Ionics最新文献

{"title":"Leveraging the properties of pyridine derivatives using DFT analysis to achieve breakthroughs in supercapacitance advancements","authors":"A. Amala Jeya Ranchani,&nbsp;V. S. Jeba Reeda,&nbsp;P. Divya,&nbsp;R. Suja,&nbsp;V. Bena Jothy","doi":"10.1007/s11581-024-05736-6","DOIUrl":"10.1007/s11581-024-05736-6","url":null,"abstract":"<div><p>Using non-renewable resources in energy storage has spurred the development of supercapacitors, widely applied in electric vehicles and portable electronic devices for their swift charge–discharge cycles and high-power density. Depending on their materials and energy-storage methods, supercapacitors are classified as either electrochemical double-layer capacitors or pseudocapacitors. This study synthesizes a bis(dimethyl pyridine oxalic acid)oxalate (BDPO) and evaluates its electrochemical properties through impedance analysis. The results reveal promising performance, with specific capacitance values peaking at 330.52 g/F. Scan rate optimization at 0.05 V/s proves crucial for the supercapacitor system’s highest efficient charge storage capacity. Additionally, structural confirmational analysis is done by optimized geometry, NMR analysis, and vibrational analysis also interactions are confirmed through ELF, LOL, AIM, and NBO analysis. Following an NBO assessment, crucial donor–acceptor interactions were examined. Notably, with stabilization energies of 33.36, 22.59, 10.24, 3.24, 1.73, 1.18, and 1.09 kcal/mol are caused by hyperconjugative contacts in lone pair LP (O₃₅) → σ*(N₁₄—H₁₅), LP (O₄₁) → σ*(N₂₉—H₄₂), LP (O₄₀) → σ*(O₃₃—H₃₄), LP (O₄₃) → σ*(C₁—H₂), LP (O₄₈) → σ*(C₈—H₉), LP (O₃₆) → σ*(C₂₅—H₂₈), LP (O₄₃) → σ*(C₁₆—H₁₇) significantly influenced various topological analyses, including AIM, ELF, LOL, RDG, and IGM, producing favorable outcomes.</p></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141883244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of electrochemical, structural, electronic, thermodynamic, and optical properties of LiTi2O4 cathode material for Li-ion battery: an Ab Initio calculations","authors":"A. Erraji,&nbsp;R. Masrour,&nbsp;L. Xu","doi":"10.1007/s11581-024-05744-6","DOIUrl":"10.1007/s11581-024-05744-6","url":null,"abstract":"<div><p>In this research, we have conducted an in-depth investigation into the structural, electronic characteristics, and thermodynamic properties of the LiTi₂O₄ compound using first-principles calculations grounded in density functional theory with the generalized gradient approximation. Our findings reveal that the LiTi₂O₄ compound possesses a calculated lattice constant of 8.407 Å. Furthermore, we have derived critical battery-related properties, including an average voltage of 1.53 V versus Li/Li⁺ and an energy density of 245 Wh/kg. To deepen our understanding of LiTi₂O₄, we have explored its thermodynamic properties employing the quasi-harmonic Debye model. These properties encompass the Debye temperature, volume variation, compressibility modulus, specific capacity, and thermal capacity. Importantly, we have observed that the Debye stiffness of LiTi₂O₄ increases with rising pressure. Moreover, we have conducted measurements to assess various optical properties of the LiTi₂O₄ compound. These properties include the absorption coefficient, photoconductivity, and reflectivity.</p></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141883242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MWCNT-infused polyaniline composite–based bipolar plates for proton exchange membrane fuel cells fabricated via 3D printing","authors":"Dinesh Kumar Madheswaran,&nbsp;Praveenkumar Thangavelu","doi":"10.1007/s11581-024-05743-7","DOIUrl":"10.1007/s11581-024-05743-7","url":null,"abstract":"<div><p>This study investigates twin screw extruded multi-walled carbon nanotube (MWCNT)–infused polyaniline (PANI) composite–based bipolar plates (BPPs) for proton exchange membrane fuel cells (PEMFCs) fabricated via fused deposition modelling (FDM). The 3D-printed composite plates with varying MWCNT proportions (5–30 wt%) were subjected to extensive characterization, including morphological study, thermal, mechanical, electrochemical corrosion, and electrical characteristics analysis. The plates with 25 wt% MWCNT (MWCNT₂₅-PANI₇₅) outperformed the US Department of Energy (US DoE) objectives with their high mechanical strengths exceeding 40 MPa and high thermal conductivity of 20.29 W/mK at 80 °C. Corrosion analysis showed that MWCNT₂₅-PANI₇₅ substantially improved corrosion resistance with a corrosion potential (<i>E</i>_corr) of − 152.60 mV, a corrosion current density (<i>I</i>_corr) of 0.19 µA/cm², and a protection efficiency (<i>P.E.