Pub Date : 2025-11-06DOI: 10.1016/j.synthmet.2025.118018
Herim Han , Bora Joo , Eung-Gun Kim
In molecular electrical doping of organic semiconductors, integer charge transfer is preferred to partial transfer to maximize the doping efficiency. To promote one transfer type over the other, it is necessary to understand how different charge-transfer parameters, molecular and environmental, play into the observed degree of charge transfer, a task that the current doping model is not fully equipped to handle. Using a two-state model combined with optimally tuned range-separated hybrid density functional theory calculations on a large cohort of molecular complexes representing p- and n-doped systems, we find that any degree of charge transfer can be cast in terms of a single parameter: the difference between the molecular orbital energy of an unbound molecule and the corresponding site energy in a molecular complex. Our new doping model resolves the dual nature of integer transfer and the underlying mechanism of the energy level offset as a predictor for partial transfer.
{"title":"Molecular electrical doping: One descriptor for any degree of charge transfer","authors":"Herim Han , Bora Joo , Eung-Gun Kim","doi":"10.1016/j.synthmet.2025.118018","DOIUrl":"10.1016/j.synthmet.2025.118018","url":null,"abstract":"<div><div>In molecular electrical doping of organic semiconductors, integer charge transfer is preferred to partial transfer to maximize the doping efficiency. To promote one transfer type over the other, it is necessary to understand how different charge-transfer parameters, molecular and environmental, play into the observed degree of charge transfer, a task that the current doping model is not fully equipped to handle. Using a two-state model combined with optimally tuned range-separated hybrid density functional theory calculations on a large cohort of molecular complexes representing p- and n-doped systems, we find that any degree of charge transfer can be cast in terms of a single parameter: the difference between the molecular orbital energy of an unbound molecule and the corresponding site energy in a molecular complex. Our new doping model resolves the dual nature of integer transfer and the underlying mechanism of the energy level offset as a predictor for partial transfer.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118018"},"PeriodicalIF":4.6,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145525538","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}
Poly (3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) doped with CoMnFeO4 ferrite nanoparticles (abbreviated as PCMF). A thin film was developed by employing spin coating technique. The structural, surface morphology, optical absorption, and thermal features of the synthesized PCMF thin films were characterized via XRD, SEM, EDS, FTIR, UV-Visible and TGA methods. The liquefied petroleum gas (LPG) sensing behaviour and soil moisture tests of synthesized PCMF thin film was recorded at ambient temperature. Among the prepared samples, the PCMF (3 wt%) thin film displayed outstanding gas sensing response towards LPG at room temperature. The gas sensitivity in the PCMF (3 wt%) thin film was exhibiting 98 % on exposing to flammable LPG. The PCMF (3 wt%) thin film showed a superior response and recovery times of the order of 42 s and 56 s respectively at 500 ppb concentration of LPG with improved selectivity and long-term stability. The synthesized PCMF thin films sensors are highly stable towards exposure of different relative humidity conditions. The morphology, structural features and gas sensing properties of the prepared PCMF thin film have been witnessed to be utilise as potential candidate to fabricate the high-performance device for LPG sensing applications. Furthermore, the prepared PCMF thin film sensors could be utilized in quantification of soil moisture content and relative humidity tests for agricultural applications.
