Pub Date : 2024-09-30DOI: 10.1016/j.synthmet.2024.117763
Shengna Liu , Baofeng Zhao , Weiping Wang , Liuchang Wang , Haimei Wu , Zhiyuan Cong , Guanghao Lu , Chao Gao
Polymer solar cells (PSCs) based on small molecules with twisted backbones as electron acceptors, have many advantages over their planar counterparts, such as upshifted molecular energy levels, better charge extraction performance, enhanced extinction coefficient, extended carrier lifetime and reduced recombination rate, which are very helpful in improving the power conversion efficiencies (PCE). The present study was designed to synthesize two new small molecules with main-chain twisted structures that include an asymmetric electron donor core thiophene-phenylene-thieno[3,2-b]thiophene, namely i-T-TT and i-T-TT-4F, to investigate the “structure-property” correlation of main-chain twisted acceptors. Both asymmetric molecules exhibit bent geometric structures, and the fluorinated acceptor i-T-TT-4F possesses a more red-shifted spectrum, improved molar extinction coefficient, and deepened molecular energy levels. As a result, when combined with the middle bandgap polymer donor J52, there was a remarkable efficiency of 12.22 % for the device of i-T-TT-4F, higher than that of i-T-TT (9.51 %). Our research illustrates the importance of the main-chain twisted asymmetric electron-donating core and fluorinated end-capping group in the construction of efficient PSCs.
{"title":"Asymmetric main-chain twisted small molecules for efficient polymer solar cells","authors":"Shengna Liu , Baofeng Zhao , Weiping Wang , Liuchang Wang , Haimei Wu , Zhiyuan Cong , Guanghao Lu , Chao Gao","doi":"10.1016/j.synthmet.2024.117763","DOIUrl":"10.1016/j.synthmet.2024.117763","url":null,"abstract":"<div><div>Polymer solar cells (PSCs) based on small molecules with twisted backbones as electron acceptors, have many advantages over their planar counterparts, such as upshifted molecular energy levels, better charge extraction performance, enhanced extinction coefficient, extended carrier lifetime and reduced recombination rate, which are very helpful in improving the power conversion efficiencies (PCE). The present study was designed to synthesize two new small molecules with main-chain twisted structures that include an asymmetric electron donor core thiophene-phenylene-thieno[3,2-<em>b</em>]thiophene, namely <strong>i-T-TT</strong> and <strong>i-T-TT-4F</strong>, to investigate the “structure-property” correlation of main-chain twisted acceptors. Both asymmetric molecules exhibit bent geometric structures, and the fluorinated acceptor <strong>i-T-TT-4F</strong> possesses a more red-shifted spectrum, improved molar extinction coefficient, and deepened molecular energy levels. As a result, when combined with the middle bandgap polymer donor J52, there was a remarkable efficiency of 12.22 % for the device of <strong>i-T-TT-4F</strong>, higher than that of <strong>i-T-TT</strong> (9.51 %). Our research illustrates the importance of the main-chain twisted asymmetric electron-donating core and fluorinated end-capping group in the construction of efficient PSCs.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117763"},"PeriodicalIF":4.0,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426302","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 : 2024-09-25DOI: 10.1101/2023.07.06.547922
Qiang Li, Vince D Calhoun, Tuan D Pham, Armin Iraji
Much of the complexity and diversity found in nature is driven by nonlinear phenomena, and this holds true for the brain. Nonlinear dynamics theory has been successfully utilized in explaining brain functions from a biophysics standpoint, and the field of statistical physics continues to make substantial progress in understanding brain connectivity and function. This study delves into complex brain functional connectivity using biophysical nonlinear dynamics approaches. We aim to uncover hidden information in high-dimensional and nonlinear neural signals, with the hope of providing a useful tool for analyzing information transitions in functionally complex networks. By utilizing phase portraits and fuzzy recurrence plots, we investigated the latent information in the functional connectivity of complex brain networks. Our numerical experiments, which include synthetic linear dynamics neural time series and a biophysically realistic neural mass model, showed that phase portraits and fuzzy recurrence plots are highly sensitive to changes in neural dynamics and can also be used to predict functional connectivity based on structural connectivity. Furthermore, the results showed that phase trajectories of neuronal activity encode low-dimensional dynamics, and the geometric properties of the limit-cycle attractor formed by the phase portraits can be used to explain the neurodynamics. Additionally, our results showed that the phase portrait and fuzzy recurrence plots can be used as functional connectivity descriptors, and both metrics were able to capture and explain nonlinear dynamics behavior during specific cognitive tasks. In conclusion, our findings suggest that phase portraits and fuzzy recurrence plots could be highly effective as functional connectivity descriptors, providing valuable insights into nonlinear dynamics in the brain.
