Ionics最新文献

{"title":"Atomistic insights into intermolecular formation of deep eutectic solvents and poly(acrylate) matrix and its application for the enhancing hydronium ion dynamics in proton-exchange membranes of fuel cells","authors":"Sagynysh Nurmanova, Kazybek Aimaganbetov, Kairat Abdrakhmanov, Sergey Kolisnichenko, Nurlan Almas, Fariza Abugalieva, Gaukhar Kabdrakhimova, Omirzak Abdirashev","doi":"10.1007/s11581-024-05733-9","DOIUrl":"https://doi.org/10.1007/s11581-024-05733-9","url":null,"abstract":"<p>This study presents a comprehensive analysis of the intermolecular interactions and diffusion behavior in deep eutectic solvent (DES)-supported poly(acrylate) (PAA) systems, with a focus on enhancing hydronium (H₃O⁺) ion mobility for proton-exchange membranes (PEMs) in fuel cells. Using classical all-atom molecular dynamics (MD) simulations, we investigated the interactions within pure DES-supported PAA and hydrated DES-supported PAA matrices at hydration levels (HLs) 3 and 9. Radial distribution functions (RDFs) revealed significant interactions between the oxygen atoms of PAA and hydrogen atoms of DES components, with distinct variations at different HLs. Interaction energy calculations highlighted the evolving strengths of PAA-DES interactions, especially with choline, chloride, and urea, under varying hydration conditions. Diffusion coefficients indicated substantial enhancements in the mobility of H₃O⁺ ions and water molecules with increasing hydration, essential for effective proton transport. These findings underscore the critical role of water in facilitating dynamic restructuring and efficient proton conduction within the DES-supported PAA matrix, offering valuable insights for the development of advanced PEMs with tailored properties for fuel cell applications.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784117","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":"Study of bubble evolution behavior on electrode surface based on lattice Boltzmann method","authors":"Shengzheng Ji, Guogang Yang, Jiadong Liao, Ziheng Jiang, Xiaoxing Yang, Zhuangzhuang Xu","doi":"10.1007/s11581-024-05721-z","DOIUrl":"https://doi.org/10.1007/s11581-024-05721-z","url":null,"abstract":"<p>Photoelectrochemical water splitting is regarded as one of the most efficient methods for hydrogen production, with photoelectrode materials playing a crucial role in enhancing its efficiency. To further improve the effectiveness of hydrogen production via photoelectrochemical water splitting, a lattice Boltzmann method (LBM) with multiple relaxation times (MRT) is employed to simulate the evolution of bubble growth, coalescence, and detachment on the photoelectrode surface. This simulation takes into account factors such as bubble detachment diameter, contact angle of the photoelectrode surface, and the spatial distribution of nucleation sites. According to simulation results, when the gravity coefficient increases, the bubble detachment diameter decreases, a contact angle between 120° and 140° is found to be optimal for bubble detachment. When the contact angle is less than 90°, the bubbles typically adhere to the surface of nucleation sites. The bubble detachment time decreases gradually as the contact angle ranges from 120° to 160°, and the bubble detachment time drops by 1.8 ms and 0.2 ms, respectively. When the distance between two nucleation sites was 5 μm, 10 μm, 15 μm, and 20 μm, and the bubble detachment time was 3 ms, 2.2 ms, 3 ms, and 2.9 ms, respectively. The bubble detachment time could be effectively reduced by appropriately increasing the distance between nucleation sites in a certain range. This study elucidates the behavior of bubbles on photoelectrode surfaces during photocatalytic water decomposition, providing valuable insights for optimizing photoelectrode design and improving the efficiency of hydrogen production.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784115","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":"Phyto-mediated facile synthesis of ZnO nanoparticles: enhanced photocatalysis, biological, and electrochemical properties","authors":"M. Thejaswini, V. Lakshmi Ranganatha, H. B. Vasanth Patil, S. Pramila, G. Nagaraju, C. Mallikarjunaswamy","doi":"10.1007/s11581-024-05710-2","DOIUrl":"https://doi.org/10.1007/s11581-024-05710-2","url":null,"abstract":"<p>In the present work, zinc oxide nanoparticles (ZnO NPs) were prepared via a simple and eco-friendly combustion method employing <i>Cleome gynandra</i> seed extract as a fuel. The synthesized ZnO NPs were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray studies (EDX), Fourier-transform infrared spectroscopy (IR), Raman spectroscopy, and UV spectroscopy (UV–Vis). XRD confirmed the crystalline nature of the material