{"title":"Fabrication of ultra-sensitive LPG sensor using PEDOT-PSS doped cobalt-manganese-iron oxide ferrites thin film at optimum temperature: A multi-functional application","authors":"Apsar Pasha , Manjunatha S.O. , Prathibha B.S. , Koushalya P.R. , Madhukeswara R.S. , Mahesh D. , Harikrishna K.M. , K.M. Srinivasamurthy","doi":"10.1016/j.synthmet.2025.118017","DOIUrl":"10.1016/j.synthmet.2025.118017","url":null,"abstract":"<div><div>Poly (3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) doped with CoMnFeO<sub>4</sub> ferrite nanoparticles (abbreviated as PCMF). A thin film was developed by employing spin coating technique. The structural, surface morphology, optical absorption, and thermal features of the synthesized PCMF thin films were characterized via XRD, SEM, EDS, FTIR, UV-Visible and TGA methods. The liquefied petroleum gas (LPG) sensing behaviour and soil moisture tests of synthesized PCMF thin film was recorded at ambient temperature. Among the prepared samples, the PCMF (3 wt%) thin film displayed outstanding gas sensing response towards LPG at room temperature. The gas sensitivity in the PCMF (3 wt%) thin film was exhibiting 98 % on exposing to flammable LPG. The PCMF (3 wt%) thin film showed a superior response and recovery times of the order of 42 s and 56 s respectively at 500 ppb concentration of LPG with improved selectivity and long-term stability. The synthesized PCMF thin films sensors are highly stable towards exposure of different relative humidity conditions. The morphology, structural features and gas sensing properties of the prepared PCMF thin film have been witnessed to be utilise as potential candidate to fabricate the high-performance device for LPG sensing applications. Furthermore, the prepared PCMF thin film sensors could be utilized in quantification of soil moisture content and relative humidity tests for agricultural applications.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118017"},"PeriodicalIF":4.6,"publicationDate":"2025-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474409","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-05DOI: 10.1016/j.synthmet.2025.118011
Ali Mahvashian , Hossein Sid Kalal , Ebrahim Shirali
This study examines the batch adsorption of gadolinium (Gd³⁺) and samarium (Sm³⁺) ions from aqueous solutions using an MWCNTs/PANI nanocomposite. The adsorbent was produced through chemical polymerization of polyaniline onto multi-walled carbon nanotubes and characterized using XRD, FTIR, BET, and SEM analyses. Adsorption experiments evaluated the effects of initial ion concentration, adsorbent dosage, contact time, temperature, pH, and ionic strength. The optimal adsorption conditions were observed at pH 5.5, with an initial ion concentration of 4 mg/L, an adsorbent dosage of 0.02 g/L, and a temperature of 298 K. The Langmuir model provided the best fit for Sm³ ⁺ adsorption, whereas the Sips model better described Gd³ ⁺ adsorption. Kinetic analysis revealed that Gd³⁺ adsorption followed a pseudo-first-order model, while Sm³ ⁺ adsorption conformed to a pseudo-second-order model. The thermodynamic parameters revealed that the adsorption of both ions was non-spontaneous, with Sm³ ⁺ adsorption being endothermic and Gd³ ⁺ adsorption exothermic. Overall, the findings demonstrate that the MWCNTs/PANI nanocomposite is an effective adsorbent for Gd³ ⁺ and Sm³ ⁺ removal from aqueous media, highlighting its potential for application in industrial wastewater treatment.
{"title":"An adsorbent process in the synthesis of polyaniline polymerization based on multi-walled carbon nanotubes for the removal of samarium and gadolinium ions from environmental media","authors":"Ali Mahvashian , Hossein Sid Kalal , Ebrahim Shirali","doi":"10.1016/j.synthmet.2025.118011","DOIUrl":"10.1016/j.synthmet.2025.118011","url":null,"abstract":"<div><div>This study examines the batch adsorption of gadolinium (Gd³⁺) and samarium (Sm³⁺) ions from aqueous solutions using an MWCNTs/PANI nanocomposite. The adsorbent was produced through chemical polymerization of polyaniline onto multi-walled carbon nanotubes and characterized using XRD, FTIR, BET, and SEM analyses. Adsorption experiments evaluated the effects of initial ion concentration, adsorbent dosage, contact time, temperature, pH, and ionic strength. The optimal adsorption conditions were observed at pH 5.5, with an initial ion concentration of 4 mg/L, an adsorbent dosage of 0.02 g/L, and a temperature of 298 K. The Langmuir model provided the best fit for Sm³ ⁺ adsorption, whereas the Sips model better described Gd³ ⁺ adsorption. Kinetic analysis revealed that Gd³⁺ adsorption followed a pseudo-first-order model, while Sm³ ⁺ adsorption conformed to a pseudo-second-order model. The thermodynamic parameters revealed that the adsorption of both ions was non-spontaneous, with Sm³ ⁺ adsorption being endothermic and Gd³ ⁺ adsorption exothermic. Overall, the findings demonstrate that the MWCNTs/PANI nanocomposite is an effective adsorbent for Gd³ ⁺ and Sm³ ⁺ removal from aqueous media, highlighting its potential for application in industrial wastewater treatment.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118011"},"PeriodicalIF":4.6,"publicationDate":"2025-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145525540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-05DOI: 10.1016/j.synthmet.2025.118019