{"title":"Exploring Nonlinear Dynamics In Brain Functionality Through Phase Portraits And Fuzzy Recurrence Plots.","authors":"Qiang Li, Vince D Calhoun, Tuan D Pham, Armin Iraji","doi":"10.1101/2023.07.06.547922","DOIUrl":"10.1101/2023.07.06.547922","url":null,"abstract":"<p><p>Much of the complexity and diversity found in nature is driven by nonlinear phenomena, and this holds true for the brain. Nonlinear dynamics theory has been successfully utilized in explaining brain functions from a biophysics standpoint, and the field of statistical physics continues to make substantial progress in understanding brain connectivity and function. This study delves into complex brain functional connectivity using biophysical nonlinear dynamics approaches. We aim to uncover hidden information in high-dimensional and nonlinear neural signals, with the hope of providing a useful tool for analyzing information transitions in functionally complex networks. By utilizing phase portraits and fuzzy recurrence plots, we investigated the latent information in the functional connectivity of complex brain networks. Our numerical experiments, which include synthetic linear dynamics neural time series and a biophysically realistic neural mass model, showed that phase portraits and fuzzy recurrence plots are highly sensitive to changes in neural dynamics and can also be used to predict functional connectivity based on structural connectivity. Furthermore, the results showed that phase trajectories of neuronal activity encode low-dimensional dynamics, and the geometric properties of the limit-cycle attractor formed by the phase portraits can be used to explain the neurodynamics. Additionally, our results showed that the phase portrait and fuzzy recurrence plots can be used as functional connectivity descriptors, and both metrics were able to capture and explain nonlinear dynamics behavior during specific cognitive tasks. In conclusion, our findings suggest that phase portraits and fuzzy recurrence plots could be highly effective as functional connectivity descriptors, providing valuable insights into nonlinear dynamics in the brain.</p>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"138 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10888921/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78199155","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 : 2024-09-24DOI: 10.1016/j.synthmet.2024.117758
Jabir H. Al-Fahemi , Kamal A. Soliman
The study investigates the structural and electronic properties of the B38 nanocage, focusing on its interaction with Li and Li⁺ ions for Li-ion batteries. The doping B38 with aluminum (Al) or nitrogen (N), and the encapsulation of halides (, , ) were studied. Structural optimization and geometry relaxation using DFT methods reveal that replacing a boron atom with Al or N leads to altered bond lengths, and charge distribution in the nanocage. The results reveal that doped B38 with positive Gibbs free energy of the cell (6.27 kcal/mol for AlB37, and 3.74 kcal/mol for B37N) and negative cell voltage (-0.27 V for AlB37, and −0.16 V for B37N) make electrochemical reaction is unfavorable under the current conditions. Encapsulation of halides showed promise in enhancing the cell voltage for Li-ion battery applications, with Li/-B38 (3.40 V), Li/-B38 (3.32 V), and with Li/-B38 achieving the highest cell potential of 3.49 V. Encapsulated nanocages exhibit changes in interaction energy values with Li/Li⁺, suggesting potential for use as anodes in Li-ion batteries.
