHz, where inductive behavior was observed, the light refilled the depleted trap levels, catalyzing the transition from NC to PC in forward bias. These findings suggest that the capacitance and conductance of the heterojunction have a remarkable frequency sensitivity, particularly evident at higher frequencies. The outcomes of this study are poised to significantly influence the comprehension of carbon-lanthanides-based electronic technology, and enable the creation of new hybrid functional materials for use in electronic or optoelectronic applications.
{"title":"High-Frequency Negative Capacitance in Graphene Quantum Dots/Lanthanum(III) Hydroxide-based MIS Heterostructure","authors":"Aslıhan Anter , Murat Ulusoy , Barış Polat , Mustafa Yıldız , Antonio Di Bartolomeo , Jinshun Bi , Elif Orhan","doi":"10.1016/j.flatc.2024.100781","DOIUrl":"10.1016/j.flatc.2024.100781","url":null,"abstract":"<div><div>Lanthanides have significant potential for electronic technologies based on graphene quantum dots (GQDs), as they have unique electronic configurations characterized by 4f electrons. In this context, lanthanum(III) hydroxide nanoparticles (La(OH)<sub>3</sub>NPs) are used as dopants for polyethyleneimine (PEI)-doped nitrogen (N)-doped graphene quantum dots(<sup>PEI</sup>GQDs<sup>N</sup>) in this study. Using a novel green method, the <em>La(OH)<sub>3</sub>NPs-doped <sup>PEI</sup>GQDs<sup>N</sup></em> nanocomposites are prepared from La(NO)<sub>3</sub> in a single step and exploited as an interlayer in a metal/interlayer/semiconductor (MIS) heterojunction with Au and n-Si. Capacitance & conductance-voltage (C-V & G/ω-V) characteristics of the Au/La(OH)<sub>3</sub>NPs doped <sup>PEI</sup>GQDs<sup>N</sup>/n-Si MIS heterojunction have been investigated as a function of frequency in the wide 500 Hz to 3 MHz range from −3 V to 5 V, at 300 K. It has been observed that the structure is highly sensitive to the frequency. In particular, at high frequencies, above 1.5 MHz, the positive capacitance (PC) transforms into a negative capacitance (NC) in forward bias. In addition, impedance measurements at high frequencies were carried out after the measurements in the dark, while the surface of the structure was illuminated at 100 mW/cm<sup>2</sup>. At the frequencies of 2 MHz and 3 MHz, where inductive behavior was observed, the light refilled the depleted trap levels, catalyzing the transition from NC to PC in forward bias. These findings suggest that the capacitance and conductance of the heterojunction have a remarkable frequency sensitivity, particularly evident at higher frequencies. The outcomes of this study are poised to significantly influence the comprehension of carbon-lanthanides-based electronic technology, and enable the creation of new hybrid functional materials for use in electronic or optoelectronic applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100781"},"PeriodicalIF":5.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698453","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 : 2024-11-02DOI: 10.1016/j.flatc.2024.100768
Mohammed Fuseini , Moustafa Mahmoud Yousry Zaghloul , Djibrine Abakar , Mai Mahmoud Yousry Zaghloul
Epoxy resins, known for their chemical stability, electrical insulation, and bonding properties, are widely used in mechanical friction applications. However, their brittleness and low abrasion resistance limit their tribological performance. To address these challenges, researchers have focused on enhancing the tribological properties of epoxy coatings by incorporating various nanofillers. This review highlights the significant impact of nanofillers, such as graphene oxide (GO), molybdenum disulfide (MoS2), and polytetrafluoroethylene (PTFE), on the friction, wear resistance, and thermal stability of epoxy nanocomposite coatings. For instance, the inclusion of MoS2 in epoxy resulted in up to a 90 % reduction in the coefficient of friction, while rGO and PTFE composites exhibited an 88 % improvement in wear rate and an 88 % reduction in friction. Additionally, hybrid nanofillers, such as MoS2-graphene combinations, demonstrated remarkable synergy, reducing friction by 99 % compared to pure epoxy coatings. The practical implications of these findings are profound, offering enhanced durability, reduced energy loss, and improved performance in high-stress mechanical applications such as automotive, aerospace, and industrial machinery. These improvements also have the potential to contribute to increased fuel efficiency and reduced environmental impact by lowering CO2 emissions. This review emphasizes the trends and challenges in scaling up these nanocomposite systems, highlighting future research directions for optimizing nanofiller dispersion and addressing mechanical degradation under harsh conditions.