Weibin Deng , Peng Chang , Keke Li , Rui Zhou , Yuan Shu , Haiquan Yu , Yating Zhang
The development of highly efficient electromagnetic (EM) wave absorption materials is crucial for mitigating EM pollution caused by modern electronic devices and communication technologies. Magnetic carbon composites with dual losses, exhibiting both magnetic and dielectric properties, demonstrate enhanced EM wave absorption performance. However, the facile fabrication and rational design of such composites remain a significant challenge. Herein, a novel lightweight Fe3O4/carbon foam composite was prepared by a facile mixed-foaming method. Notably, the magnetic Fe₃O₄ nanospheres were simultaneously embedded inside the carbon foam and implanted on its surface. Furthermore, a small fraction of reduced Fe increased the heterogeneous interfacial polarization and conductivity of the composites. With the addition of only 2 wt% Fe₃O₄, the composite achieved a minimum reflection loss of −52.10 dB at a matching thickness of 1.59 mm and an effective absorption bandwidth of 5.89 GHz at 1.73 mm, which is attributed to the synergistic effect between dielectric-magnetic loss and heterogeneous interfaces. Furthermore, the optimal radar cross-section reduction value of Fe3O4/carbon foam composite can be achieved at 19.38 dB·m2 at an angle of 20°, demonstrating significant application potential. The excellent EM wave absorption performance, coupled with its lightweight property, allows Fe3O4/carbon foam composite to be a promising candidate for advanced EM wave absorbing material.
{"title":"Lightweight Fe3O4/carbon foam composite with multiple electromagnetic loss paths for efficient electromagnetic wave absorption","authors":"Weibin Deng , Peng Chang , Keke Li , Rui Zhou , Yuan Shu , Haiquan Yu , Yating Zhang","doi":"10.1016/j.synthmet.2025.118019","DOIUrl":"10.1016/j.synthmet.2025.118019","url":null,"abstract":"<div><div>The development of highly efficient electromagnetic (EM) wave absorption materials is crucial for mitigating EM pollution caused by modern electronic devices and communication technologies. Magnetic carbon composites with dual losses, exhibiting both magnetic and dielectric properties, demonstrate enhanced EM wave absorption performance. However, the facile fabrication and rational design of such composites remain a significant challenge. Herein, a novel lightweight Fe<sub>3</sub>O<sub>4</sub>/carbon foam composite was prepared by a facile mixed-foaming method. Notably, the magnetic Fe₃O₄ nanospheres were simultaneously embedded inside the carbon foam and implanted on its surface. Furthermore, a small fraction of reduced Fe increased the heterogeneous interfacial polarization and conductivity of the composites. With the addition of only 2 wt% Fe₃O₄, the composite achieved a minimum reflection loss of −52.10 dB at a matching thickness of 1.59 mm and an effective absorption bandwidth of 5.89 GHz at 1.73 mm, which is attributed to the synergistic effect between dielectric-magnetic loss and heterogeneous interfaces. Furthermore, the optimal radar cross-section reduction value of Fe<sub>3</sub>O<sub>4</sub>/carbon foam composite can be achieved at 19.38 dB·m<sup>2</sup> at an angle of 20°, demonstrating significant application potential. The excellent EM wave absorption performance, coupled with its lightweight property, allows Fe<sub>3</sub>O<sub>4</sub>/carbon foam composite to be a promising candidate for advanced EM wave absorbing material.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118019"},"PeriodicalIF":4.6,"publicationDate":"2025-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-04DOI: 10.1016/j.synthmet.2025.118015
Mohammad Khalesi Hamedani, Maisam Jalaly
In recent years, the widespread use of electromagnetic (EM) waves has raised concerns about their hazards, necessitating the development of high-performance EM wave absorbers for applications such as anti-interference coatings, camouflage, and biological protection. This study presents a novel core-shell nanostructure, CoFe₂O₄@ZnO@C, synthesized via a multi-step approach combining co-precipitation, hydrothermal methods, and pyrolysis. The material’s absorption performance was optimized by tuning magnetic (CoFe₂O₄) and dielectric (ZnO/C) loss mechanisms, particle size, and structure. Paraffin-based composites containing ternary core-shell nanoparticles with varying thicknesses (0.5–3 mm) were fabricated, and the 0.5 mm specimen demonstrated exceptional EM wave absorption across the entire wide bandwidth of 8.2–12.4 GHz, achieving 97 % wave energy absorption (RL = −20 dB). The outstanding performance is attributed to optimal impedance matching at 0.5 mm and the synergistic effects of carbon-enhanced dielectric loss and cobalt ferrite–driven magnetic loss. This work offers a promising strategy for designing lightweight, high-efficiency EM wave absorbers.