{"title":"A comparative analysis of X-encapsulated (X= F−, Cl−, Br−) and doped B38 (Al or N atom) nanocages for lithium-ion Batteries","authors":"Jabir H. Al-Fahemi , Kamal A. Soliman","doi":"10.1016/j.synthmet.2024.117758","DOIUrl":"10.1016/j.synthmet.2024.117758","url":null,"abstract":"<div><div>The study investigates the structural and electronic properties of the B<sub>38</sub> nanocage, focusing on its interaction with Li and Li⁺ ions for Li-ion batteries. The doping B<sub>38</sub> with aluminum (Al) or nitrogen (N), and the encapsulation of halides (<span><math><msup><mrow><mi>F</mi></mrow><mrow><mo>−</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>Cl</mi></mrow><mrow><mo>−</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>Br</mi></mrow><mrow><mo>−</mo></mrow></msup></math></span>) were studied. Structural optimization and geometry relaxation using DFT methods reveal that replacing a boron atom with Al or N leads to altered bond lengths, and charge distribution in the nanocage. The results reveal that doped B38 with positive Gibbs free energy of the cell (6.27 kcal/mol for AlB<sub>37</sub>, and 3.74 kcal/mol for B<sub>37</sub>N) and negative cell voltage (-0.27 V for AlB<sub>37</sub>, and −0.16 V for B<sub>37</sub>N) make electrochemical reaction is unfavorable under the current conditions. Encapsulation of halides showed promise in enhancing the cell voltage for Li-ion battery applications, with Li/<span><math><msup><mrow><mi>Cl</mi></mrow><mrow><mo>−</mo></mrow></msup></math></span>-B<sub>38</sub> (3.40 V), Li/<span><math><msup><mrow><mi>Br</mi></mrow><mrow><mo>−</mo></mrow></msup></math></span>-B<sub>38</sub> (3.32 V), and with Li/<span><math><msup><mrow><mi>F</mi></mrow><mrow><mo>−</mo></mrow></msup></math></span>-B<sub>38</sub> achieving the highest cell potential of 3.49 V. Encapsulated nanocages exhibit changes in interaction energy values with Li/Li⁺, suggesting potential for use as anodes in Li-ion batteries.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117758"},"PeriodicalIF":4.0,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142327751","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 : 2024-09-24DOI: 10.1016/j.synthmet.2024.117759
Cem ADALI , Hilal GÜNSEL
Lithium-sulfur batteries are particularly noteworthy for applications requiring large capacity and long battery life. Transition metal oxides have emerged as polar host materials for lithium polysulfides to further modulate the bonding energy with polysulfides and increase the coupling density of the electrodes. Polar metal oxides naturally adsorb polysulfides on their hydrophilic surfaces. In this study, the polysulfide adsorbing ability of CuO against the shuttle effect is utilized. For this purpose, copper(II) oxide (CuO) is used as polysulfide adsorbent and CuO - reduced Graphene Oxide / Sulphur (CuO-rGO/S) hybrid composite buckypaper electrodes are produced as cathodes in Li-S batteries without using binders. In this work, optical, morphological and structural analyzes of composite films were carried out by Fourier transformed infrared spectroscopy (FT-IR), Raman spectroscopy, field emission gun scanning electron microscopy (FEG-SEM), energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Brunauer-Emmett-Teller (BET) analysis, respectively. After the CR2032 button cell was assembled using the produced cathode materials, cyclic voltammetry (CV), charge-discharge performance tests, rate capability and electrochemical impedance spectroscopy (EIS) analyzes were performed to investigate the Li-S battery capacities. With the CuO-rGO/S hybrid composite cathode containing 2 % CuO, a discharge capacity of 1205 mAh g−1 was obtained in the first cycle. At the end of the 1000 cycles, the discharge capacity of the cathode was achieved as high as 696 mAh g−1. As a result, the battery capacity of rGO/S-based composite electrodes has been improved by taking advantage of CuO added to the cathode structure to adsorb polysulfides.
锂硫电池在要求大容量和长寿命的应用中尤其值得关注。过渡金属氧化物已成为多硫化锂的极性宿主材料，可进一步调节与多硫化物的键能并提高电极的耦合密度。极性金属氧化物可在其亲水表面自然吸附多硫化物。本研究利用了 CuO 对多硫化物的吸附能力来对抗穿梭效应。为此，使用氧化铜（CuO）作为多硫化物吸附剂，并在不使用粘合剂的情况下，将氧化铜-还原氧化石墨烯/硫（CuO-rGO/S）复合降压纸电极制成锂-S 电池的阴极。在这项工作中，分别通过傅立叶变换红外光谱（FT-IR）、拉曼光谱、场发射枪扫描电子显微镜（FEG-SEM）、能量色散 X 射线光谱（EDS）、X 射线衍射（XRD）、X 射线光电子能谱（XPS）和布鲁瑙尔-艾美特-泰勒（BET）分析对复合薄膜进行了光学、形态和结构分析。使用所生产的阴极材料组装 CR2032 纽扣电池后，进行了循环伏安法（CV）、充放电性能测试、速率能力和电化学阻抗谱（EIS）分析，以研究锂-S 电池的容量。含 2% CuO 的 CuO-rGO/S 混合阴极在第一个循环中获得了 1205 mAh g-1 的放电容量。在 1000 个循环结束时，阴极的放电容量高达 696 mAh g-1。因此，通过在阴极结构中添加 CuO 以吸附多硫化物，rGO/S 基复合电极的电池容量得到了提高。