with a hexagonal wurtzite structure having an average crystallite size of 28 nm. SEM images confirm the formation of spherical with agglomerated forms of ZnO NPs. FTIR spectrum shows the band at 580 cm⁻¹ due to the vibrational mode of Zn–O bending. The band gap of the ZnO was found to be 3.00 eV. Photocatalytic activity of ZnO NPs was assessed using methylene blue (MB) dye under UV light irradiation, demonstrating an admirable 94% degradation around 120 min. The electrochemical studies of the ZnO-modified carbon paste electrode exhibit superior oxidation and reduction potential and also show promising electrode material for H₂O₂ and ascorbic acid sensors. Further, these NPs also exhibit antioxidant and antimicrobial properties and are biocompatible with lymphocytes. Therefore, the synthesized material has good photocatalytic, electrochemical, antibacterial, and antimicrobial properties.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784121","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":"Enhancement of biomethanation process of Eichhornia crassipes using ferric chloride catalyst","authors":"Saikat Banerjee, Selvaraju Sivamani","doi":"10.1007/s11581-024-05723-x","DOIUrl":"https://doi.org/10.1007/s11581-024-05723-x","url":null,"abstract":"<p>Water hyacinth is one of the most significant sources of biomass in tropical regions that can be used to create biogas. This strategy aims to improve the sustainability, precise energy content, and ease of transport of the original biofuel feedstock, as well as to extract gases. An experimental investigation on the biomethanation of water hyacinth took place in a semi-batch digester. Temperature, stirring speed, and catalyst concentration all have an impact on the rate of biogas production. The catalyst has been discovered to primarily boost the rate of biogas production from water hyacinth (<i>Eichhornia crassipes</i>). As the catalyst is used here to boost up the biomethanation reaction, the effect of the catalyst on different kinetic parameters is investigated.</p><p>The key conclusions of the research indicate that the maximum value of acidogenic cell mass concentration is 0.13 kg/m³d while the minimum value of methanogenic cell mass concentration is 0.014 kg/m³d at 50 ppm catalyst concentration. Moreover, the maximum specific growth rate of the entire process increases as the catalyst concentration rises, reaching a maximum level of 0.312 d⁻¹ at a 50 ppm catalyst concentration. This is proof that using a catalyst can expedite the biomethanation process. As the catalyst concentration increases, so does the overall biomass concentration. Since it increases the precision of the parameter estimates, the simultaneous estimation of the parameters is a crucial part of the estimation process.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784124","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":"Hydrothermal modification of natural graphite with KCl: different roles of K+ and Cl− in promoting the electrochemical performance of Li-ion batteries","authors":"Zong‒Xiao Zhao, Wei Liu, Yong‒Xin Qi, Yu‒Jun Bai","doi":"10.1007/s11581-024-05718-8","DOIUrl":"https://doi.org/10.1007/s11581-024-05718-8","url":null,"abstract":"<p>The poor structural stability and cyclability restrict the wide application of natural graphite (NG) in Li-ion batteries (LIBs). Herein, NG was hydrothermally modified with KCl at 200 °C for 12 h. The NG modified with 1.0 wt% KCl exhibits excellent rate performance (revealing average lithiation capacities of 407.7 mAh g⁻¹ at 0.1 C and 341.2 mAh g⁻¹ at 0.5 C) and cyclability. The roles of K⁺ and Cl⁻ in promoting the electrochemical performance of NG was revealed via systematic characterizations. In the hydrothermal process, K⁺ entered into graphene interlayers to enhance electronic conductivity and introduce lattice distortion in NG to facilitate Li-ion transport during lithiation and delithiation, while Cl^<b>−</b> interacted with the NG surface to create C<b>‒</b>Cl bonds which are partially converted into Li-conductive LiCl during lithiation to function as the component of solid electrolyte interphase. Both the residual C<b>‒</b>Cl bonds and in situ formed LiCl with high stability could stabilize the structure and performance of the NG anode. This simple hydrothermal modification with KCl might promote the wide utilization of the NG anode in LIBs.