</i>) of 97.29%. However, the MWCNT₂₅-PANI₇₅ plate is deficient in electrical properties, with an in-plane conductivity exhibited at 80.15 S/cm, which falls short of the DoE objective of 100 S/cm, demonstrating the difficulties of combining conductivity optimization with other factors. In a single-cell PEMFC system, MWCNT₂₅-PANI₇₅ achieved power densities of 533.91 mW/cm², demonstrating its practicability. Further research is called for to enhance conductivity through covalent functionalization of MWCNTs, aiming to meet the US DoE targets and improve overall efficiency.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-performance asymmetric supercapacitor electrode materials NiCo2S4@NiCo-LDH@Ni foam","authors":"Yan Gu,&nbsp;Bingyan Du,&nbsp;Yifan Bai,&nbsp;Lu Yang,&nbsp;Yunpeng Wang,&nbsp;XuanLin Li,&nbsp;XiaoShan Liu","doi":"10.1007/s11581-024-05739-3","DOIUrl":"10.1007/s11581-024-05739-3","url":null,"abstract":"<div><p>Composite electrode materials often have excellent electrochemical properties; however, their preparation often requires multiple steps. Therefore, to further reduce the time and preparation cost, a NiCo₂S₄@NiCo-layered double hydroxide (NiCo-LDH) composite electrode material was prepared by a one-step method in this study. In the three-electrode system, the specific capacitance was 7462.5 mF cm⁻² at a current density of 5 mA cm⁻². Moreover, the specific capacitance was maintained at 78.4% after 6000 cycles. To further verify its practical application, we assembled an asymmetric supercapacitor using activated carbon as the anode material and NiCo₂S₄@NiCo-LDH as the positive material. The results show that the capacity of the device can still be maintained at 80% of its original capacity after 5000 cycles. This shows that the NiCo₂S₄@NiCo-LDH@NF electrode material has good application prospects.</p></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A free-standing CaO infused PVdF-HFP/PMMA polymer-nanocomposite as solid-state electrolytes for energy storage applications","authors":"Vijaya B,&nbsp;Usha Rani M","doi":"10.1007/s11581-024-05738-4","DOIUrl":"10.1007/s11581-024-05738-4","url":null,"abstract":"<div><p>Energy storage devices play a crucial role in all kinds of electronic devices. Rechargeable lithium-ion batteries have run across problems such as energy density, toughness, and safety. In order to conquer these hindrances, in this work, a novel solid-state polymer electrolyte for lithium-ion batteries was synthesized by blending polymethyl methacrylate (PMMA) in poly (vinylidene fluoride-co-hexafluoropropylene) (PVdF-HFP) with constant weight percent of ethylene carbonate (EC) and lithium bis (trifluoro methane sulfonyl) imide (LiTFSI), and different concentrations of calcium oxide (CaO). The composite polymer electrolytes (CPEs) (PVdF-HFP:PMMA:LiTFSI:EC:CaO) were fabricated using the solution casting technique. Powder XRD reveals enhancement in intensity with increasing CaO content. FTIR shows the interaction between the polymer-salt matrix. Among the analyzed films, PVdF-HFP:PMMA:LiTFSI:EC:CaO (10 wt.%) exhibits high ionic conductivity (10^–4 S/cm) and good electrochemical (4 V) and thermal stability (350℃) which makes it suitable for solid-state electrolyte as a separator in energy storage applications.