{"title":"Enhanced electromagnetic wave absorption in nanostructured CoFe₂O₄@ZnO@C core-shell composites: Synthesis and characterization","authors":"Mohammad Khalesi Hamedani, Maisam Jalaly","doi":"10.1016/j.synthmet.2025.118015","DOIUrl":"10.1016/j.synthmet.2025.118015","url":null,"abstract":"<div><div>In recent years, the widespread use of electromagnetic (EM) waves has raised concerns about their hazards, necessitating the development of high-performance EM wave absorbers for applications such as anti-interference coatings, camouflage, and biological protection. This study presents a novel core-shell nanostructure, CoFe₂O₄@ZnO@C, synthesized via a multi-step approach combining co-precipitation, hydrothermal methods, and pyrolysis. The material’s absorption performance was optimized by tuning magnetic (CoFe₂O₄) and dielectric (ZnO/C) loss mechanisms, particle size, and structure. Paraffin-based composites containing ternary core-shell nanoparticles with varying thicknesses (0.5–3 mm) were fabricated, and the 0.5 mm specimen demonstrated exceptional EM wave absorption across the entire wide bandwidth of 8.2–12.4 GHz, achieving 97 % wave energy absorption (RL = −20 dB). The outstanding performance is attributed to optimal impedance matching at 0.5 mm and the synergistic effects of carbon-enhanced dielectric loss and cobalt ferrite–driven magnetic loss. This work offers a promising strategy for designing lightweight, high-efficiency EM wave absorbers.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118015"},"PeriodicalIF":4.6,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-04DOI: 10.1016/j.synthmet.2025.118016
Yulu Chen , Huawei Rong , Rongzhi Zhao , Zhen Shi , Lingfeng Li , Hang Shentu , Xuefeng Zhang
With the rapid development of next-generation wireless communication technologies, electromagnetic pollution has become an issue that cannot be overlooked. Designing lightweight, flexible composite materials with excellent electromagnetic shielding properties has become a significant challenge. This study designed a double-layer core-shell structure to fabricate polymer-based PAN@PDA@Ag nanofiber membranes. Scanning electron microscopy (SEM) studies revealed that the nanofiber exhibits a distinct core-shell structure. PAN@PDA nanofiber adsorbs silver nanoparticles (AgNPs) via chemical reduction, forming a dense conductive network layer. The morphology of fibers is achieved by regulating the contents of PDA. The [email protected]@Ag-90 fiber membranes, with a thickness of 0.06 mm, show an impressive conductivity of 3601.76 S/m and a shielding effectiveness of 85.6 dB. This work demonstrates that the synergistic effect among the components endows the composite with outstanding electromagnetic shielding performance, offering promising prospects for applications in next-generation wireless technologies.