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>\u0000","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784049","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":"Design and performance experimental study of microchannel ceramic methanol reformer","authors":"Haoming Sun, Dong Tang, Ruixiao Tian, Jinyan Tang","doi":"10.1007/s11581-024-05726-8","DOIUrl":"https://doi.org/10.1007/s11581-024-05726-8","url":null,"abstract":"<p>Hydrogen possesses high energy density and emits zero carbon, making it a promising alternative fuel. However, the current storage and transportation of hydrogen pose significant safety risks. The on-site hydrogen production technology through methanol reforming offers a fundamental solution to the challenges of hydrogen storage and transportation. This study presents the design of a microchannel methanol reformer fabricated using cordierite honeycomb ceramics and evaluates its operational performance through multi-parameter experiments. The results show that optimal reforming performance is achieved at a reaction temperature of 553 K, a water-to-methanol ratio of 1.25, and a feed volume of 0.4 ml/min. Under these conditions, methanol conversion reaches 84.99%, hydrogen production amounts to 361.69 ml/min, and the carbon monoxide concentration is 0.6232%, demonstrating good stability during prolonged operation. This study provides valuable insights for the industrialization of methanol reformers and the utilization of hydrogen energy.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784123","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":"Effect of lithium perchlorate addition on LiNO3–KNO3 nitrate eutectic","authors":"A. M. Amirov, M. A. Akhmedov, Z. Yu. Kubataev, M. M. Gafurov, K. Sh. Rabadanov, M. V. Kadiev","doi":"10.1007/s11581-024-05715-x","DOIUrl":"https://doi.org/10.1007/s11581-024-05715-x","url":null,"abstract":"<p>In our work, thermal properties, phase transitions, and processes of molecular relaxation of nitrate and perchlorate ions in the lithium nitrate–potassium nitrate binary eutectic system doped with lithium perchlorate LiClO₄ were studied by differential scanning calorimetry and Raman spectroscopy. The values of specific electrical conductivity of the LiNO₃–KNO₃ nitrate eutectic and the LiNO₃–KNO₃–LiClO₄ ternary salt system were also obtained. The electrical conductivity was investigated up to melting temperatures and it was found that the addition of lithium perchlorate LiClO₄ to the LiNO₃–KNO₃ binary eutectic leads to an increase in the specific ionic conductivity of the ternary salt system. Lithium perchlorate functions as an active additive that promotes the increase of ion mobility due to competing mechanisms of anion-cation interactions. The value of specific ionic conductivity reaches a maximum in the system when 0.2 mol of lithium perchlorate is added. It has been established that with the increasing addition of lithium perchlorate to the nitrate eutectic, the melting peak of the LiNO₃–KNO₃ eutectic decreases. For the composition with an initial content of 0.5LiClO₄, a phase transition of the LiNO₃–KNO₃ eutectic is not registered. It is obvious that in the system take place an exchange reaction between potassium nitrate and lithium perchlorate with the formation of KClO₄ and LiNO₃. This conclusion is also confirmed by the data of Raman scattering spectra, which show that with increasing addition of LiClO₄, the peak of fully symmetric stretching vibration ν₁(KNO₃) decreases and the peak of ν₁(KClO₄) is observed. The addition of 0.5 mol of LiClO₄ leads to the total disappearance of the peak of ν₁(KNO₃). Interionic interactions in the salt systems, leading to changes in the local symmetry of the NO₃ˉ-ion, are reflected in their transport and thermodynamic properties.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784051","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":"Preparation of CuFe2O4 via freeze-drying method and its application in boosting peroxymonosulfate activation to degrade rhodamine-B dye","authors":"Xiaoyan Xing, Yong Cui, Zitong Cheng, Wenlong Li, Xuetian Li, Zhongcai Shao","doi":"10.1007/s11581-024-05731-x","DOIUrl":"https://doi.org/10.1007/s11581-024-05731-x","url":null,"abstract":"<p>The transition bimetallic oxide catalyst demonstrates the ability to activate peroxymonosulfate (PMS), generating oxidative active groups and facilitating room temperature reactions, all at a relatively low cost. The freeze-drying method was successfully utilized to obtain CuFe₂O₄ to boost peroxymonosulfate activation to degrade rhodamine-B dye. The catalyst underwent characterization through XRD and SEM. The impact of various reaction parameters, such as initial pH value and PMS dosage on the degradation of rhodamine-B, was examined. The results revealed that the CuFe₂O₄ catalyst obtained via freeze-drying method as the precipitant exhibited uniform and regular particle characteristics, remarkable crystallization degree, high purity, enormous specific surface area, and an absence of impurity functional groups. Additionally, the prepared CuFe₂O₄ material showcased enhanced catalytic performance. To carry out the catalysis process, the rhodamine-B concentration was set at 20 mg·L⁻¹, with an amount of 200 mg·L⁻¹ of CuFe₂O₄ material used. The optimal pH was determined to be 9.0, while the ideal PMS concentration was found to be 1.0 mmol·L⁻¹. Under these specific conditions, an impressive 99% degradation rate of rhodamine-B was achieved in just 27 min of catalysis.