High-temperature Conductivity Research Articles

Electric Field-Induced Ordered-Structural Aerogels Enable Superinsulation and Multifunctionality.

1D flexible fibers assembled 3D porous networked ceramic fiber aerogels (CFAs) are developed to overcome the brittleness of traditional ceramic particle aerogels. However, existing CFAs with disordered and quasi-ordered structures fail to balance the relationship between flexibility, robustness, and thermal insulation. Creating novel architectural CFAs with an excellent combination of performances has proven extremely challenging. In this paper, a novel strategy is adopted to fabricate porous mullite fibrous aerogels (MFAs) with ordered structures by combining fiber sedimentation and electric field-induced fiber alignment techniques. For the first time, electric field-induced alignment of ceramic fibers is utilized to prepare bulk aerogels on a large scale. The resulting MFAs exhibit ultra-low high-temperature thermal conductivity of 0.0830 W m-1 K-1 at 1000°C, anisotropic mechanical and sound absorption performances, and multifunctionality in terms of the combination of thermal insulation, sound absorption, and hydrophobicity. The successful synthesis of such fascinating materials may provide new insights into the design and development of multifunctional CFAs for various applications.

Low-energy hydrogen ion irradiation effect on the surface defects of powder metallurgy molybdenum

Molybdenum (Mo) and its alloy materials are used for key components such as fuel containers and first walls in future fusion energy systems due to their high melting point and excellent high-temperature strength, creep resistance, thermal conductivity, corrosion resistance and low sputtering rate. During fusion reactions, hydrogen ions come into direct contact with Mo and its alloy materials. The injection of low-energy hydrogen ions can cause serious damage to the surface and subsurface of Mo. The injection of low-energy hydrogen ions can cause serious damage to the surface and subsurface of Mo, including changes in microstructure, surface defects and surface roughness. In this paper, the irradiation damage behavior of powder metallurgy (PM) Mo under 100 eV hydrogen ion irradiation is comprehensively analyzed by scanning electron microscope, atomic force microscope and X-ray diffractometer. The results indicate that surface bubbling, corrosion, surface protrusions, and fuzzing are the main damage forms of Mo under low-energy hydrogen ion irradiation. With the increase of ion dose, some defects resembling trap caps appear inside the grains and gradually evolve into melt pits, deepening the etching behavior of the Mo surface. The damage will first preferentially occur on its own defects (such as holes), and the required dose will be greatly reduced. The surface roughness of Mo decreases first and then increases with the increase of irradiation dose. XRD analysis shows that there is no new precipitated phase in Mo after hydrogen ion irradiation, and its diffraction peak shifts to high angles. The surface of Mo exhibits radiation hardening phenomenon, and the increase in radiation dose makes the radiation hardening effect more pronounced. As the irradiation depth increases, the hardening effect of Mo gradually weakens.

Synthesis and investigation of structural and high temperature conduction mechanism of TiO2/N-GQDs nanocomposite thin films as a transparent conducting material

Synthesis and investigation of structural and high temperature conduction mechanism of TiO2/N-GQDs nanocomposite thin films as a transparent conducting material

Effect of bias voltage on high-temperature oxidation resistance and electrical properties of Mn–Co coating with metal interconnects for solid oxide fuel cell

Abstract This study investigated the effects of bias voltage on the microstructure, high-temperature oxidation resistance, electrical conductivity, element diffusion, and barrier of chromium poisoning cathode of Mn–Co coating on the surface of SOFCs metal interconnect SUS441 ferritic stainless steel. A series of Mn–Co coatings were prepared by magnetron sputtering technique at different bias voltages (−10, −50, −90 V) and oxidized at high temperatures for 175 h at 850 °C in an air environment. The results showed that the surface of each coating before oxidation exhibited a cauliflower-like morphology, with the crystallinity of the coating increasing with higher bias voltage. After high-temperature oxidation, especially the Mn–Co coatings prepared at −90 V bias, a dense and stable MnCo2O4 spinel structure was formed, which is crucial in inhibiting the growth of the Cr2O3 oxide layer. In addition, the coating also exhibits excellent electrical conductivity (Ea = 0.35 eV), good high-temperature oxidation resistance (1.182 mg cm−2), and a stronger ability to prevent the diffusion of Cr elements.

