Solid State Ionics最新文献

{"title":"Positive impact of the architecture of the oxygen electrode based on LNO and CGO for solid oxide electrochemical cells","authors":"Michael Spann ,&nbsp;Jérôme Laurencin ,&nbsp;Elisabeth Djurado","doi":"10.1016/j.ssi.2024.116744","DOIUrl":"10.1016/j.ssi.2024.116744","url":null,"abstract":"<div><div>The Ruddlesden-Popper phase, strontium- and cobalt-free lanthanum nickelate, La₂NiO_4+δ (LNO), is a mixed-conducting oxide phase and a promising oxygen electrode for SOCs (solid oxide electrochemical cells), thanks to its high diffusion of oxygen and its surface exchange properties. The electrochemical performance is strongly related to the charge transfer at the triple phase boundaries in the surface path and the excorporation/incorporation reaction in the bulk path. In this context, this study explores a strategy to increase the number of active sites in LNO-based electrodes, by designing nanostructured active functional layers and incorporating gadolinium-doped ceria (CGO). Two architectural scenarios are proposed compared to a pure LNO reference: a <em>uniform</em> distribution of CGO in the volume of the LNO and a continuous compositional <em>gradient</em>, both fabricated for the first time by electrostatic spray deposition (ESD).</div><div>These designs are investigated based on phase structure, microstructure, elemental chemical composition, and electrochemical properties using SEM-EDS, XRD, and electrochemical impedance spectroscopy. Polarization resistance values are discussed as a function of the distribution of contact points in the electrode volume and LNO crystallization. The results suggest that the presented approach to achieve CGO: LNO-based <em>gradient</em> electrodes allows controlling the localization of the interfaces between the two phases, thereby optimizing charge transfer.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116744"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143146172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tunable grain boundary conductivity in sodium doped high entropy oxides","authors":"Justin Cortez ,&nbsp;Alexander Dupuy ,&nbsp;Hasti Vahidi ,&nbsp;Yiheng Xiao ,&nbsp;William J. Bowman ,&nbsp;Julie M. Schoenung","doi":"10.1016/j.ssi.2024.116745","DOIUrl":"10.1016/j.ssi.2024.116745","url":null,"abstract":"<div><div>Concerns with the safety and sourcing of lithium-ion batteries have prompted significant research into sodium-based systems. High entropy oxides (HEO), which contain five or more oxide components in equimolar amounts, are well suited for battery applications due to their ability to accommodate a substantial quantity of mobile charge carriers (such as sodium), while also demonstrating promising cycling stability, electrical conductivity, and battery capacity retention. Here we investigate the underexplored influence of sodium doping, processing, and microstructure on charge transport in bulk sintered (Co,Cu,Mg,Ni,Zn)_1-xNa_xO. We find that the conductivity increases with increasing dopant amount, up to 1.4 × 10⁻⁵ S∙cm⁻¹ at x = 0.33. Much of this increase is attributed to the high grain boundary conductivity, which originates from a Na_xCoO₂ layered structure that forms in the grain boundaries during processing. X-ray diffraction and transmission electron microscopy confirm the presence of the layered structure, while electrochemical impedance spectroscopy highlights the distinct contribution to the impedance response. The relative contributions of the grain boundaries and the bulk to the charge transport are discussed, along with how processing conditions and composition can be used to effectively engineer grain boundaries in doped HEO materials.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116745"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical properties and application of Bi-doped Ba3Ca1.18Nb1.82−xBixO9−δ electrolyte","authors":"Xinyu Cai,&nbsp;Ying Li,&nbsp;Lixin Yang","doi":"10.1016/j.ssi.2024.116748","DOIUrl":"10.1016/j.ssi.2024.116748","url":null,"abstract":"<div><div>Ba₃Ca_1.18Nb_1.82−xBi_xO_9-δ (x = 0, 0.1, 0.2, 0.3) proton conductor materials with different Bi doping ratios are prepared. The Bi element was successfully doped into the lattice of Ba₃Ca_1.18Nb_1.82−xBi_xO_9−δ proton conductor to form a single perovskite phase. The effects of Bi doping on grain boundary are evaluated by the analysis of relaxation time distribution (DRT). The proper Bi doping ratio for Ba₃Ca_1.18Nb_1.82−xBi_xO_9−δ (x = 0, 0.1, 0.2, 0.3) can improves the grain boundaries performance. With the increase of Bi doping ratio, the conductivity of the sample increases first and then decreases. Among all the samples, Ba₃Ca_1.18Nb_1.72Bi_0.1O_9-δ (BCNB10) has the highest conductivity and satisfactory proton transport properties. In the wet air atmosphere at 700 °C, the proton transference number of BCNB10 is still higher than 0.6. The Ba₃Ca_1.18Nb_1.72Bi_0.1O_9-δ-based fuel cell has a power density of 59.7 mW cm² at 700 °C. The results show that BCNB10 is a promising fuel cell electrolyte material with high performance.