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical performance of SnO2 after blending with Cu","authors":"Naveen Chandra Joshi,&nbsp;Prateek Gururani,&nbsp;Niraj Kumar","doi":"10.1007/s11581-024-05742-8","DOIUrl":"10.1007/s11581-024-05742-8","url":null,"abstract":"<div><p>In this work, SnO₂ nanoparticles (SnO₂ NPs) were synthesised using a leaf extract from <i>Shorea robusta</i>. The synthetic method was found to be reliable, cost-effective, and efficient. The synthesised SnO₂ NPs have been incorporated with copper (Cu) and used as an electrode material for supercapacitors (SCs). The potential of SnO₂ and its nanocomposite for SCs was investigated using various electrochemical parameters. At a current density of 2 A/g, the maximum specific capacitance of SnO₂@Cu-A, SnO₂@Cu-B, and SnO₂@Cu-C was found to be 220, 226, and 300 F/g. The maximum energy density of 11.1 Wh/kg for SnO₂@Cu-C has been evaluated at a power density of 1021.3 W/kg. After 5000 GCD cycles, a retention of 96.8% was found for SnO₂@Cu-C. Under two electrode systems, a retention of 95.4% was found for SnO₂@Cu-C.</p></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient electrochemical hydrogen peroxide production enabled by defect engineering of epoxy-rich carbon materials","authors":"Yijian Liu,&nbsp;Lang Gan","doi":"10.1007/s11581-024-05741-9","DOIUrl":"10.1007/s11581-024-05741-9","url":null,"abstract":"<div><p>Introducing oxygenated species into carbon-based catalysts is an efficient method to enhance the activity of electrochemical hydrogen peroxide (H₂O₂) production. Here, we report a low-temperature plasma strategy for preparing carbon materials rich in epoxy groups. This catalyst exhibits effective electrocatalytic activity, achieving H₂O₂ selectivity over 90% and a Faraday efficiency of 94.9% after 12 h of constant H₂O₂ production. The exceptional electrochemical activity is attributed to the epoxy group species, which are formed through the reaction between carbon defects and oxygen. This work offers an effective approach for preparing carbon-based catalysts for H₂O₂ production and provides insights into the impact of oxygenated species on the activity for H₂O₂ generation.</p></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of cadmium gallate nanoparticles on the cathode of microbial fuel cells for enhanced bioelectricity production","authors":"Mohit Sahni,&nbsp;Ankit Kumar,&nbsp;Pankaj Gupta,&nbsp;Azmat Ali Khan,&nbsp;Abhilasha Singh Mathuriya,&nbsp;Soumya Pandit,&nbsp;Kuldeep Sharma,&nbsp;Amit Roy,&nbsp;Nishant Ranjan,&nbsp;M. Z. A. Yahya,&nbsp;I. M. Noor","doi":"10.1007/s11581-024-05727-7","DOIUrl":"10.1007/s11581-024-05727-7","url":null,"abstract":"<div><p>Bringing microbial fuel cells (MFCs) to market requires the use of non-precious metal catalysts. Therefore, we replaced the platinum (Pt) cathode with more cost-effective cadmium gallate (CdGa2O4) nanoparticles in the present research. The synthesis and characterization of cadmium gallate (CdGa₂O₄), and further its application as a cathode catalyst for oxygen reduction reaction (ORR) in a MFC. The physiochemical characterization indicates a high ORR property of CdGa₂O₄, attributed to the presence of active sites, high electronic conductivity, and high surface area. These features enhanced the bioelectricity production with simultaneous wastewater treatment which resulted into comparable performances to catalysts such as platinum (Pt). The electrochemical analysis shows that the loading rate of CdGa₂O₄ has a significant impact on the power output of the MFC. The highest volumetric power density was observed in CdGa₂O₄ with a loading of 1 mg/cm³ (8.2 W/m³). COD removal efficiency also showed a similar trend with respect to different loading rates. 1 mg/cm³ of CdGa₂O₄ showed the highest COD removal and Columbic efficiency of 83.8% and 11.7%, respectively. The low cost-to-performance ratio, high ORR activity, and high electric conductivity of CdGa₂O₄ prove that CdGa₂O₄ is a feasible substitute for Pt in large-scale operations of MFC.