{"title":"Review of epoxy nano-filled hybrid nanocomposite coatings for tribological applications","authors":"Mohammed Fuseini , Moustafa Mahmoud Yousry Zaghloul , Djibrine Abakar , Mai Mahmoud Yousry Zaghloul","doi":"10.1016/j.flatc.2024.100768","DOIUrl":"10.1016/j.flatc.2024.100768","url":null,"abstract":"<div><div>Epoxy resins, known for their chemical stability, electrical insulation, and bonding properties, are widely used in mechanical friction applications. However, their brittleness and low abrasion resistance limit their tribological performance. To address these challenges, researchers have focused on enhancing the tribological properties of epoxy coatings by incorporating various nanofillers. This review highlights the significant impact of nanofillers, such as graphene oxide (GO), molybdenum disulfide (MoS<sub>2</sub>), and polytetrafluoroethylene (PTFE), on the friction, wear resistance, and thermal stability of epoxy nanocomposite coatings. For instance, the inclusion of MoS<sub>2</sub> in epoxy resulted in up to a 90 % reduction in the coefficient of friction, while rGO and PTFE composites exhibited an 88 % improvement in wear rate and an 88 % reduction in friction. Additionally, hybrid nanofillers, such as MoS<sub>2</sub>-graphene combinations, demonstrated remarkable synergy, reducing friction by 99 % compared to pure epoxy coatings. The practical implications of these findings are profound, offering enhanced durability, reduced energy loss, and improved performance in high-stress mechanical applications such as automotive, aerospace, and industrial machinery. These improvements also have the potential to contribute to increased fuel efficiency and reduced environmental impact by lowering CO<sub>2</sub> emissions. This review emphasizes the trends and challenges in scaling up these nanocomposite systems, highlighting future research directions for optimizing nanofiller dispersion and addressing mechanical degradation under harsh conditions.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100768"},"PeriodicalIF":5.9,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756837","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 : 2024-11-01DOI: 10.1016/j.flatc.2024.100769
Sara Rozas , Pedro A. Marcos , Alfredo Bol , Mert Atilhan , Santiago Aparicio
This research explores the behavior of helicenes in Deep Eutectic Solvents (DES) formed by thymol and dodecanoic acid using a combined theoretical approach. COSMOtherm, Density Functional Theory (DFT), and molecular dynamics (MD) simulations were employed to elucidate the interactions between helicenes and the DES components at the molecular level. The behavior of helicenes in water was also studied as a reference system. COSMOtherm calculations provided insights into the thermodynamic properties of the system. DFT simulations allowed for the investigation of the electronic structure and bonding interactions between helicenes and DES molecules. Additionally, MD simulations offered dynamic information on the solvation behavior and conformational preferences of helicenes within the DES media. The combined approach provides a comprehensive understanding of the interactions between helicenes and thymol-dodecanoic acid DES. The research findings will contribute to the development of a theoretical framework for predicting the behavior of other functional molecules in DES environments. This knowledge has potential applications in various fields, including material science, catalysis, and drug delivery.