Deciphering the piezoelectric and conductive mechanisms of Nb-doped Bi3Ti1.5W0.5O9 high-temperature piezoelectric ceramics

The study utilizes Bi3Ti(1.5-x)NbxW0.5O9 (BTW-xNb, x=0.00, 0.01, 0.02, 0.04, 0.06) bismuth layered piezoelectric ceramics synthesized via a conventional solid-phase reaction process. This is the study to investigate the impact of B-site Nb ion doping on the structural and electrical properties of BTW-xNb ceramic. The results show that all ceramics have a single bismuth layer structure, with reduced lattice distortion according to Rietveld refinement findings. The presence of oxygen vacancies in the ceramic is the main factor that affects the high temperature conductivity of the samples. The XPS results, the increase in the activation energy of AC and DC conductivity confirm that doping with Nb5+ ions reduces oxygen vacancy concentration. The ceramics with the highest overall electrical performance are the BTW-0.02 Nb ceramics. Notably, the DC resistivity at 500 °C was enhanced from 9.16 × 105 Ω·cm (x = 0.00) to 8.24 × 106 Ω·cm. The TC was enhanced from 730 °C(undoped) to 743 °C. At 500 °C, tanδ decreases from 21.1 % to 8.2 %. The ceramic's increased resistivity increases the polarization voltage, resulting in more complete polarization. The d33 is increased from 7.5 pC/N (undoped) to 13 pC/N. Furthermore, the piezoelectric properties remain stable up to 700°C, suggesting that the material has considerable potential for use at elevated temperatures.

Electrolytes from Alkoxyalkyl-substituted Imidazolium ionic liquids. Synthesis, characterization, properties and cell performance in LiFePO4 half-cells

Electrolytes based on lithium bis(trifluoromethane)sulfonimide (LiTFSI) salt and alkoxyalkyl-substituted imidazolium ionic liquids (ILs) have been studied. We have synthesized three different 1-alkoxyalkyl-3-methylimidazolium TFSI salts with different chain lengths (from 4 to 10 atoms) and with one to three oxygen atoms at position 1- of the imidazole ring. Both the neat ILs as well as the cognate lithium doped electrolytes have been structurally and physicochemically characterized and electrochemically evaluated.Thermal analyses indicate that the glass transition temperature of the electrolytes is displaced to higher temperatures than those of the corresponding neat ILs, being also higher (more positive) upon increasing the number of oxyethylene units. On the other hand, all 1 M LiTFSI doped synthesized electrolytes are thermally stable up to 300 °C.Raman spectroscopy results indicate that the fraction of TFSI anions coordinated to lithium ion decreases on increasing the number of alkoxy units. This finding implies that there is more “free” lithium ion available to link to the ethereal oxygen of the side chain of the imidazolium ring system. This fact influences the ionic conductivity of the neat ILs and their cognate electrolytes.The electrochemical properties —namely high room temperature conductivities as well as wide electrochemical stability windows— indicate that these materials are promising electrolytes for lithium-ion batteries (LIBs). Lithium half-cells using LiFePO4 (LFP) olivine have been assembled in order to assess the electrochemical performance by means of both cyclic voltammetry and galvanostatic charge/discharge tests. Overall, we have found that the electrochemical performance of these cells is better than that reported 1 M LiTFSI [Pyr14][TFSI], a common electrolyte in LIBs. The generated half-cell from the 1-alkoxyalkyl-3-methylimidazolium TFSI salts possess a high capacity up to 145 mAh∙g−1 at a current of 2C.The results reported herein show a striking relationship between structure and properties.

Ultra-Low Loading Fillers Induced Excellent Capacitive Performance in Polymer-Based Multilayer Nanocomposites under Harsh Environments.