{"title":"Production of rGO based hybrid composite buckypaper cathodes by using copper oxide polysulfide adsorbent for Li-S batteries","authors":"Cem ADALI , Hilal GÜNSEL","doi":"10.1016/j.synthmet.2024.117759","DOIUrl":"10.1016/j.synthmet.2024.117759","url":null,"abstract":"<div><div>Lithium-sulfur batteries are particularly noteworthy for applications requiring large capacity and long battery life. Transition metal oxides have emerged as polar host materials for lithium polysulfides to further modulate the bonding energy with polysulfides and increase the coupling density of the electrodes. Polar metal oxides naturally adsorb polysulfides on their hydrophilic surfaces. In this study, the polysulfide adsorbing ability of CuO against the shuttle effect is utilized. For this purpose, copper(II) oxide (CuO) is used as polysulfide adsorbent and CuO - reduced Graphene Oxide / Sulphur (CuO-rGO/S) hybrid composite buckypaper electrodes are produced as cathodes in Li-S batteries without using binders. In this work, optical, morphological and structural analyzes of composite films were carried out by Fourier transformed infrared spectroscopy (FT-IR), Raman spectroscopy, field emission gun scanning electron microscopy (FEG-SEM), energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Brunauer-Emmett-Teller (BET) analysis, respectively. After the CR2032 button cell was assembled using the produced cathode materials, cyclic voltammetry (CV), charge-discharge performance tests, rate capability and electrochemical impedance spectroscopy (EIS) analyzes were performed to investigate the Li-S battery capacities. With the CuO-rGO/S hybrid composite cathode containing 2 % CuO, a discharge capacity of 1205 mAh g<sup>−1</sup> was obtained in the first cycle. At the end of the 1000 cycles, the discharge capacity of the cathode was achieved as high as 696 mAh g<sup>−1</sup>. As a result, the battery capacity of rGO/S-based composite electrodes has been improved by taking advantage of CuO added to the cathode structure to adsorb polysulfides.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117759"},"PeriodicalIF":4.0,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142324217","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 : 2024-09-24DOI: 10.1016/j.synthmet.2024.117760
Derya Güngördü Solğun, Mehmet Salih Ağırtaş
In this study, 3-(benzhydryloxy) propanoic acid (2) and bis –(3-(benzhydryloxy) propanoate) phthalocyaninato silicon (IV) (3) compounds were synthesized. Their compound structures were characterized with the help of IR, UV–visible, mass and 1H NMR spectroscopy. Aggregation and solubility of the compounds were tested. Finally, the metal sensor property of the axial phthalocyanine compound was investigated against Cu2+, Fe3+, Mg2+, Mn2+, Na+, Zn2+, Ag+, Ba2+, Cd2+ ions. It was determined that the compound was selectively sensitive to Fe3+. The optical detection of Fe3+ ions in the presence of Cu2+, Fe3+, Mg2+, Mn2+, Na+, Zn2+, Ag+, Ba2+, Cd2+ ions shows that this material can be used for easy and practical analysis.
{"title":"Sensor properties for Fe3+ and synthesis of new a bis –(3-(benzhydryloxy) propanoate) phthalocyaninato silicon (IV)","authors":"Derya Güngördü Solğun, Mehmet Salih Ağırtaş","doi":"10.1016/j.synthmet.2024.117760","DOIUrl":"10.1016/j.synthmet.2024.117760","url":null,"abstract":"<div><div>In this study, 3-(benzhydryloxy) propanoic acid (<strong>2</strong>) and bis –(3-(benzhydryloxy) propanoate) phthalocyaninato silicon (IV) (<strong>3</strong>) compounds were synthesized. Their compound structures were characterized with the help of IR, UV–visible, mass and <sup>1</sup>H NMR spectroscopy. Aggregation and solubility of the compounds were tested. Finally, the metal sensor property of the axial phthalocyanine compound was investigated against Cu<sup>2+</sup>, Fe<sup>3+</sup>, Mg<sup>2+</sup>, Mn<sup>2+</sup>, Na<sup>+</sup>, Zn<sup>2+</sup>, Ag<sup>+</sup>, Ba<sup>2+</sup>, Cd<sup>2+</sup> ions. It was determined that the compound was selectively sensitive to Fe<sup>3+</sup>. The optical detection of Fe<sup>3+</sup> ions in the presence of Cu<sup>2+</sup>, Fe<sup>3+</sup>, Mg<sup>2+</sup>, Mn<sup>2+</sup>, Na<sup>+</sup>, Zn<sup>2+</sup>, Ag<sup>+</sup>, Ba<sup>2+</sup>, Cd<sup>2+</sup> ions shows that this material can be used for easy and practical analysis.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117760"},"PeriodicalIF":4.0,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426301","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}
Environmental sustainability and energy availability are among the few challenges faced in the 21st century leading to the need for scalable, efficient and reliable energy storage and conversion systems. Among the renewable energy resources like solar, wind and tidal, electrochemical processes come as promising strategies due to their compatibility and efficiency, which could also address the challenges faced by conventional energy storage and conversion techniques in terms of both economic and environmental aspects. This review delves in the introduction of 2 dimensional material MXene while understanding the properties and synthesis techniques and their various applications in batteries, supercapacitors, fuels cells and electrolysers. It also explores how various MXenes derived from their respective MAX phase precursors acts electrode materials & electrocatalysts and how they influence the electrochemical activity. The review highlights the latest advancements of utilising MXene in upcoming technologies such as Direct Alcohol fuel cell (DAFC), supercapacitors, batteries as well as water electrolysers which have potential for large scale renewable energy storage and conversion applications.