本研究采用综合理论方法，探讨了萜烯在由百里酚和十二酸形成的深共晶溶剂（DES）中的行为。研究采用了 COSMOtherm、密度泛函理论（DFT）和分子动力学（MD）模拟来阐明茴香烯与 DES 成分在分子水平上的相互作用。此外，还以水为参照系统研究了螺旋烯在水中的行为。COSMOtherm 计算深入揭示了该体系的热力学特性。通过 DFT 模拟，可以研究螺旋烯和 DES 分子之间的电子结构和成键相互作用。此外，MD 模拟还提供了螺旋烯在 DES 介质中的溶解行为和构象偏好的动态信息。这种综合方法提供了对螺旋烯与百里酚-十二烷酸 DES 之间相互作用的全面理解。研究成果将有助于开发一个理论框架，用于预测其他功能分子在 DES 环境中的行为。这些知识有望应用于材料科学、催化和药物输送等多个领域。
{"title":"In silico study on helicenes in hydrophobic natural deep eutectic solvent","authors":"Sara Rozas , Pedro A. Marcos , Alfredo Bol , Mert Atilhan , Santiago Aparicio","doi":"10.1016/j.flatc.2024.100769","DOIUrl":"10.1016/j.flatc.2024.100769","url":null,"abstract":"<div><div>This research explores the behavior of helicenes in Deep Eutectic Solvents (DES) formed by thymol and dodecanoic acid using a combined theoretical approach. COSMOtherm, Density Functional Theory (DFT), and molecular dynamics (MD) simulations were employed to elucidate the interactions between helicenes and the DES components at the molecular level. The behavior of helicenes in water was also studied as a reference system. COSMOtherm calculations provided insights into the thermodynamic properties of the system. DFT simulations allowed for the investigation of the electronic structure and bonding interactions between helicenes and DES molecules. Additionally, MD simulations offered dynamic information on the solvation behavior and conformational preferences of helicenes within the DES media. The combined approach provides a comprehensive understanding of the interactions between helicenes and thymol-dodecanoic acid DES. The research findings will contribute to the development of a theoretical framework for predicting the behavior of other functional molecules in DES environments. This knowledge has potential applications in various fields, including material science, catalysis, and drug delivery.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100769"},"PeriodicalIF":5.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656236","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 : 2024-11-01DOI: 10.1016/j.flatc.2024.100771
S.P. Vinodhini , Joseph Raj Xavier , R. Ganesan
The efficiency of impermeable, two-dimensional material-infused nanocomposites in preventing metal corrosion is becoming more widely acknowledged. The remarkable chemical and thermal durability of 3-(2-aminomethylamino)butyltrimethoxysilane (AMBMS)-functionalized hexagonal boron nitride (BN) sets it apart from others. This study looks into adding more graphitic carbon nitride (GCN) and functionalized BN to the polymer to make it more resistant to corrosion and fire. Electrochemical methods were used on aluminum substrates to evaluate the performance of the proposed polyurethane (PU)/functionalized BN/GCN coating in a 3.5 wt% NaCl solution. After 800 h of exposure, Electrochemical Impedance Spectroscopy (EIS) indicated a coating resistance of 1.15 × 109 Ω.cm2, indicating significant increases in corrosion resistance. The protection efficiency of the composite coating was calculated to be 99.9 %. Furthermore, the coating exhibited an angle of contact with water of 163°, indicating its exceptional water repellency. The PU/functionalized BN/GCN composite had a much lower peak heat release rate than pure PU, which means it is better at keeping flames from spreading. These enhancements contribute to improved safety in potential applications. This durability is particularly important for aerospace applications, where long-term performance is critical. In short, the addition of functionalized BN/GCN to PU coatings significantly enhances the material’s mechanical, flame retardant, and corrosion resistance qualities, making it ideal for use in harsh environments such as aerospace.
{"title":"A high-performance boron nitride nanocomposite coating with enhanced anticorrosion and flame retardant properties for aerospace applications","authors":"S.P. Vinodhini , Joseph Raj Xavier , R. Ganesan","doi":"10.1016/j.flatc.2024.100771","DOIUrl":"10.1016/j.flatc.2024.100771","url":null,"abstract":"<div><div>The efficiency of impermeable, two-dimensional material-infused nanocomposites in preventing metal corrosion is becoming more widely acknowledged. The remarkable chemical and thermal durability of 3-(2-aminomethylamino)butyltrimethoxysilane (AMBMS)-functionalized hexagonal boron nitride (BN) sets it apart from others. This study looks into adding more graphitic carbon nitride (GCN) and functionalized BN to the polymer to make it more resistant to corrosion and fire. Electrochemical methods were used on aluminum substrates to evaluate the performance of the proposed polyurethane (PU)/functionalized BN/GCN coating in a 3.5 wt% NaCl solution. After 800 h of exposure, Electrochemical Impedance Spectroscopy (EIS) indicated a coating resistance of 1.15 × 10<sup>9</sup> Ω.cm<sup>2</sup>, indicating significant increases in corrosion resistance. The protection efficiency of the composite coating was calculated to be 99.9 %. Furthermore, the coating exhibited an angle of contact with water of 163°, indicating its exceptional water repellency. The PU/functionalized BN/GCN composite had a much lower peak heat release rate than pure PU, which means it is better at keeping flames from spreading. These enhancements contribute to improved safety in potential applications. This durability is particularly important for aerospace applications, where long-term performance is critical. In short, the addition of functionalized BN/GCN to PU coatings significantly enhances the material’s mechanical, flame retardant, and corrosion resistance qualities, making it ideal for use in harsh environments such as aerospace.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100771"},"PeriodicalIF":5.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656173","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}