Multilayer-structured nanocomposites are recognized as a prominent strategy for overcoming the paradox between the breakdown strength (Eb) and polarization (P) to achieve superior energy storage performance. However, current multilayer-structured nanocomposites involving substantial quantities of nanofillers (>10vol.%) for high dielectric constant as polarization layer will inevitably deteriorate mechanical properties and breakdown strength. Herein, an innovative approach is reported to breaking conventional rules by designing a multilayered polymer composite with ultralow loading of Al2O3 nanoparticles, i.e., 0.3vol.% for polarization layers and 2vol.% for insulation layers. By modulating the spatial distribution of Al2O3 nanoparticles in polymer, a significantly increased interfacial dipole response is induced, and deep interfacial traps are constructed to capture the mobile charges, thereby suppressing high-temperature conduction loss. The resulting multilayered polymer composite exhibits an unparalleled discharged energy density of 7.8 Jcm-3 with a charging/discharging efficiency exceeding 90% at 150°C. This work provides valuable insights into achieving superior capacitive performance in multilayer composite films operating under extreme conditions.

Effects of Pr substitution in Y1-xPrxBaCo3ZnO7+δ (0 ≤ x ≤ 0.5) cathodes for intermediate temperature solid oxide fuel cells

In this investigation, we successfully synthesized a series of Swedenborgite-type Y1-xPrxBaCo3ZnO7+δ (x = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5, abbreviated as YPxBCZ) oxides by a solid-state reaction method. The results show that YPxBCZ (x = 0.0, 0.1, 0.2, and 0.3) are single-phase structures, but YP0.4BCZ and YP0.5BCZ show interesting self-assembled composite phases. After long-term phase stability testing, YP0.3BCZ showed the best thermal stability. All samples show good chemical and thermal compatibility with La0.9Sr0.1Ga0.8Mg0.2O3-δ electrolyte. The thermal expansion coefficients in the temperature range from 30 °C to 1000 °C are equal to 9.8-13.1 × 10−6 K−1, close to that of the LSGM electrolyte. It is also found that Pr doping improves high temperature conductivity of YPxBCZ. The conductivity of YP0.3BCZ, YP0.4BCZ, and YP0.5BCZ reach 15.1, 18.5, and 22.5 S cm−1 at 800 °C. In addition, the area specific resistance (ASR) value decreases as the Pr content increases (0.038, 0.033, and 0.027 Ω cm2 at 800 °C for YP0.3BCZ, YP0.4BCZ, and YP0.5BCZ), improving the catalytic activity of the material. Another interesting finding was that the ASR of samples subjected to high temperature thermal decomposition was not adversely affected by the presence of decomposition products. The maximum power densities of YP0.3BCZ, YP0.4BCZ, and YP0.5BCZ in the single cells at 800 °C were 845, 930, and 1044 mW cm2, respectively. These results indicate that YP0.3BCZ, YP0.4BCZ, and YP0.5BCZ are promising cathode materials for intermediate-temperature solid oxide fuel cell.

Sandwich-structured polymer dielectrics exhibiting significantly improved capacitive performance at high temperatures by roll-to-roll physical vapor deposition

Electrostatic capacitors with ultrahigh power density are the key components in modern electrical and electronic systems. Polymers are preferred dielectrics for high-voltage electrostatic capacitors, however, unable to meet the ever-growing high-temperature requirements in emerging applications, such as electric vehicles, and photovoltaic power generation. In this work, sandwich-structured Polyphenylene sulfide (PPS) films with Al2O3 as the coating layer have been prepared by using roll-to-roll magnetron sputtering. The incorporation of Al2O3 coating layers enhances the potential barrier height at the electrode/dielectric interface, thereby impeding charge injection from electrodes and suppressing high-temperature electrical conduction. Consequently, the sandwich-structured PPS films demonstrate significantly improved breakdown strengths and enhanced capacitive performance at elevated temperatures compared to neat PPS films. The roll-to-roll magnetron sputtering process employed in fabricating these sandwich-structured dielectric films is highly compatible with large-scale capacitor film production. Thus, sandwich-structured PPS films hold promise in addressing the challenge of scalable fabrication of high-performance, high-quality polymer films required for high-temperature capacitive energy storage.