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116748"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143146174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced performance of medium-temperature solid oxide fuel cells using CaSnO3-ZnO heterostructure as electrolyte","authors":"Xinyu Feng ,&nbsp;Hanzhen Liu ,&nbsp;Zhenhang Lu ,&nbsp;Xuanyu Lin ,&nbsp;Xin Tang","doi":"10.1016/j.ssi.2024.116760","DOIUrl":"10.1016/j.ssi.2024.116760","url":null,"abstract":"<div><div>The advancement of novel heterostructure electrolytes and the enhancement of solid oxide fuel cell (SOFC) performance represent a promising strategy for developing medium-temperature SOFCs. This study focuses on synthesizing CaSnO₃ via the sol-gel technique and fabricating CaSnO₃-ZnO composites to serve as electrolytes for medium-temperature SOFCs. At 550 °C, the 2Ca<img>8Zn composite demonstrated an ionic conductivity of 0.204 S cm⁻¹, a peak power density of 700 mW cm⁻², and intermittent durability lasting up to 24 h under identical thermal conditions. Upon further investigation of the energy band structure, it has been revealed that CaSnO₃-ZnO composites are promising candidates for serving as electrolytes in medium-temperature SOFCs. The findings indicate that the combination of calcium and zinc oxides can form n-n heterojunctions within the material, which enhance ionic conductivity by creating space charge regions, while simultaneously suppressing electronic conductivity. Consequently, CaSnO₃-ZnO nanocomposites are anticipated to pave the way for advancements in intermediate-temperature solid oxide fuel cells.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116760"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-diffusion of constituent elements in nominally undoped LaAlO3 single crystals","authors":"Peter Fielitz ,&nbsp;René Gustus ,&nbsp;Kirsten I. Schiffmann ,&nbsp;Günter Borchardt","doi":"10.1016/j.ssi.2024.116755","DOIUrl":"10.1016/j.ssi.2024.116755","url":null,"abstract":"<div><div>The interface between the insulators LaAlO₃ and SrTiO₃ has very interesting electronic properties. The production of such heterointerfaces comprises high temperature steps. Therefore knowledge of the mobilities of the constituent elements in the two partner oxides is required. As the majority of the published oxygen mobility data is based on electrical conductivity measurements with a rather large scatter, a check with a direct method was required, i. e. ¹⁸O₂ exchange in combination with SIMS depth profiling. Our present results are in agreement with recently published ¹⁸O₂/SIMS data. For the two native cations no data at all were available in the literature. Using the rare stable isotope ¹³⁸La and the pseudo-stable radionuclide ²⁶Al in combination with SIMS depth profiling, for the first time upper limits of the tracer diffusivities could be determined at one temperature (1500 °C) for the very slow host cations in nominally undoped (100) oriented LaAlO₃ single crystals. The experimental observations of this work for LaAlO₃ are very similar to the situation in SrTiO₃ concerning the cation tracer diffusivities in nominally undoped single crystals. Both the experimental findings in LaAlO₃ and in SrTiO₃ are in plausible qualitative agreement with the results of calculated activation energies for native ion migration in various perovskite oxides.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116755"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147789","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular dynamics simulation of water absorption and mechanical weakening in coal rocks based on Monte Carlo methods","authors":"Lifan Jiao ,&nbsp;ChaoYu Hao ,&nbsp;Dong Duan ,&nbsp;WeiDong Lu ,&nbsp;YuanPing Gan ,&nbsp;Jiaji Qi ,&nbsp;WangRui Yang ,&nbsp;YanKun Chen","doi":"10.1016/j.ssi.2024.116743","DOIUrl":"10.1016/j.ssi.2024.116743","url":null,"abstract":"<div><div>Aiming at the problem of roadway destabilization in water encountered in the roadway of the back mining roadway of an extra-thick coal seam in Xinjiang Dabei Coal Mine, this paper used molecular dynamics simulation to study the interaction between coal and water and analyzed the adsorption characteristics of water molecules and the change of mechanical properties of coal. Firstly, the model of