Polypyrrole hydrogel (PH) attributing high electrical conductivity, intriguing redox properties, ease of synthesis and environmental friendliness, is a prospective electrode material for supercapacitors (SCs). This work presented details of the synthesis of pH and its binary and ternary nanocomposites. The ternary nanocomposite PPy-GCN-NMO (PGNMO), synthesized via in-situ oxidative polymerization, demonstrates an exclusive combination of morphologies, leading to excellent supercapacitive performance. The strategically chosen synergy of electric double-layer capacitance (EDLC) and pseudocapacitive materials helps in overcoming the limitation of individual elements and collectively accounts for excellent supercapacitive performance. Electrochemical studies of PGNMO electrode provides an excellent specific capacitance (Cs) of 3611 F/g at 1 A/g. Moreover, the fabricated symmetric device of PGNMO exhibits impressive Cs of 588 F/g at 1 A/g, and exceptional cycle stability with 104.3 % retention after 6000 cycles. Additionally, the device delivers appreciable specific energy of 40.1 Wh/kg at 1587.6 W/kg, positioning PGNMO to the forefront of flexible electrodes for SCs.
{"title":"Nanostructured nickel doped manganese oxide/polypyrrole/graphitic carbon nitride hydrogel as high-performance supercapacitor electrodes","authors":"Priya Siwach , Latisha Gaba , Kanika Aggarwal , Sajjan Dahiya , Rajesh Punia , A.S. Maan , Kuldeep Singh , Yedluri Anil Kumar , Ayman A. Ghfar , Anil Ohlan","doi":"10.1016/j.flatc.2024.100778","DOIUrl":"10.1016/j.flatc.2024.100778","url":null,"abstract":"<div><div>Polypyrrole hydrogel (PH) attributing high electrical conductivity, intriguing redox properties, ease of synthesis and environmental friendliness, is a prospective electrode material for supercapacitors (SCs). This work presented details of the synthesis of pH and its binary and ternary nanocomposites. The ternary nanocomposite PPy-GCN-NMO (PGNMO), synthesized via in-situ oxidative polymerization, demonstrates an exclusive combination of morphologies, leading to excellent supercapacitive performance. The strategically chosen synergy of electric double-layer capacitance (EDLC) and pseudocapacitive materials helps in overcoming the limitation of individual elements and collectively accounts for excellent supercapacitive performance. Electrochemical studies of PGNMO electrode provides an excellent specific capacitance (C<sub>s</sub>) of 3611 F/g at 1 A/g. Moreover, the fabricated symmetric device of PGNMO exhibits impressive C<sub>s</sub> of 588 F/g at 1 A/g, and exceptional cycle stability with 104.3 % retention after 6000 cycles. Additionally, the device delivers appreciable specific energy of 40.1 Wh/kg at 1587.6 W/kg, positioning PGNMO to the forefront of flexible electrodes for SCs.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100778"},"PeriodicalIF":5.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The article is devoted to the study of wettability on combined textured surfaces (laser texturing): textured copper and graphene (Cu/G) synthesized on copper. For the first time the combined effect of various textures after laser texturing and graphene synthesis on corrosion current and wettability before and after corrosion is investigated. Previous research works have shown that the surface wettability after laser texturing varies greatly over time, from superhydrophilic to highly hydrophobic. However, the present work shows that the combined effect of laser texturing and graphene synthesis allows stabilizing the wettability of textured samples over time, as well as significantly reducing the impact of corrosion on the contact angle. The droplet contact angle changes slightly over time after corrosion. The smallest change in the contact angle corresponds to the Cu/G surface for textures with craters. At that, the corrosion current of the textured Cu/G sample is reduced 12–14 times, compared with the textured copper. The use of textures with craters provides higher corrosion resistance than in the case of textures without craters. The performed XPS analysis reveals that that the textured wall with craters has a maximum peak C = C (C1s XPS spectra). A new mechanism is proposed to explain the different wettability inversion period for textured copper with graphene synthesis. The wettability of textured surfaces is simulated using molecular dynamics methods. The contact angle of the nanodrop depends on both the textures and the hydrophilicity of the polished surface. The obtained results will be useful for the development of combined methods and composite materials in materials science to control wettability, stabilize surface properties, as well as to counteract aggressive environmental effects.