{"title":"Prospects of MXene-based nanocomposites: Properties, synthesis techniques, and their applications in electrochemical energy conversion and storage devices","authors":"Asha Raveendran , Mijun Chandran , Ragupathy Dhanusuraman","doi":"10.1016/j.synthmet.2024.117756","DOIUrl":"10.1016/j.synthmet.2024.117756","url":null,"abstract":"<div><div>Environmental sustainability and energy availability are among the few challenges faced in the 21st century leading to the need for scalable, efficient and reliable energy storage and conversion systems. Among the renewable energy resources like solar, wind and tidal, electrochemical processes come as promising strategies due to their compatibility and efficiency, which could also address the challenges faced by conventional energy storage and conversion techniques in terms of both economic and environmental aspects. This review delves in the introduction of 2 dimensional material MXene while understanding the properties and synthesis techniques and their various applications in batteries, supercapacitors, fuels cells and electrolysers. It also explores how various MXenes derived from their respective MAX phase precursors acts electrode materials & electrocatalysts and how they influence the electrochemical activity. The review highlights the latest advancements of utilising MXene in upcoming technologies such as Direct Alcohol fuel cell (DAFC), supercapacitors, batteries as well as water electrolysers which have potential for large scale renewable energy storage and conversion applications.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117756"},"PeriodicalIF":4.0,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359133","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 : 2024-09-21DOI: 10.1016/j.synthmet.2024.117757
Shahid Iqbal , Firdous Bibi , Safaa S. Taha , Mohamed Mohany , Rashid Iqbal , Ambreen Kalsoom , Khursheed Ahmad , Adeel ahmed , Muhammad Jamshaid
In modern times, effective removal of pharmaceutical effluents from wastewater is considered an alarming issue. In our research efforts, we have synthesized NiO and graphitic carbon nitride (g-C3N4)-decorated ternary GdFeO3/NiO@g-C3N4 heterostructure nanocomposites (NCs) for the enhanced removal of tetracycline (TC) and ciprofloxacin (CIP) antibiotics from wastewater. The GdFeO3 nanoparticles (NPs) were fabricated using a facile one-pot hydrothermal approach and the ternary NCs via an ultra-sonication approach. The structural investigation of the as-fabricated materials revealed single-phase GdFeO3 and the effective fabrication of GdFeO3/NiO@g-C3N4 NCs. Morphological analysis exhibited a round, spherical flake-like structure with heterogeneous morphology. The BET and I-V analysis exhibited improved surface and electrical features and was observed to be 43, 87, and 117 m2/g and 6.51 10−4 S/m, 3.6710−2 S/m, and 84.81 S/m for GdFeO3 NPs, GdFeO3/NiO NPs, and GdFeO3/NiO@g-C3N4 NCs, respectively. A decline in the PL intensity was observed, which exhibited the excellent separation and stabilization of the photo-genic charge pair’s. Optical band gap energy for GdFeO3 NPs, GdFeO3/NiO NPs, and GdFeO3/NiO@g-C3N4 NCs was observed to be 2.34, 2.19, and 2.03 (eV), respectively. The GdFeO3/NiO@g-C3N4 NCs show excellent photo-degradation of CIP and TC antibiotics under visible light, achieving 92.42 % and 94.23 % in 45 min with 4.7 % and 5.1 % removal via adsorption. Reusability testing exhibited only 1.3 % loss in catalytic activities after 5 runs. The h+, •O2-, and the (•OH) radicals are the primarily involved in the photo-degradation of CIP and TC. The g-C3N4-based GdFeO3/NiO@g-C3N4 NCs with their highly conducting nature, the narrow band gap, improved electrical and optical properties, well-porous structures, and excellent photocatalytic activities against environmental pollutants might have advantageous applications in photo-catalysis.