C₁₈₁H₁₃₈N₂O₂₄ bituminous coal was constructed by test, the coal-water adsorption was simulated based on the Monte Carlo method, and the coal-water adsorption configuration was analyzed. The results showed that: the saturation adsorption capacity was about 60 water molecules/cell, and the water molecule adsorption was concentrated in the vicinity of oxygen-containing groups and hydrogen atoms; the increase of water molecule content led to the decrease of heat of adsorption and diffusion capacity, and the heat of adsorption decreased by 9.1 %, and the diffusion coefficient of the early stage of adsorption was about three times of that of the final stage; the mechanical parameters of the coal body were significantly decreased, and the bulk modulus, Young's modulus, and shear modulus were respectively decreased by 21.90 %, 36.76 %, and 38.87 %, Poisson's ratio increased by 14.81 %, Poisson's ratio variability was low, volumetric modulus variability was medium, Young's modulus and shear modulus variability was high. The decrease in strength after coal water adsorption is due to the significant volume expansion of the coal body, the saturation expansion rate reaches 12.47 %, and at the same time, the total energy of the coal model decreases, where the weakening effect produced by the changes in the bonding and non-bonding energies results in the decrease in the mechanical strength of the coal molecules, and the weakening of the stability of the coal rock. The results of the study reveal the deformation and damage mechanism of the softening and deformation of the back-mining roadway in contact with water in Xinjiang Dabei Coal Mine, which provides a basis for the subsequent disaster prevention and control.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"418 ","pages":"Article 116743"},"PeriodicalIF":3.0,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on the mechanism of liquid-phase regulated preparation of battery-grade iron phosphate","authors":"Haijing Cui ,&nbsp;Changjiang Yang ,&nbsp;Yankun Wang ,&nbsp;Zehang Qin ,&nbsp;Jun Chang","doi":"10.1016/j.ssi.2024.116740","DOIUrl":"10.1016/j.ssi.2024.116740","url":null,"abstract":"<div><div>LiFePO₄ batteries play a crucial role in energy storage and electric vehicles, with their precursor, FePO₄, directly determining the electrochemical performance of LiFePO₄. The key to preparing high-quality FePO₄ is the precise regulation of crystal morphology. This study investigates the inter-ionic interaction of Fe³⁺ in a complex phosphate system to form monoclinic FePO₄ with high crystallinity by precisely controlling process parameters such as pH and reaction temperature. The optimized process parameters are as follows: during the leaching stage, a P/Fe feeding ratio of 3:1 and a reaction temperature of 90 °C; during the oxidation stage, a 140 % excess of H₂O₂ and a reaction temperature of 50 °C; and during the crystallization stage, a pH of 1.5 and a reaction temperature of 90 °C, with an aging time of 1 h. The resulting FePO₄ has a round cake morphology with a diameter of approximately 1.5 μm and a thickness of about 0.5 μm. The particle size distribution is narrow, with a D₅₀ of 2.64 μm. The products exhibit consistent crystalline morphology, high crystallinity, an Fe content of 36.595 %, a P content of 20.676 %, and an Fe/P ratio of 0.981. The synthesized LiFePO₄/C derived from this FePO₄ shows a discharge capacity of 154 mAh/g at 0.2C. The proposed preparation mechanism has significant theoretical implications for the efficient and environmentally friendly production of FePO₄ in the industry.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"418 ","pages":"Article 116740"},"PeriodicalIF":3.0,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigate the performance of Sm and Nb co-doping Sm1-xBaxFe0.9Nb0.1O3-δ symmetrical electrode for solid oxide fuel cells","authors":"Yunfei Li ,&nbsp;Qian Zhai ,&nbsp;Chengyi Wen ,&nbsp;Chunling Lu ,&nbsp;Dongchao Qiu ,&nbsp;Bingbing Niu ,&nbsp;Biao Wang","doi":"10.1016/j.ssi.2024.116741","DOIUrl":"10.1016/j.ssi.2024.116741","url":null,"abstract":"<div><div>Sm and Nb co-doping Sm_1-<em>x</em>Ba_<em>x</em>Fe_0.9Nb_0.1O_3-δ (<em>x</em> <em>=</em> 0.05,0.10,0.15, abbreviated as SBFN05, SBFN10 and SBFN15) oxide was prepared and investigated as an electrode for symmetrical solid oxide fuel cells (SSOFCs). XRD results demonstrate that Sm_1-<em>x</em>Ba<em>_{_x}</em>Fe_0.9Nb_0.1O_3-δ samples form a stable cubic perovskite structure both in air and in H₂ atmosphere. Among Sm_1-<em>x</em>Ba_<em>x</em>Fe_0.9Nb_0.1O_3-δ samples, SBFN05 exhibits the lowest polarization resistance (Rp) at 600–800 °C. At 800 °C, the Rp of SBFN05 symmetrical electrode is 0.021 Ω cm² in air and 0.2 Ω cm² in H₂, respectively. The Rp of SBFN05 electrode has good stability in air and in H₂ during 100 h short-term test. At 850 °C, The maximum power density of single cell with SBFN05 symmetrical electrode feed with H₂ fuel reaches 928.6 mWcm⁻². Compared with BaFeO_3-δ, SBFN05 has lower binding energy and its O 2P center is closer to Fermi energy, suggesting good structural stability and oxygen catalytic activity. The primary result suggests that SBFN05 is a potential candidate symmetrical electrode for IT-SOFCs.