Synthetic Metals最新文献

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Mechanochemical synthesis and characterization of poly[(aniline-co-N-(4-sulfophenyl) aniline] nanofibers and its nanocomposite with titanium dioxide nanoparticles and study of their efficiency in hybrid solar cell 聚[(苯胺-共-N-(4-磺酸苯基)苯胺]纳米纤维及其与二氧化钛纳米颗粒的纳米复合材料的机械化学合成、表征及其在混合太阳能电池中的效率研究
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-10-09 DOI: 10.1016/j.synthmet.2024.117767
Mazaher Yarmohamadi-Vasel , Ali Reza Modarresi-Alam , Meissam Noroozifar , Sahar Shabzendedar , Saeid Gholizadeh , Edris Valadbeigi
{"title":"Mechanochemical synthesis and characterization of poly[(aniline-co-N-(4-sulfophenyl) aniline] nanofibers and its nanocomposite with titanium dioxide nanoparticles and study of their efficiency in hybrid solar cell","authors":"Mazaher Yarmohamadi-Vasel ,&nbsp;Ali Reza Modarresi-Alam ,&nbsp;Meissam Noroozifar ,&nbsp;Sahar Shabzendedar ,&nbsp;Saeid Gholizadeh ,&nbsp;Edris Valadbeigi","doi":"10.1016/j.synthmet.2024.117767","DOIUrl":"10.1016/j.synthmet.2024.117767","url":null,"abstract":"<div><div>The advantages of polyaniline for application in new generation solar cells include its cost-effectiveness, environmentally friendly synthesis, remarkable stability, and the ability to modify the bandgap through the synthesis of its nanocomposites. But a challenge for its nanostructures is the limited solubility in non-toxic solvents, including water, which limits their processability in coating techniques. We overcame this challenge by synthesizing its copolymer with diphenylamine-4-sulfonate and its nanocomposite with titanium dioxide nanoparticles (TiO<sub>2</sub>NPs). So through a solid-state and template-free technique and using sodium diphenylamine-4-sulfonate, aniline hydrochloride salt, TiO<sub>2</sub>NPs, and FeCl<sub>3</sub>∙6 H<sub>2</sub>O as an oxidant, poly(N-(sulfophenyl)aniline) nanoflowers (<strong>PSANFLs</strong>), poly [(aniline-<em>co-N</em>-(4-sulfophenyl) aniline] nanofibers (<strong>PAPSANFs</strong>), poly(N-(sulfophenyl)aniline) nanofibers/titanium dioxide nanoparticles (<strong>PSANFs/TiO</strong><sub><strong>2</strong></sub><strong>NPs</strong>), and poly (aniline-<em>co-N</em>-(4-sulfophenyl)aniline nanofibers/titanium dioxide nanoparticles (<strong>PAPSANFs/TiO</strong><sub><strong>2</strong></sub><strong>NPs</strong>) were synthesized. Characterization of the synthesized samples was carried out through field emission scanning electron microscopy (FE-SEM), Fourier-transform infrared spectra, ultraviolet-visible spectra (UV-Vis), cyclic voltammetry (CV), and elemental analysis (CHNS). The FE-SEM images clearly illustrate that the synthesized samples are of nanoscale dimensions. The band gap values of 2.23 eV for <strong>PSANFs/TiO</strong><sub><strong>2</strong></sub><strong>NPs</strong> and 1.96 eV for <strong>PAPSANFs/TiO</strong><sub><strong>2</strong></sub><strong>NPs</strong> nanocomposites were determined through electrochemical calculations based on cyclic voltammetry curves, showcasing the complementary properties of n and p semiconductors. Using doctor blade method to prepare films from synthesized materials and the architectural pattern of <strong>ITO│TiO</strong><sub><strong>2</strong></sub><strong>NPs│semiconductor sample│Al</strong>, all hybrid solar cells are fabricated. The I-V characteristics and power conversion efficiency (PCE) of the samples were examined and discussed. The PCE values for the four samples were found to be in the range of 0.20–0.82 %.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117767"},"PeriodicalIF":4.0,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434265","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}
引用次数: 0
Catalytic competence of gold clusters decorated yellow 2 G polymer composite film for voltammetric sensing of dopamine and nicotine in biological fluids 装饰有黄色 2 G 聚合物复合膜的金簇的催化能力,用于生物液体中多巴胺和尼古丁的伏安法检测