{"title":"A versatile GdFeO3/NiO@g-C3N4 ternary hetero-structure photo catalyst for effective photo-degradation and adsorption of tetracycline and ciprofloxacin from wastewater","authors":"Shahid Iqbal , Firdous Bibi , Safaa S. Taha , Mohamed Mohany , Rashid Iqbal , Ambreen Kalsoom , Khursheed Ahmad , Adeel ahmed , Muhammad Jamshaid","doi":"10.1016/j.synthmet.2024.117757","DOIUrl":"10.1016/j.synthmet.2024.117757","url":null,"abstract":"<div><div>In modern times, effective removal of pharmaceutical effluents from wastewater is considered an alarming issue. In our research efforts, we have synthesized NiO and graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>)-decorated ternary GdFeO<sub>3</sub>/NiO@g-C<sub>3</sub>N<sub>4</sub> heterostructure nanocomposites (NCs) for the enhanced removal of tetracycline (TC) and ciprofloxacin (CIP) antibiotics from wastewater. The GdFeO<sub>3</sub> nanoparticles (NPs) were fabricated using a facile one-pot hydrothermal approach and the ternary NCs via an ultra-sonication approach. The structural investigation of the as-fabricated materials revealed single-phase GdFeO<sub>3</sub> and the effective fabrication of GdFeO<sub>3</sub>/NiO@g-C<sub>3</sub>N<sub>4</sub> NCs. Morphological analysis exhibited a round, spherical flake-like structure with heterogeneous morphology. The BET and I-V analysis exhibited improved surface and electrical features and was observed to be 43, 87, and 117 m<sup>2</sup>/g and 6.51 <span><math><mo>×</mo></math></span>10<sup>−4</sup> S/m, 3.67<span><math><mo>×</mo></math></span>10<sup>−2</sup> S/m, and 84.81 S/m for GdFeO<sub>3</sub> NPs, GdFeO<sub>3</sub>/NiO NPs, and GdFeO<sub>3</sub>/NiO@g-C<sub>3</sub>N<sub>4</sub> NCs, respectively. A decline in the PL intensity was observed, which exhibited the excellent separation and stabilization of the photo-genic charge pair’s. Optical band gap energy for GdFeO<sub>3</sub> NPs, GdFeO<sub>3</sub>/NiO NPs, and GdFeO<sub>3</sub>/NiO@g-C<sub>3</sub>N<sub>4</sub> NCs was observed to be 2.34, 2.19, and 2.03 (eV), respectively. The GdFeO<sub>3</sub>/NiO@g-C<sub>3</sub>N<sub>4</sub> NCs show excellent photo-degradation of CIP and TC antibiotics under visible light, achieving 92.42 % and 94.23 % in 45 min with 4.7 % and 5.1 % removal via adsorption. Reusability testing exhibited only 1.3 % loss in catalytic activities after 5 runs. The h<sup>+, •</sup>O<sub>2</sub><sup>-</sup>, and the (<sup>•</sup>OH) radicals are the primarily involved in the photo-degradation of CIP and TC. The g-C<sub>3</sub>N<sub>4</sub>-based GdFeO<sub>3</sub>/NiO@g-C<sub>3</sub>N<sub>4</sub> NCs with their highly conducting nature, the narrow band gap, improved electrical and optical properties, well-porous structures, and excellent photocatalytic activities against environmental pollutants might have advantageous applications in photo-catalysis.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117757"},"PeriodicalIF":4.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320424","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 : 2024-09-20DOI: 10.1016/j.synthmet.2024.117755
Ana L. Soares , Thiago N.M. Cervantes , Diogo S. Pellosi , Luís F. Marchesi , Frederico L.F. Soares , Marcio Vidotti
In this work poly(3,4-ethylenedioxythiophene) nanotubes (PEDOT-NTs) containing gold nanoparticles (AuNPs) were electrochemically synthesized and characterized in detail by using in situ Raman spectroelectrochemistry. Combining conducting polymers and metallic nanoparticles (AuNPs) enhanced conductivity and superficial area of PEDOT-NTs, key factors for electrochemical sensors. In order, to better understand the modified electrodes behavior, two different micropollutants, butylparaben and triclosan, were added onto the electrode surface and the spectroelectrochemical characterization was done. The Raman imaging showed that micropollutants adsorption increases the presence of partially oxidized segments in PEDOT nanotubes, showing that PEDOT-NTs/AuNPs modified electrodes has sensitivity to micropollutants presence. In this regard the electrochemical impedance spectroscopy characterization was performed and agrees with the spectroelectrochemical characterization results, in which the charge-transfer resistance increase proportionally with the micropollutants concentration. Therefore, the present work shows the potentiality of combining the unique characteristics of the PEDOT nanotubes decorated with AuNPs nanoparticles to develop devices for detection of organic molecules of environmental interest.