Probing the thermophysical property mechanism of Mg2+-doped high-entropy oxide ceramics

To create thermal barrier coatings (TBCs) with superior thermal characteristics and high-temperature stability, understanding the microscopic process of heat transfer in high-entropy solid solutions is crucial. In this study, novel (Zr0.2(1-x)Ce0.2(1-x)Pr0.2(1-x)Y0.2(1-x)Ho0.2(1-x)Mgx)O2-δ single-phase high-entropy fluorite-structured oxides with varying Mg elemental contents were successfully synthesized at 1600 °C. Given the unique ionic radius and valence nature of Mg2+, the effects of varying the Mg doping amount on the thermophysical properties and microstructures were explored. Furthermore, the mechanism influencing high-temperature thermal conductivity was studied at the microscopic scale using first-principles calculations to clarify the nature of the thermal conductivity behavior. On one hand, an increase in oxygen vacancies leads to an enhancement of the lattice distortion degree and phonon scattering level. On the other hand, divalent Mg2+ activates the lattice via unequal substitutions, thereby reducing the thermal conductivity. The experimental and simulation results revealed that as Mg doping increases, the content of oxygen vacancies significantly increases, the degree of lattice distortion increases, phonon scattering is enhanced (19.54–21.37 THz), high-temperature thermal conductivity progressively decreases (1.91-1.20 w·m−1·K−1), and the coefficient of thermal expansion progressively increases (11.70 × 10−6-12.31 × 10−6 K−1). These results offer a novel approach for designing doped high-entropy strategies that can satisfy the performance requirements of TBCs.

Elucidation of amphoteric nature of Pr2O3 using XPS and conductivity measurement in lead-free NKBT host lattice

The study of the piezoelectric response in praseodymium-doped (Na0.41K0.09Bi0.5)TiO3 (NKBT) revealed an unusual behaviour at doping level near 0.5 and 1.0 at%. Although there is a marginal increment in the piezoelectric charge coefficients for samples with praseodymium doping of 0.5–1.0 at% compared to undoped NKBT, importantly, the response drastically diminishes for doping concentrations exceeding 1.0 at%. To comprehend the observed anomaly, X-ray photoelectron spectroscopy (XPS) and temperature dependent conductivity measurement was carried out. These investigations provided critical insights into the role of oxygen vacancy and the behaviour of praseodymium ions in the NKBT matrix. The XPS analysis revealed the presence of core level peak corresponding to O-1s with asymmetric broadening at higher energy side implying the presence of oxygen bound to the perovskite lattice (binding energy: 529.2±0.3 eV) along with oxygen vacancy (binding energy: 531.5±0.4 eV). The XPS study further revealed that the concentration of the oxygen vacancy is lowest around 0.5 at% of praseodymium doping and beyond this the oxygen vacancy increases. The high temperature conductivity measurement supported these findings by showing similar trends in the electrical conductivity. Both the XPS and conductivity measurements further corroborate the conjecture that praseodymium behaves as amphoteric ion. The praseodymium occupies the A-site of perovskite (Na0.41K0.09Bi0.5)TiO3 for lower praseodymium concentration (<1.0 at%), whereas for higher doping concentration (>1.0 at%) it occupies the B-site exhibiting acceptor like behavior that deteriorates the piezoelectric response.

High piezoelectric coefficient and thermal stability of BKT-BFPT ceramics with ex situ high depoling temperature at 520 °C

The in situ and ex situ temperature dependence of dielectric and piezoelectric properties of 0.1(Bi0.5K0.5)TiO3-0.6BiFeO3-0.3PbTiO3 (BKT-BFPT) ceramics were characterized, and related mechanisms were studied. The tetragonal distortion, Curie temperature Tc, depoling temperature Td, and piezoelectric coefficient d33 of BKT-BFPT are 0.06, 545 °C, 520 °C, and 205 pC/N, respectively. The in situ piezoelectric coefficient variation of BKT-BFPT ceramics from room temperature to 280 °C is only 10%, being 1/5 and 1/10 those of 0.36BiScO3-0.34PbTiO3 and Pb(Zr0.52Ti0.48)O3 ceramics. The better dielectric and piezoelectric thermal stabilities are owing to the temperature insensitive domain texture of BFPT-BKT ceramics due to their large lattice distortion. Resistivity results reflected that the higher depoling temperature derived from the ex situ measurement than that from the in situ test results from the high-temperature conductivity.