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"418 ","pages":"Article 116741"},"PeriodicalIF":3.0,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Using machine learning towards enhancement of electrochemical activity in OER/ORR half-reactions of MXene cathode materials for Li-air batteries","authors":"Natalia V. Kireeva,&nbsp;Aslan Yu Tsivadze","doi":"10.1016/j.ssi.2024.116742","DOIUrl":"10.1016/j.ssi.2024.116742","url":null,"abstract":"<div><div>Metal-air batteries are the target of the ever-growing interest as considering as the new “lead” technology among the most promising electrochemical energy storage solutions. The projected energy density of lithium-air batteries considered in this study exceeds current commercial lithium-ion batteries by more than three times. In this study, we consider the characteristics of MXenes, 2D layered phases with such attractive characteristics as a high specific surface area with the numerous active reaction centers, mechanical strength, the diverse functional characteristics and the perspectives of scalability of their production, which are of importance for the practical realization of Li-air batteries of different architecture. The formation of the phases of complex content and structure inherent to pseudomorphism at the interface, as it is actual for the objects of our study, allows one to conclude that it is necessary to consider the processes that occur at the interfaces of lithium-air battery cathodes in direct relation to the cathode material used. Machine learning methods were involved in model development for <em>(i)</em> MXenes predicting the electrochemical phase diagrams, Pourbaix diagrams, which circumscribe the stability window of MXenes of certain composition formed with synthesis-defined terminations as a function of pH and U_<em>SHE</em> for single and double MXenes and <em>(ii)</em> the elastic characteristics of MAX phases, precursors of MXenes, to assess the commensurability of the interface of MXene cathode materials and Li₂O₂ phase as well as the prospects of using target MXene compositions combined with the solid electrolyte materials of different families for employing in all-solid-state Li-air batteries. The obtained models demonstrate high predictive performance that argue on the possibility to use them for rational screening of new phases with desired functional characteristics.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"418 ","pages":"Article 116742"},"PeriodicalIF":3.0,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"H diffusion in Mg- and Be- doped ⍺Al2O3 (corundum) single crystals","authors":"Michael C. Jollands ,&nbsp;Shiyun Jin ,&nbsp;Daniel C. Jones ,&nbsp;Roland Stalder","doi":"10.1016/j.ssi.2024.116730","DOIUrl":"10.1016/j.ssi.2024.116730","url":null,"abstract":"<div><div>The diffusivity of hydrogen, as protons, in Mg- and Be-doped corundum has been determined from 544 to 1007 °C, by annealing single crystals in CO₂-H₂ or N₂-H₂ mixes at ambient pressure. The addition of hydrogen leads to decolorization of the crystals, which is attributed to the associated removal of electron holes. Spatially resolved semi-quantitative profiles of hydrogen concentration versus distance were recorded using Fourier transform infrared spectroscopy, and/or Cr luminescence lifetime spectroscopy. These show hydrogen diffusion associated with trapping by Mg or Be, which leads to characteristic step shaped (broadly sigmoidal) forms of concentration-distance profiles. Numerical modelling of this diffusion-plus-trapping process allows hydrogen diffusion coefficients to be extracted, which are several orders of magnitude higher than any diffusion coefficients that have been previously determined in this system. This discrepancy is attributed to previous studies not taking trapping behaviour into account. <em>Re</em>-analysis of some published data, now considering trapping, can explain a ∼ 4-5 orders of magnitude discrepancy in calculated diffusion coefficients.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"418 ","pages":"Article 116730"},"PeriodicalIF":3.0,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}