Thermal expansion and chemical strain caused by water uptake were measured for BaCa(1+y)/3Nb(2−y)/3O3−δ∙xH2O (BCN) perovskite-type oxides by dilatometric and X-ray diffraction methods. To describe the total and chemical expansion, we proposed a simple geometric chemical strain model based on the relative change in ionic radii upon hydration. The model calculations agree well with the experimental data

As an important supplementary part of experiment, multi-scale modeling and simulation plays an important role in reasonable design and performance prediction of lithium-ion batteries. Due to the complexity of spherical diffusion equation, the calculation error of Li-ion diffusion process in solid spherical active particles is an important factor restricting the accuracy of the simplified mechanism

Proton transfer (PT) in proton-conducting oxides is an intrinsically quantum phenomenon, due to the very strong quantization of the OH stretching vibration (ℏω~ 0.4 eV). Up to high temperatures, the proton is frozen in the ground state associated with the OH stretching motion, and thus does not undergo the thermal agitation for this vibration. Therefore, these are the thermal fluctuations of the (heavier)

Metal (NiFe)-supported solid oxide fuel cells were prepared using the cost-effective tape casting, multilayer co-firing, and impregnation methods in this paper. MSC with Ni-YSZ as the functional anode, YSZ as the electrolyte and impregnated La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) as the cathode. The maximum power density reached 0.72 mW/cm2 at 750 °C and the polarization resistance was 0.20 Ω cm2. The complex

The modelling of the thermo-kinetic properties of uranium-plutonium mixed oxide (MOX) is of utmost importance for optimizing its synthesis and for predicting its behaviour in Fast Breeder Reactors. Despite the stakes and likely because of experimental issues, little or no experimental data are available for the entire MOX system. We circumvent here the difficulties by developing a mobility database

The Li1.2Mn0.54Ni0.13Co0.13O2 cathode material with excellent electrochemical properties was successfully prepared by treating precursor with KMnO4. The results indicated that KMnO4 treatment could depress Li+/Ni2+ cation mixing degree and extend c axis of the cathode material structure. Simultaneously, the formed spinel phase could improve cycling stability and provide 3D Li+ diffusion channels. The

NCM811 precursor with concentration gradients is prepared by adjusting the feeding method of MnSO4·H2O in the co-precipitation method. X-ray diffraction patterns show that the precursors have good crystal structure of β-Ni(OH)2. Energy dispersive X-ray spectroscopy shows that the precursor sample performs relatively gentle concentration gradient distributions and scanning electron microscope presents

In a typical organic liquid electrolyte-based fluoride shuttle battery (FSB), a high concentration of a boron-based anion acceptor (AA) capable of binding specific anions is required to provide a sufficient amount of dissolved fluoride salt. In this study, and a mixture of lithium bis(oxalato)borate (LiBOB) and an AA, triphenylboroxin (TPhBX), was used as an organic liquid electrolyte. The tetraglyme

The influence of sintering temperature on Li diffusivity was investigated for two Li0.29La0.57TiO3 samples sintered at 1400 °C and 1450 °C, respectively. Synchrotron radiation diffraction was used to get detailed insights into the crystal structure and the real structure and also into the subtle differences between the two samples. 7Li NMR relaxometry and 7Li PFG NMR were used to observe the local

Here we present an ab initio insight into the electronic structure and sodium diffusion in A3−хNa1+х(MoO4)2 with trigonal (A = Cs) and monoclinic (A = K) glaserite-type structures. Our DFT calculations predict the stability of К3−xNa1+x(МoO4)2 to high sodium content and a significantly smaller homogeneity region for Cs3−xNa1+x(МoO4)2 in accordance with experimental findings. These molybdates are wide-gap

A series of composite membranes based on sulfonated poly(arylene ether nitriles) (SPEN) with embedded tungstophosphoric acid (TPA) were prepared. The effect of TPA concentration on morphology, structure, thermal stability, mechanical strength, ion-exchange capacity and proton conductivity of SPEN-TPA composite membranes was studied in detailed. SEM images indicated the TPA were uniformly distributed