High-performance MIM-type aluminum electrolytic capacitors with durable waterproof and wide temperature window

Capacitors are indispensable components of electronic circuits. Filter capacitors, mainly dominated by electrolytic capacitors, are critical for the accurate power supply of integrated circuits for central processors and storage devices, affecting the performance of advanced and sophisticated electronic equipment. However, electrolytic capacitors are restricted in working temperatures (<150 °C) and humidity conditions due to the inherent characteristics of MnO2 or polymer cathodes that tend to deteriorate at high temperatures and moisture. Here, high temperature resistant and conductivity SnO2 cathode and MIM-like (SnO2/AAO/Al) structures are introduced into aluminum electrolytic capacitors via ALD technology. First achieved in a higher temperature window (-60 °C∼330 °C), the capacitor maintains a stable capacity (114.5 ± 3.6 μF/cm2) and phase angles (-89.5 ± 0.2°) at 120 Hz. The tight stacking and conformability of ALD even allows unencapsulated devices to exhibit durable waterproof, showing stable performance for immersion in water within 90 days. Moreover, a thin amorphous Al2O3 (A) as buffer layer is introduced at electrode/dielectric interface, aiming to barrier the interfacial atomic diffusion at the SnO2/AAO. A stable vdW SnO2/A/AAO interfaces is obtained, proven by MD and DFT calculations. Impressively, the capacitor exhibits high reliability with high breakdown field strength (5.5 MV/cm), low leakage current (7.2 × 10–7 A/cm2 at 1 V) and low loss (2% at 120 Hz). Applied in circuits, the capacitor filters 100 kHz signal with a Vripple of only 15 mV and shows excellent charging and discharging behaviors. The work may pave the way for the practical application of electrolytic capacitors in harsh working environments.

Intrinsic and extrinsic dielectric response of Sr0.95Nd0.05Fe12O19 nanoceramics doped with Sc3+ and Al3+ ions

ABSTRACT The dielectric response of M-hexaferrite nanoceramics is complex since it is determined by crystal structure and microstructure. We studied the dielectric behavior of Nd3+ modified Sr2 + Fe12O19 nanoceramics with ferric ions, responsible for magnetic properties, substituted by Sc3+ and Al3+. To compare the effect of different ionic radii we discussed the dielectric response of Sr0.95Nd0.05Fe12-xScxO19 and Sr0.95Nd0.05Fe12-xAlxO19 at the doping level of x = 1.08. The dielectric response was found to consist of four contributions: (i) Low-temperature dispersion of dielectric polarization created by doping-induced spin-canting. The polarization, described by the inverse Dzyaloshinskii-Moriya model, is in nanoceramics limited by the shape and size of the crystallites. (ii) Changes in relaxation modes of polar vacancies due to interaction with electric dipole moments modified by deformation of oxygen octahedra. (iii) Dielectric dispersion in room temperature range related to space charge relaxation in grain boundaries. (iv) High-temperature electric conductivity of the grain interiors.

Unusual negative thermal expansion of inter-cluster –C–BC–C– bond in carbon rich boron carbide observed using in situ x-ray diffraction technique

Temperature dependent bonding behavior plays a significant role in deciding properties of high temperature ceramics like boron carbide. However, few studies to date have addressed the physical properties of this class of materials with respect to their temperature dependent bonding nature. In addition, materials with the flexibility to accommodate variations in interatomic bonding and lattice vibrations over a wide range of temperatures are less known. In this work, temperature dependent structural analyses of carbon-rich boron carbide microflakes using in situ powder x-ray diffraction techniques (up to 1000 °C) supported by transmission electron microscopy measurements reveal that while most bonds in the rhombohedral structure increase in length with temperature; there is no change in certain bond lengths. However, there is an unusual decrease in length (∼1.03%) of the inter-cluster –C–(central boron)BC–C– without any polyhedral redistribution. This is accompanied by an increase in lattice vibrations without significant alteration to the crystal structure over the wide temperature range studied. Temperature dependent micro-Raman experiments further confirmed the above observations. The above bonding behavior could be directly correlated to the trends in reported results of high temperature conductivity via the model of hole hopping through specific atomic positions of the rhombohedral framework, thus opening the scope to investigate structure–property relationships in high temperature functional materials.