{"title":"Interfacial effects of gold on PEDOT nanotubes modified electrodes employed for the adsorption of micropollutants","authors":"Ana L. Soares , Thiago N.M. Cervantes , Diogo S. Pellosi , Luís F. Marchesi , Frederico L.F. Soares , Marcio Vidotti","doi":"10.1016/j.synthmet.2024.117755","DOIUrl":"10.1016/j.synthmet.2024.117755","url":null,"abstract":"<div><div>In this work poly(3,4-ethylenedioxythiophene) nanotubes (PEDOT-NTs) containing gold nanoparticles (AuNPs) were electrochemically synthesized and characterized in detail by using in situ Raman spectroelectrochemistry. Combining conducting polymers and metallic nanoparticles (AuNPs) enhanced conductivity and superficial area of PEDOT-NTs, key factors for electrochemical sensors. In order, to better understand the modified electrodes behavior, two different micropollutants, butylparaben and triclosan, were added onto the electrode surface and the spectroelectrochemical characterization was done. The Raman imaging showed that micropollutants adsorption increases the presence of partially oxidized segments in PEDOT nanotubes, showing that PEDOT-NTs/AuNPs modified electrodes has sensitivity to micropollutants presence. In this regard the electrochemical impedance spectroscopy characterization was performed and agrees with the spectroelectrochemical characterization results, in which the charge-transfer resistance increase proportionally with the micropollutants concentration. Therefore, the present work shows the potentiality of combining the unique characteristics of the PEDOT nanotubes decorated with AuNPs nanoparticles to develop devices for detection of organic molecules of environmental interest.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117755"},"PeriodicalIF":4.0,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312584","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 : 2024-09-18DOI: 10.1016/j.synthmet.2024.117754
Radhe Shyam , Takaaki Manaka , Rajiv Prakash
This study conducts a detailed exploration of how the orientation of molecules affects the efficiency of organic field-effect transistors (OFETs), with a particular focus on a new conjugated polymer, P4T2F-HD. The study examines the fabrication of both large-scale, anisotropically oriented thin films and non-oriented, isotropic thin films of P4T2F-HD through two separate approaches: the Unidirectional Film Transfer Method (UFTM) for oriented films and spin-coating for isotropic films. Results indicate that UFTM notably excels in directing the molecular alignment of P4T2F-HD across extensive areas, thereby creating anisotropic thin films, whereas spin-coating yields isotropic thin films lacking specific orientation. Further investigation into the properties of these films through various analytical techniques sheds light on the role of molecular orientation in influencing their electronic characteristics. OFETs fabricated with anisotropically oriented P4T2F-HD films exhibit markedly improved performance, characterized by higher charge carrier mobility and enhanced electrical stability, in comparison to their isotropic counterparts. The study evidences that the directional arrangement of macromolecules plays a pivotal role in OFETs functionality, with UFTM-derived films demonstrating a significant leap in field-effect mobility—showing an over 100-fold improvement over spin-coated films. This boost is linked to the effective charge transmission along the polymer chains, enabled by precise molecular alignment.