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-10-09 DOI: 10.1016/j.synthmet.2024.117765
Lokman Liv
{"title":"Catalytic competence of gold clusters decorated yellow 2 G polymer composite film for voltammetric sensing of dopamine and nicotine in biological fluids","authors":"Lokman Liv","doi":"10.1016/j.synthmet.2024.117765","DOIUrl":"10.1016/j.synthmet.2024.117765","url":null,"abstract":"<div><div>A novel, simple, cost-effective, easy-to-prepare, and timesaving electrochemical sensor based on gold clusters decorated yellow 2 G polymer composite film was fabricated and comprehensively characterized for the determination of dopamine and nicotine in real samples. When gold clusters were modified on the yellow 2 G polymer film, a signal increase of 204 % for dopamine and 526 % for nicotine was obtained compared to the activated bare pencil graphite electrode. The signals at 90 mV for dopamine and 780 mV for nicotine were utilized as analytical responses. The fabricated platform serves noteworthy detection sensitivity values of 79.02<span><math><mrow><mspace></mspace><mi>μ</mi><mi>A</mi><mo>.</mo><msup><mrow><mi>μ</mi><mi>M</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup><mo>.</mo><msup><mrow><mi>cm</mi></mrow><mrow><mo>−</mo><mn>2</mn></mrow></msup></mrow></math></span> and 14.61<span><math><mrow><mspace></mspace><mi>μ</mi><mi>A</mi><mo>.</mo><msup><mrow><mi>μ</mi><mi>M</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup><mo>.</mo><msup><mrow><mi>cm</mi></mrow><mrow><mo>−</mo><mn>2</mn></mrow></msup></mrow></math></span> with a notable limit of detection values of 58.8 nM and 7.2 nM for dopamine and nicotine, respectively. The electrochemical method has linear ranges of 0.075–5 µM and 6–10 µM for dopamine alone, 0.01–10 µM and 12–25 µM for nicotine alone, 0.01–10 µM and 12–50 µM for nicotine in the presence of dopamine, 0.2–10 µM and 12–60 µM for dopamine in the presence of nicotine, and 0.4–2, 2–10 and 12–90 µM for dopamine and 0.2–8, 10–20 and 25–90 µM for nicotine at the increasing amounts of each substance. Moving forward, the developed method exhibits splendid accuracy and selectivity for determining dopamine and nicotine in biological samples of human saliva, serum, and urine.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117765"},"PeriodicalIF":4.0,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434263","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}
引用次数: 0
Unveiling the ligand effects on Pt(Ⅱ) carbene complexes for rapid, efficient and narrow-spectra blue phosphorescence 揭示配体对 Pt(Ⅱ)碳烯配合物快速、高效和窄谱蓝色磷光的影响
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-10-02 DOI: 10.1016/j.synthmet.2024.117761
Zhenchun Li , Yu Chang , Xiang Li , Junjie Lin , Wenhuan Wang , Qinghua Xia , Longfei Ruan , Cong Zhang , Xiao-Chun Hang
{"title":"Unveiling the ligand effects on Pt(Ⅱ) carbene complexes for rapid, efficient and narrow-spectra blue phosphorescence","authors":"Zhenchun Li ,&nbsp;Yu Chang ,&nbsp;Xiang Li ,&nbsp;Junjie Lin ,&nbsp;Wenhuan Wang ,&nbsp;Qinghua Xia ,&nbsp;Longfei Ruan ,&nbsp;Cong Zhang ,&nbsp;Xiao-Chun Hang","doi":"10.1016/j.synthmet.2024.117761","DOIUrl":"10.1016/j.synthmet.2024.117761","url":null,"abstract":"<div><div>Tetradentate Pt(II) complexes, comprising of benzoimidazolyl N-heterocyclic carbene (BI-NHC) coordination, have shown superior performance in blue phosphorescent organic light-emitting diodes (PhOLEDs). Here, four frame-structured complexes were synthesized to explore the intrinsic ligand effect for rapid, efficient and narrow-spectra blue phosphorescence through experimental analyses and theoretical calculations. We found carbazolylpridine (CzPy) chelating part in Pt(II) BI-NHC complexes dominates the phosphorescence with the suppression of metal-centered transition and electron-vibration