A new composite sulfur cathode with high sulfur loading for all-solid-state lithium sulfur (LiS) battery, along with an in-situ coating process for preparing this composite cathode, is proposed in this manuscript. This composite cathode includes carbonized cotton fibers as the electron conductive skeleton, sulfide electrolyte coating on the carbon fibers as the Li-ion conductor, and elemental sulfur

Polymer films based on poly(vinylidene difluoride-co-hexafluoropropylene) (P(VdF-HFP)) with different amounts of bis(trifluoromethane)sulfonimide lithium salt (LiTfSI) were prepared from acetone solution in a doctor blade casting machine under controlled and reproducible drying conditions. The modification of the copolymer-based layers show a significant enhancement of conductivity over several orders

The surface chemistry of perovskite-type lanthanum transition metal oxides is an important parameter in high-temperature electrochemical devices such as solid oxide fuel cells (SOFCs). Strontium segregation on the surface of lanthanum strontium cobalt oxides (LSC) may lead to poor oxygen reduction kinetics. However, previous studies have not sufficiently addressed the oxide surface chemistry, including

In this study, we synthesized the solid solution system between La2Zr2O7 and La3TaO7 with a fluorite-type structure for the first time by the polymerized complex method and refined its crystal structural parameter using the Rietveld method. Furthermore, we synthesized a garnet-type Li-ion conductor by the precursor method which used a solid solution, La2+xZr2-2xTaxO7 (x = 0.4), as a precursor material

The femtosecond laser plasma charge attachment induced transport (fs-plasma CAIT) technique is considerably extended and applied to study ion transport in a borosilicate glass. The technique is based on attaching polarity selected charge carriers from a fs-laser to the front side of a sample, which induces transport of mobile charge carriers in this sample. The plasma-CAIT spectrometer is placed into

Reversible electrochemical deintercalation of potassium from the K6(VO)2(V2O3)2(PO4)4(P2O7) phosphate-pyrophosphate-oxide of potassium and vanadium (IV,V) obtained through a ceramic route has been demonstrated. The material has been tested as a high voltage positive electrode (cathode) for K-ion batteries, demonstrating 53% of the theoretical capacity of 88 mAh/g at the current density C/50 in the

Lithium manganese titanium oxide Li2.7MnTi3O9 with the Na2.08Ti4O9-type tunnel structure was prepared at 270 °C via ion-exchange reaction using the starting compound Na2.7MnTi3O9 in molten salts of LiNO3 and LiNO3-LiOH·H2O for the first time. The starting Na2.7MnTi3O9 sample was synthesized at 900 °C using conventional solid-state reaction. We determined the Na2.08Ti4O9-type tunnel structure of monoclinic

Symmetric cell configuration is commonly used for the study of reaction mechanism and kinetics of oxygen reduction reaction (ORR) and/or oxygen evolution reaction (OER) of solid oxide cells (SOCs) to avoid the issues associated with the possible inaccuracy and errors of the reference electrode in three-electrode cell configuration. The electrode impedance behavior and reaction parameters such as electrode

The electrochemical reactions occur on the carbon-supported platinum covered by a proton conducting polymer electrolyte. Thus, it is important to clarify the correlation between proton conductivity and morphology of the polymer electrolyte on Pt or carbon. In this study, the properties of thin films (50–200 nm) of Nafion®, which is the typical polymer electrolyte, were investigated on platinum and

Li-rich solid solution cathode materials having 3d transition metals or 4d transition metals are the candidate of next generation cathode material. In order to clarify the rate performance of 3d or 4d transition metal oxides, we focused two typical Li-rich solid solution cathodes; Li1.2Ni0.13Co0.13Mn0.54O2 as a model of 3d transition metal oxide and Li1.2Ni0.13Co0.13Ru0.54O2 cathode as a model solid

LiCoO2 was synthesized by the sol-gel method. Using the proposed synthesis method, a cathode was obtained at the final annealing temperature of 700 °C with a grain size of 40–80 nm. The chemical reaction stability of composite solid electrolytes based on Li7La3Zr2O12 in contact with LiCoO2 was studied using differential scanning calorimetry, Raman spectroscopy, and X-ray diffraction. The composite