{"title":"Flexible PAN@PDA@Ag nanofiber membranes for controllable electromagnetic interference shielding","authors":"Yulu Chen , Huawei Rong , Rongzhi Zhao , Zhen Shi , Lingfeng Li , Hang Shentu , Xuefeng Zhang","doi":"10.1016/j.synthmet.2025.118016","DOIUrl":"10.1016/j.synthmet.2025.118016","url":null,"abstract":"<div><div>With the rapid development of next-generation wireless communication technologies, electromagnetic pollution has become an issue that cannot be overlooked. Designing lightweight, flexible composite materials with excellent electromagnetic shielding properties has become a significant challenge. This study designed a double-layer core-shell structure to fabricate polymer-based PAN@PDA@Ag nanofiber membranes. Scanning electron microscopy (SEM) studies revealed that the nanofiber exhibits a distinct core-shell structure. PAN@PDA nanofiber adsorbs silver nanoparticles (AgNPs) via chemical reduction, forming a dense conductive network layer. The morphology of fibers is achieved by regulating the contents of PDA. The [email protected]@Ag-90 fiber membranes, with a thickness of 0.06 mm, show an impressive conductivity of 3601.76 S/m and a shielding effectiveness of 85.6 dB. This work demonstrates that the synergistic effect among the components endows the composite with outstanding electromagnetic shielding performance, offering promising prospects for applications in next-generation wireless technologies.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118016"},"PeriodicalIF":4.6,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-04DOI: 10.1016/j.synthmet.2025.118013
Udayraj T. Pawar , Avinash C. Molane , Shivani S. Gavande , Arun Karnwal , Manickam Selvaraj , Prakash A. Mahanwar , Vikas B. Patil
A novel spinel cobalt oxide (Co3O4) with controlled morphology, coated with polypyrrole (PPy), was synthesized using a simple yet efficient electrodeposition method. Physicochemical characterization confirmed a feather-like morphology, hydrophilic surface features and the coexistence of Co2 + /Co3+ oxidation states. The optimized Co3O4/PPy composite exhibited enhanced surface area, dislocation density and porosity, leading to superior electrochemical performance. It achieved a high specific capacitance of 1152.25 F/g at 5 mV/s in 1.0 M KOH, while delivering 831.57 F/g in 0.5 M KOH and 953.53 F/g in 1.5 M KOH. Similarly, capacitance values of 904.83 F/g and 234.88 F/g were obtained in 1.0 M NaOH and 1.0 M Na2SO4, respectively, confirming its strong pseudocapacitive behavior. At 10 mA/cm2, the composite retained a specific capacitance of 634.92 F/g, with corresponding specific power and specific energy of 7.94 kW/kg and 44.09 Wh/kg. The electrode also exhibited excellent cycling stability with 96.17 % capacitance retention after 1000 cycles. Furthermore, a symmetric liquid-state Co3O4/PPy supercapacitor device was fabricated, achieving a specific capacitance of 313.1 F/g at 5 mV/s, along with an energy density of 29.28 Wh/kg and a power density of 2.54 kW/kg. These results demonstrate the promise of cubic spinel Co3O4/PPy composites as advanced electrode materials for next-generation high-performance energy storage devices.
以聚吡咯（PPy）为包覆层，采用简单高效的电沉积方法合成了一种形态可控的新型尖晶石氧化钴（Co3O4）。物理化学表征证实其具有羽状形态、亲水表面特征和Co2 + /Co3+氧化态共存。优化后的Co3O4/PPy复合材料的比表面积、位错密度和孔隙率均有所提高，具有优异的电化学性能。在1.0 M KOH条件下，比电容在5 mV/s下达到1152.25 F/g，在0.5 M KOH条件下达到831.57 F/g，在1.5 M KOH条件下达到953.53 F/g。同样，在1.0 M NaOH和1.0 M Na2SO4中，电容值分别为904.83 F/g和234.88 F/g，证实了其强赝电容行为。在10 mA/cm2时，复合材料的比电容为634.92 F/g，相应的比功率和比能量分别为7.94 kW/kg和44.09 Wh/kg。该电极在1000次循环后的电容保持率为96.17 %，具有良好的循环稳定性。此外，还制备了对称液态Co3O4/PPy超级电容器器件，该器件在5 mV/s下的比电容为313.1 F/g，能量密度为29.28 Wh/kg，功率密度为2.54 kW/kg。这些结果表明立方尖晶石Co3O4/PPy复合材料有望成为下一代高性能储能器件的先进电极材料。