{"title":"Co-use of laser texturing and graphene synthesis","authors":"S.Y. Misyura , V.S. Morozov , V.A. Andryuschenko , K.V. Slyusarskiy","doi":"10.1016/j.flatc.2024.100770","DOIUrl":"10.1016/j.flatc.2024.100770","url":null,"abstract":"<div><div>The article is devoted to the study of wettability on combined textured surfaces (laser texturing): textured copper and graphene (Cu/G) synthesized on copper. For the first time the combined effect of various textures after laser texturing and graphene synthesis on corrosion current and wettability before and after corrosion is investigated. Previous research works have shown that the surface wettability after laser texturing varies greatly over time, from superhydrophilic to highly hydrophobic. However, the present work shows that the combined effect of laser texturing and graphene synthesis allows stabilizing the wettability of textured samples over time, as well as significantly reducing the impact of corrosion on the contact angle. The droplet contact angle changes slightly over time after corrosion. The smallest change in the contact angle corresponds to the Cu/G surface for textures with craters. At that, the corrosion current of the textured Cu/G sample is reduced 12–14 times, compared with the textured copper. The use of textures with craters provides higher corrosion resistance than in the case of textures without craters. The performed XPS analysis reveals that that the textured wall with craters has a maximum peak C = C (C1s XPS spectra). A new mechanism is proposed to explain the different wettability inversion period for textured copper with graphene synthesis. The wettability of textured surfaces is simulated using molecular dynamics methods. The contact angle of the nanodrop depends on both the textures and the hydrophilicity of the polished surface. The obtained results will be useful for the development of combined methods and composite materials in materials science to control wettability, stabilize surface properties, as well as to counteract aggressive environmental effects.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100770"},"PeriodicalIF":5.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656237","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 : 2024-11-01DOI: 10.1016/j.flatc.2024.100780
Di Zhang , Wenyuan Zhu , Hongbin Li , Long Lin , Kun Xie , Pengtao Wang , Zhanying Zhang
Real-time monitoring of gases from thermal runaway in lithium batteries is a method to improve their safety. In this paper, the adsorption of lithium battery thermal runaway gases on a monolayer of CrS2 is analyzed using first principle calculations. The adsorption energy, energy bands, density of states, charge transfer, and recovery time of the adsorption structure between the designated gas and Ag and Au-loaded CrS2 are investigated. After comparing the adsorption parameters, the ability of the target gas to be adsorbed is significantly enhanced after doping with transition metals. In terms of sensing performance, the modification effects of Ag and Au on the substrate have also been verified through state density and recovery time. This study offers a theoretical basis for the development of a novel gas sensor to detect gases produced during thermal runaway in lithium batteries.