Ab-initio insights into the mechanical, phonon, bonding, electronic, optical and thermal properties of hexagonal W2N3 for prospective applications

We thoroughly investigated the structural, mechanical, electronic, vibrational, optical, thermodynamic, and a number of thermophysical properties of W2N3 compound through first-principles calculations using the DFT based formalism. The calculated structural parameters show very good agreement with the available theoretical and experimental results. The mechanical and dynamical stabilities of this compound have been investigated theoretically from the elastic constants and phonon dispersion curves. The Pugh's and Poisson's ratios of W2N3 are located quite close to the brittle/ductile borderline. W2N3 is elastically anisotropic. The calculated electronic band structure and density of states reveal that W2N3 is conducting in nature. The Fermi surface topology has also been explored. The analysis of charge density distribution map shows that W atoms have comparatively high electron density around compared to the N atoms. Presence of covalent bondings between W–N, W–W, and N–N atoms are anticipated. High melting temperature and high phonon thermal conductivity of W2N3 imply that the compound has potential to be used as a heat sink system. The optical characteristics show anisotropy. The compound can be used in optoelectronic devices due to its high absorption coefficient and low reflectivity in the visible to ultraviolet spectrum. Furthermore, the quasi-harmonic Debye model is used to examine temperature and pressure dependent thermal characteristics of W2N3 for the first time.

The synergistic effect of Zn2+ doping and NaF interfacial melting aid increases the ionic conductivity of Na3Zr2Si2.2P0.8O12

All-solid-state sodium batteries, renowned for their leak-proof nature and enhanced safety profile, have become a pivotal focus of research. Their viability hinges on the development of robust solid electrolyte materials. Among these, Na3Zr2Si2PO12 (NZSP) stands out as a particularly promising candidate. However, the practical utility of NZSP has been limited by its relatively modest room temperature conductivity. This paper introduces a novel modification strategy aimed at significantly enhancing room temperature conductivity of NZSP. In the series of experiments, NSZP was synthesized by traditional sintering process with Zn2+ doping and NaF additives. Through the substitution of Zr4+ ions with Zn2+ ions, this innovative approach not only raises the sodium ion concentration but also expands the bottleneck regions within the Na ion transport pathways. This augmentation ultimately translates into heightened grain conductivity. Additionally, the incorporation of NaF during the sintering process induces crystal growth in NZSP, thereby reducing grain boundary concentration and further amplifying grain conductivity's contribution to the overall ionic conductivity. Employing conventional sintering techniques, we successfully synthesized Na3.3Zr1.95Zn0.05Si2.2P0.8O12-0.25NaF (−0.25 NaF indicates that 0.25 mol NaF was added during sintering) electrolyte samples, which demonstrated an impressive high room temperature conductivity of 2.2 × 10−3 S cm−1. This value surpasses the ionic conductivity of undoped NZSP electrolytes by approximately an order of magnitude. Moreover, the Na3.3Zr1.95Zn0.05Si2.2P0.8O12-0.25NaF electrolyte exhibits a remarkable electrochemical window extending up to 4.9 V, accompanied by exceptional cycling stability. These properties render it an ideal candidate for a diverse array of cathode materials.