{"title":"High-performance supercapacitor electrodes based on binder-free electrodeposited polypyrrole-coated feather-like cobalt oxide nanostructures","authors":"Udayraj T. Pawar , Avinash C. Molane , Shivani S. Gavande , Arun Karnwal , Manickam Selvaraj , Prakash A. Mahanwar , Vikas B. Patil","doi":"10.1016/j.synthmet.2025.118013","DOIUrl":"10.1016/j.synthmet.2025.118013","url":null,"abstract":"<div><div>A novel spinel cobalt oxide (Co<sub>3</sub>O<sub>4</sub>) with controlled morphology, coated with polypyrrole (PPy), was synthesized using a simple yet efficient electrodeposition method. Physicochemical characterization confirmed a feather-like morphology, hydrophilic surface features and the coexistence of Co<sup>2 +</sup> /Co<sup>3+</sup> oxidation states. The optimized Co<sub>3</sub>O<sub>4</sub>/PPy composite exhibited enhanced surface area, dislocation density and porosity, leading to superior electrochemical performance. It achieved a high specific capacitance of 1152.25 F/g at 5 mV/s in 1.0 M KOH, while delivering 831.57 F/g in 0.5 M KOH and 953.53 F/g in 1.5 M KOH. Similarly, capacitance values of 904.83 F/g and 234.88 F/g were obtained in 1.0 M NaOH and 1.0 M Na<sub>2</sub>SO<sub>4</sub>, respectively, confirming its strong pseudocapacitive behavior. At 10 mA/cm<sup>2</sup>, the composite retained a specific capacitance of 634.92 F/g, with corresponding specific power and specific energy of 7.94 kW/kg and 44.09 Wh/kg. The electrode also exhibited excellent cycling stability with 96.17 % capacitance retention after 1000 cycles. Furthermore, a symmetric liquid-state Co<sub>3</sub>O<sub>4</sub>/PPy supercapacitor device was fabricated, achieving a specific capacitance of 313.1 F/g at 5 mV/s, along with an energy density of 29.28 Wh/kg and a power density of 2.54 kW/kg. These results demonstrate the promise of cubic spinel Co<sub>3</sub>O<sub>4</sub>/PPy composites as advanced electrode materials for next-generation high-performance energy storage devices.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118013"},"PeriodicalIF":4.6,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-04DOI: 10.1016/j.synthmet.2025.118012
Nan Chen , Zijian Zheng , Yedong Lu , Jingsong Li , Wenli Lv , Lei Sun , Sunan Xu , Yingquan Peng
This article reports compact modeling of staggered organic field-effect transistors (OFETs) with poly (vinyl alcohol) (PVA) dielectric and copper phthalocyanine (CuPc) active layer. In view of the measured output characteristics of the experimental device, simulations were carried out based on generic charge drift theory combined with various additional effects such as constant contact resistance, short channel effect, etc. The results show that excellent agreement between experiment and the model that associates the generic charge drift theory with power-law gate voltage dependent contact resistance and short channel effect is achieved. With the developed model, the output curves can be iteratively calculated from zero-voltage mobility μ0, mobility enhancement factor γ, threshold voltage Uth, overdrive voltage Uss, gatable contact resistance Rcg, gate-control index β, and short channel effect factor λv. Investigations into the influence of channel length (L) reveal that μ0 and γ remain almost constant, whereas Uth decreases monotonically with increasing L. The dependence of Rcg on L displays the trend of first decrease, reaching a minimum of 15 GΩ at L= 40 μm before gradually increasing again, while β is almost invariant with L. Furthermore, the investigations on the dependence of the fitting parameters on CuPc thickness show that with the thickness increasing, μ0 increase at first, and then tends to saturate when the thickness is larger than 10 nm. The achieved results should be of great significance for modeling of OFETs with other gate dielectrics and active layers.