Garnet solid electrolyte is the most promising candidate among inorganic solid electrolytes due to its wide potential window, good compatibility and high safety. In this work, a dual doping strategy is offered for the development of garnet-type electrolytes with high ionic conductivity. Te6+ is introduced into the Zr sites to stabilize the high-ionic conductivity cubic phase. Simultaneously, Sr2+ enter

Nasicon-type Li1+xAlxGe2-x(PO4)3 (x = 0–0.5) electrolytes have been prepared via a facile and economic method. All synthetic electrolyte samples show Nasicon structure and good crystallinity. The Al doping content has a great influence on the electrical conductivity of electrolyte. The electrolyte with the composition of Li1.4Al0.4Ge1.6(PO4)3 exhibits a highest electrical conductivity of 2.72 × 10−4 S/cm

Lithium ion conducting argyrodites have received growing attention as solid electrolytes for all-solid-state-batteries (ASSBs). The search for a novel lithium-argyrodite solid electrolyte was conducted in the Li2S–SnS2–SiS2–P2S5 quasi-quaternary system. A systematic synthesis of Li7+δ[SnkSi1−k]3+δ′P1−δ′′S12 (0.425 ≤ k ≤ 0.525) revealed a monophasic composition Li6.96Sn1.55Si1.71P0.8S12 with a cubic

Heteroatom-doped carbon materials with expanded interlayer distance show attractive charm as anodes for lithium/sodium/potassium-ion batteries, making the easier Na/K ions insertion/extraction and more Li-ions insertion/extraction during the charge-discharge process. Herein, the N/S co-doped hierarchically porous carbon (NSPC) with rational interlayer distance is successfully synthesized by heteroatom

Due to the abundant manganese reserves and the ability to provide higher voltages, the Mn3+ and Mn4+ cathode materials have been widely studied in zinc-ion batteries (ZIBs). However, there are some common disadvantages including poor conductivity and the expansion in volume during cycling, which exist in these Mn3+ and Mn4+ materials. Herein, we applied pure MnO as an electrode material to ZIBs and

Understanding the influence of crystal structures on properties is significant in the future optimization and design of Li-ion battery cathodes. By using the first-principles calculations, we perform a comprehensive investigation on the crystal structure, phase stability and electrochemistry of three new predicted Li2FeSiO4 polymorphs with 1D (One-Dimensional), 2D and 3D Fe-Si-O frameworks, i.e. Cmcm

Traditional liquid batteries have been plagued by safety, and highly stable all-solid-state battery is one of the main methods to solve this problem. Solid electrolytes have been accelerating development as a core component of all-solid-state batteries. A composite solid electrolytes (CSEs) composed of an organic polymer and an inorganic solid ceramic has been widely concerned, which can take into

Numerous parametrizations of pair potentials have been developed to investigate various properties of pure and doped ceria in recent decades. In this paper, we assess frequently applied sets of pair potentials for pure and gadolinia doped ceria with respect to the prediction of the bulk properties lattice parameter, bulk modulus, and thermal expansion coefficient as well as defect properties including

The oxygen ion conductivities of Sm doped ceria and Gd doped ceria are the highest for a rare-earth doped cerium oxide, which can be applied in solid oxide fuel cells (SOFC), high-temperature electrolysis with solid oxide electrolysis cells (SOEC), and high-temperature batteries. At the same time, zirconium oxide is a common impurity that has been shown to reduce the ionic conductivity in this type

Synthesis of a novel solid solution system GdNb1-xWxO4+δ through substituting W for Nb has been investigated by a solid-state reaction method. It is found that the structure of the system changed from a monoclinic fergusonite phase to a tetragonal scheelite phase with increasing W substitution and that a single tetragonal scheelite phase could be obtained at room temperature with the composition of