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141784122","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, characterization, and evaluation of improved electrochemical performance of vanadium and zinc co-doped Ni-rich oxide cathode materials: experimental and first-principles study","authors":"Ahmad Usman, G. Murtaza, Ahmad Ayyaz, Tahani I. Al-Muhimeed, Ghulam Farid","doi":"10.1007/s11581-024-05719-7","DOIUrl":"https://doi.org/10.1007/s11581-024-05719-7","url":null,"abstract":"<p>Ni-rich transition metal-based oxide materials have excellent electrochemical properties that make their specific discharge capacity and voltages suitable as cathodes in Li-ion batteries. The current investigation uses solid-state synthesis to create a variety of Ni-rich metal oxide cathode materials, including vanadium (V) and zinc (Zn) co-doped LiNiO₂. XRD analysis demonstrates that the synthesized materials exhibit a stable hexagonal structure with an R3m space group. Scanning electron micrographs (SEM) reveal the production of well-shaped particles with different doping concentrations, while energy-dispersive spectroscopy (EDS) mapping validates the presence of Ni, V, Zn, and O with the appropriate compositions. Selected area electron diffraction (SEAD) and transmission electron microscopy (TEM) confirm that the synthesized polycrystalline LiNi_0.80Zn_0.06V_0.14O₂ cathode material has crystals organized in a hexagonal phase. Structural properties are also calculated by density functional theory (DFT) using Wien2K code. The spin-polarised electronic band structures and density of states (DOS) are calculated for all given compounds showing the ferromagnetic nature. The theoretical discharge capacity and intercalation voltages are determined by adding up the total energies of the optimized compounds. It claimed that LiNi_0.52Zn_0.16V_0.32 O₂ has a discharge capacity of 48–246 mAhg⁻¹ with an intercalation voltage of 5.77–3.35 V, proving significant improvement in the redox properties. Theoretical calculations and experimental results both examined Ni-rich co-doped V and Zn transition metal oxides as potential materials for the fabrication of coin cells in future batteries.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141737403","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 nitrogen removal from ethylene washing wastewater","authors":"Jipeng Wang, Yun Feng, Wei Li","doi":"10.1007/s11581-024-05720-0","DOIUrl":"https://doi.org/10.1007/s11581-024-05720-0","url":null,"abstract":"<p>Ethylene alkaline washing wastewater after wet catalytic oxidation typically contains low concentrations of ammonia and nitrate, while its high salinity and pH restrict the application of biological nitrogen removal processes. The principle of electrochemical removal of ammonia is to use the applied electric field to promote the redox reaction of ammonia; convert it into ammonia, nitrogen, or nitrogen oxides; and achieve the purpose of reducing the content of ammonia in the water body. This study proposes the use of electrochemical methods for the nitrogen removal from the wastewater, with a focus on comparing the electrochemical performance and nitrogen removal efficiency of three common commercial anodes (Ti/RuO₂-IrO₂, Ti/SnO₂-Sb₂O₃, and graphite plate). Although Ti/RuO₂-IrO₂ had a higher electrical impedance than the other two electrodes, its larger electrochemical active surface area resulted in higher current density under the same potential conditions. Meanwhile, the excellent chlorine evolution performance of the Ti/RuO₂-IrO₂ electrode ensured the complete oxidation of ammonia in wastewater with a low chloride concentration. Additionally, neutral pH favored ammonia oxidation on all electrodes, but Ti/RuO₂-IrO₂ electrodes could maintain higher ammonia oxidation efficiency and N₂ selectivity even under alkaline conditions. Increasing current density promoted the oxidation of ammonia, but 10 mA·cm⁻² was ideal as it offered relatively low energy consumption. During long-term continuous operation, the Ti/RuO₂-IrO₂ electrode was the most stable, whereas the Ti/SnO₂-Sb₂O₃ electrode lost activity after 30 h of reaction, and the mass of the graphite electrode decreased by 12% after 100 h of reaction.</p>","PeriodicalId":599,"journal":{"name":"Ionics","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141737404","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}