{"title":"Compact modeling of staggered OFETs with a PVA dielectric: Impact of channel length and CuPc thickness","authors":"Nan Chen , Zijian Zheng , Yedong Lu , Jingsong Li , Wenli Lv , Lei Sun , Sunan Xu , Yingquan Peng","doi":"10.1016/j.synthmet.2025.118012","DOIUrl":"10.1016/j.synthmet.2025.118012","url":null,"abstract":"<div><div>This article reports compact modeling of staggered organic field-effect transistors (OFETs) with poly (vinyl alcohol) (PVA) dielectric and copper phthalocyanine (CuPc) active layer. In view of the measured output characteristics of the experimental device, simulations were carried out based on generic charge drift theory combined with various additional effects such as constant contact resistance, short channel effect, etc. The results show that excellent agreement between experiment and the model that associates the generic charge drift theory with power-law gate voltage dependent contact resistance and short channel effect is achieved. With the developed model, the output curves can be iteratively calculated from zero-voltage mobility <em>μ</em><sub><em>0</em></sub>, mobility enhancement factor <em>γ</em>, threshold voltage <em>U</em><sub><em>th</em></sub>, overdrive voltage <em>U</em><sub><em>ss</em></sub>, gatable contact resistance <em>R</em><sub><em>cg</em></sub>, gate-control index <em>β,</em> and short channel effect factor <em>λ</em><sub><em>v</em>.</sub> Investigations into the influence of channel length (<em>L</em>) reveal that <em>μ</em><sub><em>0</em></sub> and <em>γ</em> remain almost constant, whereas <em>U</em><sub><em>th</em></sub> decreases monotonically with increasing <em>L</em>. The dependence of <em>R</em><sub><em>cg</em></sub> on <em>L</em> displays the trend of first decrease, reaching a minimum of 15 GΩ at <em>L</em>= 40 μm before gradually increasing again, while <em>β</em> is almost invariant with <em>L</em>. Furthermore, the investigations on the dependence of the fitting parameters on CuPc thickness show that with the thickness increasing, <em>μ</em><sub><em>0</em></sub> increase at first, and then tends to saturate when the thickness is larger than 10 nm. The achieved results should be of great significance for modeling of OFETs with other gate dielectrics and active layers.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118012"},"PeriodicalIF":4.6,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-04DOI: 10.1016/j.synthmet.2025.118014
Liying Ren, Jingyi Zhang, Jing Chang
Ternary transition metal-light element compounds are recognized for their exceptional mechanical and thermodynamic properties, rendering them promising candidates for extreme-condition applications. Using first-principles calculations, this work systematically investigates the structural evolution and properties of Y₄BN₃ (Y = Hf, Ti, Zr) under pressure (0–100 GPa). Formation enthalpy and phonon dispersion analyses confirm the thermodynamic and dynamic stability of all three compounds under high pressure. At 0 GPa, the Vickers hardness follows Ti₄BN₃ (25.9 GPa) > Hf₄BN₃ (18.16 GPa) > Zr₄BN₃ (18.01 GPa), classifying Ti₄BN₃ as a hard material. Under pressure, Ti₄BN₃ and Hf₄BN₃ exhibit continuous hardening, whereas Zr₄BN₃ shows a slight decrease in hardness yet maintains a workability index above 40 GPa, indicating superior suitability for cutting tools. Notably, a pressure-induced brittle-to-ductile transition is observed: Ti₄BN₃ undergoes this transition at 70 GPa, while Zr₄BN₃ and Hf₄BN₃ transform at a much lower pressure of 10 GPa, accompanied by significantly enhanced fracture toughness. Debye temperature and melting point monotonically increase with pressure, exhibiting a strong negative correlation with Poisson’s ratio that implies enhanced thermal conductivity. These results identify Ti₄BN₃ as ideal for high-machinability applications and Hf₄BN₃ as superior for high-temperature environments. This study provides a guideline for designing hard materials resistant to extreme conditions.
{"title":"Pressure dependence of the structural stability, mechanical and thermodynamic properties of Y₄BN₃ (Y = Hf, Ti, Zr)","authors":"Liying Ren, Jingyi Zhang, Jing Chang","doi":"10.1016/j.synthmet.2025.118014","DOIUrl":"10.1016/j.synthmet.2025.118014","url":null,"abstract":"<div><div>Ternary transition metal-light element compounds are recognized for their exceptional mechanical and thermodynamic properties, rendering them promising candidates for extreme-condition applications. Using first-principles calculations, this work systematically investigates the structural evolution and properties of Y₄BN₃ (Y = Hf, Ti, Zr) under pressure (0–100 GPa). Formation enthalpy and phonon dispersion analyses confirm the thermodynamic and dynamic stability of all three compounds under high pressure. At 0 GPa, the Vickers hardness follows Ti₄BN₃ (25.9 GPa) > Hf₄BN₃ (18.16 GPa) > Zr₄BN₃ (18.01 GPa), classifying Ti₄BN₃ as a hard material. Under pressure, Ti₄BN₃ and Hf₄BN₃ exhibit continuous hardening, whereas Zr₄BN₃ shows a slight decrease in hardness yet maintains a workability index above 40 GPa, indicating superior suitability for cutting tools. Notably, a pressure-induced brittle-to-ductile transition is observed: Ti₄BN₃ undergoes this transition at 70 GPa, while Zr₄BN₃ and Hf₄BN₃ transform at a much lower pressure of 10 GPa, accompanied by significantly enhanced fracture toughness. Debye temperature and melting point monotonically increase with pressure, exhibiting a strong negative correlation with Poisson’s ratio that implies enhanced thermal conductivity. These results identify Ti₄BN₃ as ideal for high-machinability applications and Hf₄BN₃ as superior for high-temperature environments. This study provides a guideline for designing hard materials resistant to extreme conditions.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118014"},"PeriodicalIF":4.6,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145525542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.synthmet.2025.118010