{"title":"Enhancement of organic field-effect transistor performance via precision molecular alignment of a P4T2F-HD-based conjugated polymer","authors":"Radhe Shyam , Takaaki Manaka , Rajiv Prakash","doi":"10.1016/j.synthmet.2024.117754","DOIUrl":"10.1016/j.synthmet.2024.117754","url":null,"abstract":"<div><div>This study conducts a detailed exploration of how the orientation of molecules affects the efficiency of organic field-effect transistors (OFETs), with a particular focus on a new conjugated polymer, P4T2F-HD. The study examines the fabrication of both large-scale, anisotropically oriented thin films and non-oriented, isotropic thin films of P4T2F-HD through two separate approaches: the Unidirectional Film Transfer Method (UFTM) for oriented films and spin-coating for isotropic films. Results indicate that UFTM notably excels in directing the molecular alignment of P4T2F-HD across extensive areas, thereby creating anisotropic thin films, whereas spin-coating yields isotropic thin films lacking specific orientation. Further investigation into the properties of these films through various analytical techniques sheds light on the role of molecular orientation in influencing their electronic characteristics. OFETs fabricated with anisotropically oriented P4T2F-HD films exhibit markedly improved performance, characterized by higher charge carrier mobility and enhanced electrical stability, in comparison to their isotropic counterparts. The study evidences that the directional arrangement of macromolecules plays a pivotal role in OFETs functionality, with UFTM-derived films demonstrating a significant leap in field-effect mobility—showing an over 100-fold improvement over spin-coated films. This boost is linked to the effective charge transmission along the polymer chains, enabled by precise molecular alignment.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117754"},"PeriodicalIF":4.0,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142315823","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}
Over the last decades, bacterial resistance has become one of the emerging health threats. Particularly dangerous are bacterial strains resistant to various antibacterial drugs. Herein, we modified graphene quantum dots (GQDs) to produce efficient photo-induced antibacterial agents. GQDs were modified with (a) ethylene-diamine (EDA), (b) with EDA and gold nanoparticles (AuNPs), and (c) 3-amino-1,2,4-triazole (TA) using carbodiimide coupling. Photo-induced antibacterial activity of modified GQDs was tested against 8 bacterial strains. Treatment with modified GQDs and blue light (wavelength of 470 nm) resulted in remarkable antibacterial activity with minimal inhibitory concentrations (MIC) of 7.81 µg mL−1 for K. pneumoniae and S. aureus and 3.9 µg mL−1 against MRSA and E. faecalis. Planar organization of GQDs functionalized with AuNPs allowed direct access of molecular oxygen to AuNPs leading to more efficient 1O2 production as well as the 1O2 production from excited GQDs. Thus, GQDs functionalized with AuNPs showed outstanding efficiency in the battle against several bacterial strains, particularly those that lead to nosocomial infections.
{"title":"Graphene quantum dots with covalently bonded gold nanoparticles winning the battle against methicillin-resistant Staphylococcus aureus under blue light","authors":"Sladjana Dorontic , Svetlana Jovanovic , Andjela Stefanovic , Dejan Kepic , Michelangelo Scopelliti , Gabriele Ciasca , Riccardo Di Santo , Danica Bajuk Bogdanovic , Olivera Markovic , Biljana Todorovic Markovic , Zoran Markovic","doi":"10.1016/j.synthmet.2024.117753","DOIUrl":"10.1016/j.synthmet.2024.117753","url":null,"abstract":"<div><p>Over the last decades, bacterial resistance has become one of the emerging health threats. Particularly dangerous are bacterial strains resistant to various antibacterial drugs. Herein, we modified graphene quantum dots (GQDs) to produce efficient photo-induced antibacterial agents. GQDs were modified with (a) ethylene-diamine (EDA), (b) with EDA and gold nanoparticles (AuNPs), and (c) 3-amino-1,2,4-triazole (TA) using carbodiimide coupling. Photo-induced antibacterial activity of modified GQDs was tested against 8 bacterial strains. Treatment with modified GQDs and blue light (wavelength of 470 nm) resulted in remarkable antibacterial activity with minimal inhibitory concentrations (MIC) of 7.81 µg mL<sup>−1</sup> for <em>K. pneumoniae</em> and <em>S. aureus</em> and 3.9 µg mL<sup>−1</sup> against MRSA and <em>E. faecalis</em>. Planar organization of GQDs functionalized with AuNPs allowed direct access of molecular oxygen to AuNPs leading to more efficient <sup>1</sup>O<sub>2</sub> production as well as the <sup>1</sup>O<sub>2</sub> production from excited GQDs. Thus, GQDs functionalized with AuNPs showed outstanding efficiency in the battle against several bacterial strains, particularly those that lead to nosocomial infections.</p></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117753"},"PeriodicalIF":4.0,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142241071","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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