coupling. Consequently, the CzPy chelated complexes (<strong>PtN-dip</strong> and <strong>PtN-dtb</strong>) achieved high luminescent efficiency, rapid radiative decay rate (<em>k</em><sub>r</sub>) and narrow emission spectra. The peripheral substituent 2,6-di-<em>iso</em>-propylphenyl (dip) on NHC of <strong>PtN-dip</strong> constrains the molecule, significantly reducing the non-radiative decay rate (<em>k</em><sub>nr</sub>) and enhancing the efficiency. The 3,5-di-<em>tert</em>-butylphenyl (dtb) in <strong>PtN-dtb</strong> could enhances low-frequency vibration coupling that could expedite the excitons decay, resulting in higher <em>k</em><sub>r</sub> and <em>k</em><sub>nr</sub>. This work unveils the intrinsic factors behind the ligand effects of Pt(II) BI-NHC based complexes, leading to a rapid, efficient and narrow-spectra phosphorescence.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117761"},"PeriodicalIF":4.0,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426334","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}
引用次数: 0
The use of low-frequency current fluctuations in measuring the mobility of holes in the MEH-PPV polymer 利用低频电流波动测量 MEH-PPV 聚合物中空穴的迁移率
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-10-02 DOI: 10.1016/j.synthmet.2024.117764
Jiří Toušek , Jana Toušková , Ivo Křivka , Bita Ghasemi , Ivo Kuřitka , Pavel Urbánek
{"title":"The use of low-frequency current fluctuations in measuring the mobility of holes in the MEH-PPV polymer","authors":"Jiří Toušek ,&nbsp;Jana Toušková ,&nbsp;Ivo Křivka ,&nbsp;Bita Ghasemi ,&nbsp;Ivo Kuřitka ,&nbsp;Pavel Urbánek","doi":"10.1016/j.synthmet.2024.117764","DOIUrl":"10.1016/j.synthmet.2024.117764","url":null,"abstract":"<div><div>A diagnostic method based on the evaluation of low-frequency current fluctuation spectra is presented. When measuring the current through a p-type MEH-PPV sample, the occurrence of fluctuation is observable which can be measured with an AC amplifier. A model has been proposed that proves that the fluctuations originate from the interaction between the valence band and the band gap traps. The mean value of the amplitudes of these fluctuations increases linearly with decreasing frequency with a slope from which the product of mobility and lifetime of current carriers <em>µ</em><sub><em>p</em></sub><em>τ</em><sub><em>p</em></sub> <em>=</em> (9 ± 3) × 10<sup>−15</sup> cm<sup>2</sup>V<sup>−1</sup> was obtained. The hole lifetime of (0.27 ± 0.01) ns was evaluated from the luminescence relaxation using the time-correlated single photon counting (TCSPC) technique. The mobility value (3 ± 1) × 10<sup>−5</sup> cm<sup>2</sup> V<sup>−1</sup>s<sup>−1</sup> calculated using the above methods was compared with the mobility 1.8 × 10<sup>−5</sup> cm<sup>2</sup> V<sup>−1</sup>s<sup>−1</sup> determined by the CELIV method (Charge extraction by linearly increasing voltage) and good agreement was obtained.</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117764"},"PeriodicalIF":4.0,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426386","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}
引用次数: 0
New blue emitters based on anthracene through charge transfer control 通过电荷转移控制实现基于蒽的新型蓝色发光体
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-09-30 DOI: 10.1016/j.synthmet.2024.117762
Changmin Lee , Sangwook Park , Hyukmin Kwon , Kiho Lee , Hayoon Lee , Seokwoo Kang , Dongmin Park , Jongwook Park
