To improve the Li ion conductivity in a glass-ceramic solid electrolyte, the microstructural control for Li2S-P2S5 glass ceramics was investigated based on crystallization kinetics. 75Li2S∙25P2S5 (mol.%) glass was synthesized by a ball-milling method, and glass-ceramics were prepared by crystallization with heat treatment at various temperatures with appropriate holding times. Crystallization kinetics—nucleation

Suflfonated polysulfone (sPSU) ionomer has recently emerged as very promising alternative to perfluorinated membranes in proton exchange membrane fuel cell applications. To elucidate the effect of membrane fabrication process on the final properties of the films, sPSU membranes were prepared by two of the most common preparation procedures, that are mechanical extrusion by doctor blade or recast process

The influence of different amounts of Mn2+ contaminants on mechanical, dynamical, and structural properties of a solid electrolyte interphase (SEI) has been studied using atomistic molecular dynamics and Monte-Carlo simulations employing the many-body polarizable APPLE&P force field. Bulk SEI systems comprised of amorphous Li2CO3 with some fraction of cations replaced with Mn2+ ions have been investigated

In order to understand the hydrogen oxidation reaction (HOR) mechanism in real Ni/YSZ porous anodes, the electrochemical properties as a function of hydrogen partial pressure p(H2) and water vapor pressure p(H2O) (dry, 1% - 60% humidity) at 973 K of a commercial anode-supported solid oxide fuel cell (SOFC) were measured. The impedance spectra from electrochemical impedance spectroscopy (EIS) measurement

Oxide interfaces have attracted a huge amount of interest in recent years due to their novel functionalities that are not possible in bulk. Here we employ atomistic simulation techniques to study the defect properties and oxygen ion migration energy in bulk SrTiO3, LaCrO3 and SrTiO3–LaCrO3 interface. The SrO and La2O3 “Schottky-like” defects are found to be the most favourable intrinsic defects in

Electrical conductivity relaxation (ECR) is a widely adopted technique for determination of oxygen surface exchange coefficient (kchem) and chemical oxygen diffusivity (Dchem) of mixed ionic and electronic conductors (MIECs). However, it has been argued that the fitting process of determining two kinetic parameters from a single conductivity relaxation curve inevitably leads to high error in the determined

The demand for clean and sustainable energy has garnered great interest in new energy materials. Among them, high temperature proton-conducting perovskite oxides are, or can be widely used in clean energy applications (including fuel cells, electrochemical reactors, solid-state separators and supports of catalytic components via various reduction and oxidation reactions) in the intermediate temperature

The atomic mobility descriptions for Y and O in both α-Y(O) and α-Y2O3 were first assessed by means of CALculation of PHAse Diagram approach based on the critically-reviewed diffusivities available in the literature. The diffusion anisotropy in α-Y(O) with hcp structure and the short-circuit diffusion in both α-Y(O) and α-Y2O3 were taken into account. Based on the assessed atomic mobilities together

Liquid-phase synthesis for solid electrolytes has received considerable attention owing to its shape control, with the potential to produce particles easily on a large scale, and its low cost and energy consumption. However, solid electrolytes prepared through liquid-phase synthesis have been shown to have lower ionic conductivity than solid electrolytes prepared through the mechanical milling method

This work is focused on the evaluation of oxygen semi-permeation performances of free cobalt perovskite membrane materials, Ba1-xSrxFeO3-δ perovskites. A wide range of Ba and Sr contents was studied. The best performances were obtained for Ba0.9Sr0.1FeO3-δ perovskite membranes with oxygen fluxes of 4.1 10−3 mol.m−2.s−1 at 850 °C. For a better understanding of the rate determining step of oxygen transport

The oxygen content in the double perovskite NdBaCo2O6-δ was measured as a function of oxygen partial pressure (1–10−5 atm) at different temperatures (623–1323 K) using thermogravimetry analysis (TG) and coulometric titration technique. The defect structure model of the oxide studied was proposed and successfully verified using the pO2 – T – δ data, yielding the enthalpies and entropies of the defect

Lithium-rich layered cathode materials recently arouse highly attention for the high discharge capacities over conventional cathode materials, but trapped for severe voltage decay, poor cycling stability and inferior rate performance upon cycling. In this work, introducing Cs ions into the Li layer is employed to prepare Cs+-doped cathode material Li1.2Mn0.54Ni0.13Co0.13O2 via a simple sol-gel method

Nick-rich lithium metal oxides with the virtues of high capacity and relative low-cost are considered as the promising cathode materials for high energy lithium ion batteries (LIBs). Herein, the P and F ions are introduced to co-dope into the crystal structure of commercial LiNi0.6Co0.2Mn0.2O2 (NCM622) at transition-metal layers and oxygen sites, respectively. Thus, the lattice parameters of NCM622

The present work examines the effect of sintering temperature on the phase formation and the conductivity of Na0.54Bi0.46Ti0.99Mg0.01O3-δ. The formation of the secondary phase and the poor grain boundary conductivity are a few major concerns in this recently developed material. Polycrystalline bulk specimens are fabricated through conventional pressureless sintering at different temperatures of 930 °C

Cubic Li7La3Zr2O12 (c-LLZO) is considered as one of the promising electrolytes for all-solid-state lithium-ion batteries, owing to its high Li ionic conductivity and chemical stability against Li anode. The c-LLZO/Li interface, as a Li-ion transport structure which affects the charge-discharge cycle of Li metal batteries, remains to be fully understood at present, especially on the atomic-level. Here