Jeehyun Jeong, Jeong Han Song, Sunwoo Cho, Jeonghun Kwak
Organic thermoelectric (TE) materials based on conductive polymers are attracting attention for their mechanical flexibility, solution processability, low cost, and lightweight form factors. However, their still-low performance remains a major barrier to practical applications. Various strategies such as doping, dedoping, and nanofiller incorporation have been proposed, but their simultaneous application is difficult because of interactions between processing steps and film damage from repeated treatments. A comprehensive strategy that balances these effects while preventing film degradation is therefore essential. Here, we propose a multistep post-treatment protocol in which methanol, formic acid, and graphene quantum dots (GQDs) in hydrazine are sequentially introduced into poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) thin films. Each component is deliberately chosen to target a distinct transport parameter—methanol improves film morphology, formic acid enhances electrical conductivity (σ) by screening Coulombic interactions and reducing excess PSS, and hydrazine–GQDs optimize the Seebeck coefficient (α) through controlled dedoping and energy filtering—thereby enabling independent but synergistic modulation of σ and α. In particular, GQDs act as nanofillers that form interfacial sites for energy filtering while bridging adjacent PEDOT domains, thus simultaneously promoting α enhancement and efficient charge percolation. This strategy achieves a high power factor of 382.60 μW m−1 K−2 while preserving film morphology, originating from the combined effects of crystallinity enhancement, interfacial energy filtering, and improved inter-domain connectivity. By clarifying the underlying mechanisms, this integrated approach with GQDs provides insights for rational electronic and microstructural design of polymer thin films toward high-performance organic thermoelectric devices.
{"title":"Sequentially treated PEDOT:PSS with graphene quantum dots as synergistic nanofillers for high-performance thermoelectrics","authors":"Jeehyun Jeong, Jeong Han Song, Sunwoo Cho, Jeonghun Kwak","doi":"10.1016/j.synthmet.2025.118010","DOIUrl":"10.1016/j.synthmet.2025.118010","url":null,"abstract":"<div><div>Organic thermoelectric (TE) materials based on conductive polymers are attracting attention for their mechanical flexibility, solution processability, low cost, and lightweight form factors. However, their still-low performance remains a major barrier to practical applications. Various strategies such as doping, dedoping, and nanofiller incorporation have been proposed, but their simultaneous application is difficult because of interactions between processing steps and film damage from repeated treatments. A comprehensive strategy that balances these effects while preventing film degradation is therefore essential. Here, we propose a multistep post-treatment protocol in which methanol, formic acid, and graphene quantum dots (GQDs) in hydrazine are sequentially introduced into poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) thin films. Each component is deliberately chosen to target a distinct transport parameter—methanol improves film morphology, formic acid enhances electrical conductivity (<em>σ</em>) by screening Coulombic interactions and reducing excess PSS, and hydrazine–GQDs optimize the Seebeck coefficient (<em>α</em>) through controlled dedoping and energy filtering—thereby enabling independent but synergistic modulation of <em>σ</em> and <em>α</em>. In particular, GQDs act as nanofillers that form interfacial sites for energy filtering while bridging adjacent PEDOT domains, thus simultaneously promoting <em>α</em> enhancement and efficient charge percolation. This strategy achieves a high power factor of 382.60 μW m<sup>−1</sup> K<sup>−2</sup> while preserving film morphology, originating from the combined effects of crystallinity enhancement, interfacial energy filtering, and improved inter-domain connectivity. By clarifying the underlying mechanisms, this integrated approach with GQDs provides insights for rational electronic and microstructural design of polymer thin films toward high-performance organic thermoelectric devices.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"316 ","pages":"Article 118010"},"PeriodicalIF":4.6,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474407","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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