Effect of TiC addition on microstructure and properties of network structured TiC–ZrO2 composite conductive ceramics

Zirconia (ZrO2) ceramics have excellent mechanical properties and high-temperature conductivities. However, ZrO2 ceramics do not possess room-temperature conductivity, which significantly limits their application as functional components in smart communication devices and wearable smart products. To achieve room-temperature conductivity in ZrO2 ceramics, this study prepared a network-structured TiC–ZrO2 composite conductive ceramic with a low titanium carbide (TiC) addition using pressureless sintering. The influence of the TiC addition on the microstructure, mechanical properties, and electrical properties of the TiC–ZrO2 composite material was investigated. The results showed that the composite material consists of cubic zirconia (c-ZrO2), tetragonal zirconia (t-ZrO2), and titanium carbide (TiC) phases. When the TiC content was 11 vol %, the relative density, open porosity, flexural strength, and fracture toughness of the sample were 98.6 ± 0.1 %, 0.16 ± 0.06 %, 383 ± 38 MPa, and 4.66 ± 0.26 MPa m1/2, respectively. The electrical percolation threshold of the TiC–ZrO2 composite was between 8.0 and 11.0 vol %. When the TiC content is 18.8 vol %, the sample exhibited the lowest room-temperature resistivity of 3.00 × 10−5 Ω m. The electrical resistance of the TiC–ZrO2 composite material is mainly attributed to the grain boundary effect. With increasing TiC content, the resistivity of the composite material decreased, exhibiting linear conductivity and achieving conductive percolation characteristics.

Synthesis and properties of Sr doped Pr2NiO4 cathode material for intermediate temperature solid oxide fuel cells

A series of cathode materials of Pr2-xSrxNiO4 (x = 0, 0.3, 0.5, 0.7, 1, 1.5) are synthesized by the EDTA-citric acid route. The results show that the Pr1.7Sr0.3NiO4, Pr1.5Sr0.5NiO4, Pr1.3Sr0.7NiO4 and PrSrNiO4 exhibit excellent structural stability and carbon dioxide resistance, and also exhibit good chemical compatibility and thermal matching with the SDC electrolyte. It is also found that the Sr doping is beneficial in improving the high temperature conductivity of Pr2-xSrxNiO4. At 800 °C, the electrical conductivity of Pr1.5Sr0.5NiO4 and Pr1.3Sr0.7NiO4 reaches 185 S cm−1 and 317 S cm−1, respectively. In addition, the area-specific resistance (ASR) value increases significantly with Sr doping, which reduces the catalytic activity of the material. Acceptable ASR values are obtained for Pr1.5Sr0.5NiO4 and Pr1.3Sr0.7NiO4, with ASR values of 0.079 Ω cm2 and 0.082 Ω cm2 at 800 °C, respectively. Additionally, the most interesting result is the ASR value obtained after high-temperature thermal decomposition of Pr2NiO4, where Pr2NiO4* (decomposed) has the lowest ASR value of only 0.027 Ω cm2 at 800 °C, showing the best catalytic activity. The maximum power densities of Pr2-xSrxNiO4 (x = 0.5 and 0.7) and Pr2NiO4* are found to be 515, 430, and 548 mW cm−2 at 800 °C, respectively. These results show that when the Sr doping amount is less than 1.5, the stability of the Pr2-xSrxNiO4 cathode material can be effectively improved, but its catalytic performance is partially sacrificed.

Investigation of the effects of rare earth element doping on the thermophysical properties of Gd2Zr2O7 by first principles

Gd2Zr2O7 is one of the most promising new generation of ceramic materials for high temperature thermal barrier coatings. However, it still has great potential of improving thermal and mechanical properties and contributing tobetter thermal cycling performance of the coating. Doping rare earth elements in Gd2Zr2O7 is an effective method to enhance its thermal and mechanical properties. In this paper, the first principles is used to calculate the thermophysical properties of doped Gd2Zr2O7 with 16 rare earth elements, including modulus of elasticity, Debye temperature, minimum high-temperature thermal conductivity, high temperature thermal expansion coefficient, and fracture toughness, by which all doped Gd2Zr2O7 ceramics were ranked using the entropy method. The results show that doping with Pr, Sm, Yb, and Nd showed superior comprehensive performance. Specially, (Gd0.875Pr0.125)2Zr2O7 has the lowest Young's modulus of 244 MPa, Pugh ratio of 0.53, Debye temperature of 523.4 K, thermal conductivity of 1.27 W/(m·K), and the largest coefficient of thermal expansion of 9.19 × 10−6 K−1, and (Gd0.875Ho0.125)2Zr2O7 has the highest fracture toughness of 2.21 MPa·m1/2.