Organic-inorganic composite solid state electrolytes (SSEs), as one of the most attractive candidates for next generation SSEs, combines the both advantages of flexibility (from organic polymer) and structure rigidity (from robust inorganic constituent). In this work, a high performance three-dimensional (3D) crosslinked electrolyte with polymer poly(vinylidene fluoride) (PVDF) and polyethylene oxide

Origins of long-term oxygen reduction activity degradation at 700 °C in polymeric precursor-derived La0.6Sr0.4FeO3 (LSF) thin film cathodes were investigated. Electrochemical impedance spectroscopy measurements revealed that the LSF thin films pre-calcined at 900 °C (LSF-900) exhibited much faster electrochemical activity loss than did LSF pre-calcined at 700 °C (LSF-700). As similar losses in surface

A series of Ti-site deficient Li2CoTi3O8-based materials are synthesized by a simple citric-nitrate method. The elemental ratio is determined by X-ray diffraction (XRD) Rietveld refinement and X-ray photoelectron spectroscopy (XPS) measurement. Ti-deficiency is compensated by the increase of Co element valence, resulting in the excess Co3+/Co2+ and Co4+/Co2+ redox processes during cycling that allows

Different sources of the starting materials can influence the properties of the lithium-ion conductors. Two different sources of phosphorous are used to prepare NASICON type lithium-ion conductor Li1.3Al0.3Ti1.7(PO4)3 via a hydrothermal-assisted solid-state method in this paper. X-ray diffraction (XRD), Fourier transform infrared spectroscopy and scanning electron microscopy (SEM) are conducted to

Nickel ferrite nanoparticles were subjected to mechanochemical activation for ball milling times ranging from 0 to 12 h. The milling was performed with and without the addition of equimolar concentrations of graphene nanoparticles. Characterization of resulting nano-powders was undertaken by Mӧssbauer spectroscopy and magnetic measurements. The hyperfine magnetic field was studied as function of milling

We have measured water uptake and hydration enthalpy in 50% La and Nd doped CeO2, also to be taken as compositions in the series La2−xNdxCe2O7 (x = 0.0, 0.5, 1.0 and 2.0) using combined thermogravimetry (TG) and differential scanning calorimetry (DSC), TG-DSC. The TG-DSC data unambiguously yield standard molar hydration enthalpies of ~−74 kJ/mol independent of water uptake. The interpretation of the

A NASICON-type Li1.5Al0.5Ti1.5(PO4)3 (LATP) solid electrolyte was fabricated using a novel sol–gel approach with citric acid as a complex agent. An electrochemical impedance spectroscopy analysis shows that the ionic conductivity of the LATP solid electrolyte synthesized using the sol–gel route was low (8 × 10−5 S cm−1 at 303 K), owing to its large grain boundary impedance. To improve the ionic conductivity

High pressure experiments using diamond anvil cells with a quasi-hydrostatic pressure transmitting medium (helium or neon) and coupled with X-ray diffraction have very recently been reviewed and provided equations of state parameters with a unified pressure metrology for all data. Focusing on such an equation of state for LiF, which is a unique crystal possessing the largest reported band gap of any

Mg2Mo3O8 was synthesized by a solid-phase method in a high vacuum atmosphere. According to the combination of ICP-AES technique and Rietveld analysis for synchrotron X-ray and neutron diffraction patterns, the structure and composition of the synthesized material was identified as single phase of the layered Mg2Mo3O8 of P63mc space-group. Charge and discharge cycle tests showed that Mg2Mo3O8 with carbon

The solubilities of protons in 8YSZ single crystal and polycrystals at 600 °C were investigated using secondary ion mass spectrometry (SIMS). As a measure of proton solubility, deuteron solubility in YSZ was measured because of its lower background level in SIMS measurements. It became possible to quantitatively determine the solubility using a new analytical method proposed here, which includes a

Solid state batteries show great improvement of safety compared to batteries with liquid electrolytes. Polyethylene oxide (PEO) has been the most classic solid polymer electrolyte matrix. However, PEO based polymer electrolyte with lithium salt suffers from high crystallinity, poor Li+ transport kinetics and low ionic conductivity, especially at room temperature, which hindered its further application