Layered titanoniobates are a versatile class of layered oxide materials and due to high theoretical capacities have been investigated for use in lithium batteries. Unfortunately, bulk titanoniobates often suffer from poor cycling performance or long charge/discharge durations especially during early cycling. Traditionally the materials have been synthesized as nanosheets, nanofibers or nanoparticles

Ion mobility and conductivity of Rb0.4Bi0.60–xInxF2.2 (x = 0, 0.05, 0.1, 0.15) solid solutions with fluorite structure have been investigated using 19F NMR, X-ray diffraction and impedance spectroscopy methods. Several types of fluoride ions in the solid solution composition were found by analyzing the 19F NMR spectra at 150 K. Attribution of fluoride ions to the specific sublattice was carried out

The release of toxic and harmful gases seriously endangers human health and social and environmental safety. Sensitive determination of these gases is urgently needed to meet the demands of people and society. ZnO-based gas sensors have been widely used due to fast response, low detection limit, high selectivity, reliable performance and low manufacturing cost. In this review, we highlight the possible

Nickel-rich layered LiNi0.8Co0.1Mn0.1O2 is a promising cathode material due to its high specific capacity. However, commercial application of this material is impeded by its rapid capacity degradation associated with structural instability. In this work, 0.5–2 mol% Nb5+ doped LiNi0.8Co0.1Mn0.1O2 cathode material is prepared by heat treatment of a mixture of stoichiometric amounts of nano-sized Nb2O5

Proton conducting oxide electrolytes find potential application in proton ceramic fuel cells and electrolyzers operating at intermediate temperatures, e.g. 400–600 °C. However, state-of-the-art proton conducting ceramics based on Y-doped BaZrO3 (BZY) have lower thermal expansion coefficient (TEC) than most commonly applied or conceived supporting electrode structures, making the assembly vulnerable

The classical 1D continuum model of oxygen exchange in a porous mixed conductor (bulk path) is presented in terms of Linear Sweep Voltammetry (LSV) and Cyclic Voltammetry (CV). We show that, from a formal point of view, it corresponds to an insertion, diffusion and chemical reaction mechanism. Some general rules for LSV/CV curves are established. Using a dimensionless description, we evidence eight

Gel polymer electrolytes (GPEs) have attracted abundant attentions due to its higher ion conductivity and better compatibility with electrode than the inorganic solid-state electrolytes and safer than the liquid electrolytes. In this work, sodium conductive Na3Zr2Si2PO12 nanoparticles modified PVDF-HFP/PMMA/TPU-based GPEs are prepared and its application performances in sodium ions batteries (SIBs)

We examine the ionic migration of Li in LATP [Li1+xAlxTi2−x(PO4)3] solid electrolytes from an atomistic viewpoint by means of density functional theory calculations. We vary the Al content and investigate its effects on the crystal structure of LATP and on the migration energy landscape of interstitial Li ions. The energy profiles governing the Li diffusion are found to be systematically influenced

Oxidation states of cations in a perovskite structure play an important role for conductivity in solid oxide electrochemical cells. For bulk materials oxidation states can be calculated for specific conditions, but is not well understood for micro−/nanostructured materials and at interfaces between materials. We present a fundamental study of interfaces between La0.6Sr0.4CoO3-δ (LSC) and yttria-stabilized

This paper describes a study of the nature and the mechanism of ion transfer in Ca6.25Pb4.25(VO4)7 with β-Ca3(PO4)2-type structure by the Tubandt method. The comparison of weight change to the quantity of electricity passed through the stack allowed us to state that migration of both Ca2+ and Pb2+ cations was present. The transference numbers were found to be 0.33 and 0.67 for Ca2+ and Pb2+ cations

Here, an effective approach to obtain controllable thin carbon layer encapsulated MoS2 nanospheres on the surface of interwoven carbon nanotubes to form interconnected network structure of C-MoS2/CNTs composites is presented by a facile hydrothermal method. The remarkable electrochemical performance of the resulting composites as anode electrode materials are achieved for Na-ion energy storage systems

The ionic conductivity in lithium borate glasses RLi2O-B2O3 is believed to be related to the number of loose lithium ions, calculated using the topological constraint theory, increasing significantly when 0 ≤ R ≤ 0.5 and reaching a plateau when 0.5 ≤ R ≤ 1.0, and increasing once again when R ≥ 1.0. To test this new proposed approach, high content lithium oxide glasses were prepared (up to R = 1.85)

The objective of this work is to search for a new kind of electrolyte with enhanced performance to work for Solid Oxide Fuel Cells (SOFCs). ZnO which is one of the most important II-IV compound semiconductors is added to Ce0.8Gd0.2O1.9 (GDC) to improve the electrical properties of the electrolyte. The XRD results reveal that ZnO doesn't affect the XRD pattern of doped cerium. The structure is composed

Solid polymer electrolytes (SPEs), comprising lithium fluorinated sulfonimide including Li[(FSO2)(RFSO2)N] (RF = n-CmF2m+1, m = 0 (LiFSI), 1 (LiFTFSI), 2 (LiFPFSI), and 4 (LiFNFSI)) and Li[(CF3SO2)2N] (LiTFSI) as conducting salt and poly(ethylene oxide) (PEO) as polymer matrix, are utilized for investigating the impact of anionic structure of lithium salt on the performances of rechargeable lithium

The formation of dendrites and other protrusions on lithium metal anodes is a subject of continued interest due to the potential to incorporate these anodes in next-generation rechargeable batteries with increased energy densities. Solid polymer electrolytes show improved stability against lithium metal compared to liquid carbonate electrolytes. We have studied the effect of salt concentration on the

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