实时监测锂电池热失控产生的气体是提高其安全性的一种方法。本文利用第一原理计算分析了锂电池热失控气体在 CrS2 单层上的吸附情况。研究了指定气体与 Ag 和 Au 负载 CrS2 之间吸附结构的吸附能、能带、态密度、电荷转移和恢复时间。比较吸附参数后发现，掺杂过渡金属后，目标气体的吸附能力明显增强。在传感性能方面，Ag 和 Au 对基底的修饰作用也通过状态密度和恢复时间得到了验证。这项研究为开发新型气体传感器提供了理论依据，该传感器可检测锂电池热失控过程中产生的气体。
{"title":"The adsorption and gas-sensing properties of transition metal (Ag and Au) modified CrS2 monolayer: A DFT study","authors":"Di Zhang , Wenyuan Zhu , Hongbin Li , Long Lin , Kun Xie , Pengtao Wang , Zhanying Zhang","doi":"10.1016/j.flatc.2024.100780","DOIUrl":"10.1016/j.flatc.2024.100780","url":null,"abstract":"<div><div>Real-time monitoring of gases from thermal runaway in lithium batteries is a method to improve their safety. In this paper, the adsorption of lithium battery thermal runaway gases on a monolayer of CrS<sub>2</sub> is analyzed using first principle calculations. The adsorption energy, energy bands, density of states, charge transfer, and recovery time of the adsorption structure between the designated gas and Ag and Au-loaded CrS<sub>2</sub> are investigated. After comparing the adsorption parameters, the ability of the target gas to be adsorbed is significantly enhanced after doping with transition metals. In terms of sensing performance, the modification effects of Ag and Au on the substrate have also been verified through state density and recovery time. This study offers a theoretical basis for the development of a novel gas sensor to detect gases produced during thermal runaway in lithium batteries.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100780"},"PeriodicalIF":5.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142697596","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}
Stimuli-responsive nanocarriers have gained attention in cancer therapy as a promising strategy because of their ability to enhance treatment efficacy and minimize off-target medication effects. This study introduces a novel nanopolymer responsive to pH and near-infrared (NIR) light as an intelligent carrier for delivering bicalutamide (BCT) into cancer cells. For this, the surface of tungsten disulfide (WS2) nanosheets is modified with temperature-responsive (poly(N-vinylcaprolactam)) and pH-sensitive (vinylacetic acid) polymers and then characterized using TGA, FE-SEM, XRD, and FT-IR techniques. Experimental variables including pH (5.56), temperature (25 °C), and contact time (11.02 min) are optimized using response surface methodology (RSM) and central composite design (CCD), yielding an adsorption efficacy of 99.45 %. The RSM-CCD model’s capability is analyzed using the correlation coefficient (R2) and several statistical error functions, including average relative error (ARE), root mean square error (RMSE), hybrid fractional error function (HYBRID), and Chi-square test (χ2). The in vitro drug release procedure is evaluated at different pH levels (5.6 and 7.4) and temperatures (37 and 50 °C). The results showed a maximum BCT release of 87.2 % within 6 h at 50 °C and pH 5.6, compared to 13.3 % at 37 °C and pH 7.4. Moreover, the BCT-loaded carrier demonstrates complete BCT release (100 %) following 10 min of NIR irradiation at pH 5.6. The kinetic data confirm that the best fit belongs to the zero-order model, and the drug release followed the supercase II transport mechanism.
{"title":"Surface functionalization of WS2 nanosheets with Poly(N-vinylcaprolactam) and vinylacetic acid for targeted drug release in prostate cancer","authors":"Mohammadreza Mahdavijalal , Homayon Ahmad Panahi , Elham Moniri , Niloufar Torabi Fard","doi":"10.1016/j.flatc.2024.100777","DOIUrl":"10.1016/j.flatc.2024.100777","url":null,"abstract":"<div><div>Stimuli-responsive nanocarriers have gained attention in cancer therapy as a promising strategy because of their ability to enhance treatment efficacy and minimize off-target medication effects. This study introduces a novel nanopolymer responsive to pH and near-infrared (NIR) light as an intelligent carrier for delivering bicalutamide (BCT) into cancer cells. For this, the surface of tungsten disulfide (WS<sub>2</sub>) nanosheets is modified with temperature-responsive (poly(N-vinylcaprolactam)) and pH-sensitive (vinylacetic acid) polymers and then characterized using TGA, FE-SEM, XRD, and FT-IR techniques. Experimental variables including pH (5.56), temperature (25 °C), and contact time (11.02 min) are optimized using response surface methodology (RSM) and central composite design (CCD), yielding an adsorption efficacy of 99.45 %. The RSM-CCD model’s capability is analyzed using the correlation coefficient (R2) and several statistical error functions, including average relative error (ARE), root mean square error (RMSE), hybrid fractional error function (HYBRID), and Chi-square test (χ2). The in vitro drug release procedure is evaluated at different pH levels (5.6 and 7.4) and temperatures (37 and 50 °C). The results showed a maximum BCT release of 87.2 % within 6 h at 50 °C and pH 5.6, compared to 13.3 % at 37 °C and pH 7.4. Moreover, the BCT-loaded carrier demonstrates complete BCT release (100 %) following 10 min of NIR irradiation at pH 5.6. The kinetic data confirm that the best fit belongs to the zero-order model, and the drug release followed the supercase II transport mechanism.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100777"},"PeriodicalIF":5.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656175","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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