{"title":"New blue emitters based on anthracene through charge transfer control","authors":"Changmin Lee ,&nbsp;Sangwook Park ,&nbsp;Hyukmin Kwon ,&nbsp;Kiho Lee ,&nbsp;Hayoon Lee ,&nbsp;Seokwoo Kang ,&nbsp;Dongmin Park ,&nbsp;Jongwook Park","doi":"10.1016/j.synthmet.2024.117762","DOIUrl":"10.1016/j.synthmet.2024.117762","url":null,"abstract":"<div><div>We designed new moieties with varying electron-donating effects and sizes based on diphenylamine and introduced them into anthracene to synthesize three types of emitting materials. All three materials exhibited high thermal stability with glass transition temperatures above 175°C, confirming their potential as OLED emitters. Devices doped with N<sub>9</sub>,N<sub>9</sub>,N<sub>10</sub>,N<sub>10</sub>-tetraphenylanthracene-9,10-diamine (TAD), where diphenyl amine is substituted on both sides, and N<sub>9</sub>,N<sub>10</sub>-di([1,1′-biphenyl]-4-yl)-N<sub>9</sub>,N<sub>10</sub>-bis(dibenzo[<em>b</em>,<em>d</em>]furan-2-yl)anthracene-9,10 diamine (ABFA), with a fused side group of diphenyl amine and dibenzofuran, showed EQEs of 1.28 % and 3.57 % respectively. Due to the intramolecular charge transfer (ICT), they exhibited EL<sub>max</sub> values at 517 nm and 538 nm. On the other hand, the device doped with N,N′-(anthracene-9,10-diylbis(4,1-phenylene))bis(N-([1,1′-biphenyl]-4-yl)dibenzo[<em>b</em>,<em>d</em>]furan-2-amine) (APBFA), which has optimized side groups that suppress ICT and intermolecular packing, achieved a relatively high EQE of 4.48 % and showed blue emission with CIE coordinates of (0.146, 0.142).</div></div>","PeriodicalId":22245,"journal":{"name":"Synthetic Metals","volume":"309 ","pages":"Article 117762"},"PeriodicalIF":4.0,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426333","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}
引用次数: 0
Asymmetric main-chain twisted small molecules for efficient polymer solar cells 用于高效聚合物太阳能电池的不对称主链扭曲小分子
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-09-30 DOI: 10.1016/j.synthmet.2024.117763
Shengna Liu , Baofeng Zhao , Weiping Wang , Liuchang Wang , Haimei Wu , Zhiyuan Cong , Guanghao Lu , Chao Gao
{"title":"Asymmetric main-chain twisted small molecules for efficient polymer solar cells","authors":"Shengna Liu ,&nbsp;Baofeng Zhao ,&nbsp;Weiping Wang ,&nbsp;Liuchang Wang ,&nbsp;Haimei Wu ,&nbsp;Zhiyuan Cong ,&nbsp;Guanghao Lu ,&nbsp;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}
引用次数: 0
Exploring Nonlinear Dynamics In Brain Functionality Through Phase Portraits And Fuzzy Recurrence Plots. 通过相位肖像和模糊递推图探索大脑功能的非线性动态变化
3区 材料科学
Synthetic Metals Pub Date : 2024-09-25 DOI: 10.1101/2023.07.06.547922
Qiang Li, Vince D Calhoun, Tuan D Pham, Armin Iraji
{"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}
引用次数: 0
A comparative analysis of X-encapsulated (X= F−, Cl−, Br−) and doped B38 (Al or N atom) nanocages for lithium-ion Batteries 用于锂离子电池的 X 封装(X= F-、Cl-、Br-)和掺杂 B38(Al 或 N 原子)纳米笼的比较分析
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-09-24 DOI: 10.1016/j.synthmet.2024.117758
Jabir H. Al-Fahemi , Kamal A. Soliman
{"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 ,&nbsp;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}
引用次数: 0
Production of rGO based hybrid composite buckypaper cathodes by using copper oxide polysulfide adsorbent for Li-S batteries 利用多硫化氧化铜吸附剂为锂-S 电池生产基于 rGO 的混合复合降压纸阴极
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-09-24 DOI: 10.1016/j.synthmet.2024.117759
Cem ADALI , Hilal GÜNSEL
{"title":"Production of rGO based hybrid composite buckypaper cathodes by using copper oxide polysulfide adsorbent for Li-S batteries","authors":"Cem ADALI ,&nbsp;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}
引用次数: 0
Sensor properties for Fe3+ and synthesis of new a bis –(3-(benzhydryloxy) propanoate) phthalocyaninato silicon (IV) Fe3+ 的传感器特性和新型双-(3-(苯甲酰氧基)丙酸)酞菁硅 (IV) 的合成
IF 4 3区 材料科学
Synthetic Metals Pub Date : 2024-09-24 DOI: 10.1016/j.synthmet.2024.117760
Derya Güngördü Solğun, Mehmet Salih Ağırtaş
{"title":"Sensor properties for Fe3+ and synthesis of new a bis –(3-(benzhydryloxy) propanoate) phthalocyaninato silicon (IV)","authors":"Derya Güngördü Solğun,&nbsp;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}
引用次数: 0
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