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and characterization of ZnO-NiO nanocomposites for photocatalytic and electrochemical storage applications","authors":"S. Gnanam, R. K. Shynu, J. Gajendiran, J. Ramana Ramya, G. Thennarasu, K. Thanigai Arul, S. Gokul Raj, G. Ramesh Kumar","doi":"10.1007/s11581-024-05728-6","DOIUrl":"https://doi.org/10.1007/s11581-024-05728-6","url":null,"abstract":"<p>Three different ionic surfactants (CTAB, SDS, and PEG) were capped synthesized ZnO-NiO nanocomposites via co-precipitation method. The primary goal of the present work is tuning the crystallite size, morphology, particle size, energy gap, and luminescence of ZnO-NiO nanocomposites under the influence of surfactant agents through powder XRD, SEM, UV–visible, and fluorescence measurements. The bi-phase crystalline structure has been identified in synthesized ZnO-NiO samples with the assistance of powder XRD analysis. The TEM image of the CTAB-capped ZnO-NiO composite revealed a uniformly dispersed spherical-like structure of the particles. Further, formations of zinc oxide–nickel oxide have also been supported by the EDX study. The optical band gap values are relatively higher (3.17 eV) in CTAB-capped ZnO-NiO composites than SDS-capped (3.12 eV), and PEG-capped (3.10 eV) through identified as UV–visible spectra. From the fluorescence spectra, strong visible emission peaks were detected at 632 nm in all synthesized ZnO-NiO nanocomposites. The second aim of the present work, in terms of the better size and optical properties of CTAB-capped ZnO-NiO composites, has been taken to further investigate photocatalytic and electrochemical properties through photocatalytic experiments and cyclic voltammetry measurements. Orange Gelb (OG), Amidoblack 10B (AB10B), and Direct Blue 71 (DB71) dyes, along with CTAB-capped ZnO-NiO nanocomposites, were employed as photocatalyst in a photocatalytic experiment under visible light illumination to test the photodegradation efficiency. Photodegradation efficiency of AB10B to be 99.145% is relatively higher than 95.92% (OG) and 94.88% (DB71) which is due to the photo absorption wavelengths of the chromophore and aromatic part of the dyes. In addition, the electrochemical oxidation peaks, current response, and corresponding potential of CTAB-capped ZnO-NiO were shifted under the influence of various scan rates using cyclic voltammetry (CV) analysis, which exhibits pseudocapacitance behavior. This work will pave the way for the synthesized sample’s use in waste-water treatment and supercapacitor applications.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mesoporous ZrO2/C and ZnO/C nanocomposites derived from MOFs for SPEEK-based proton exchange membrane","authors":"Letícia G. da Trindade,&nbsp;Letícia Zanchet,&nbsp;Josiane C. Souza,&nbsp;Antonio C. Roveda Jr,&nbsp;Robert Paiva,&nbsp;Tatiana Zanette,&nbsp;Katia Bernardo-Gusmão,&nbsp;Emilse M. A. Martini,&nbsp;Elson Longo,&nbsp;Edson A. Ticianelli","doi":"10.1007/s11581-024-05730-y","DOIUrl":"10.1007/s11581-024-05730-y","url":null,"abstract":"<div><p>The metal–organic framework (MOF) incorporation in sulfonated poly(ether ketone) (SPEEK) membranes improves the performance of proton exchange membrane fuel cells (PEMFC) that use this filler in the electrolyte. Mesoporous ZrO₂/C and ZnO/C nanocomposites derived from the respective MOFs, Zr-BDC-MOF and Zn-BDC-MOF, were used as fillers in SPEEK to determine the influence of the metal (Zr or Zn) and ligand (terephthalic acid (BDC) or carbon (C)) on the proton conductivity and oxidative stability of proton exchange membranes (PEMs). At a temperature of 100 °C, the results show that adding 7 wt% of Zr-BDC-MOF to SPEEK resulted in 2.5-fold higher proton conductivity than pristine SPEEK. However, water uptake and oxidative stability studies reveal that this membrane loses its chemical stability. The data set shows that the inclusion of 7 wt% ZrO₂/C to SZrC(7) membrane resulted in the best proton conductivity, ca. 2.2-fold higher than SPEEK at 100 °C, making it attractive for application in PEMFC at high temperatures. Our findings show that the influence of the metal used as a filler (Zr or Zn) is lower than that of the ligand (BDC or C) on the oxidative stability and proton conductivity of PEMFC.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141783974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}