On the influence of the vacancy distribution on the structure and ionic conductivity of A-site-deficient Li(x)Sr(x)La(2/3-x)TiO3 perovskites

The crystal structure and dielectric properties of slowly cooled A-site-deficient perovskites Li(x)Sr(x)La(2/3-x)□(1/3-x)TiO(3) (0.04 ≤ x ≤ 0.33) have been investigated by powder X-ray diffraction (XRD), impedance spectroscopy, and (7)Li NMR techniques. In this series, nominal vacancies decrease with Li content, but the total amount of A-site vacancies, n(t) = Li + □, participating in conduction processes remains basically constant. Rietveld analysis of the XRD patterns showed a change of symmetry from orthorhombic to tetragonal when the lithium and strontium contents increased above x = 0.08 and from tetragonal to cubic above x = 0.16. Structural modifications are mainly due to the cation vacancy ordering along the c axis, which disappear gradually when the lithium content increases. In agreement with the structural information, two lithium signals with different quadrupole constants are detected in (7)Li NMR spectra of orthorhombic/tetragonal phases, which have been associated with lithium in two crystallographic z/c = 0 and 1/2 planes of perovskites. In cubic samples, only a single narrow component, indicative of mobile species, was detected. Lithium motion was thermally activated, with activation energies going from 0.35 to 0.38 eV. Evolution of the bulk dc-conductivity preexponential factors along the series showed a maximum that has been first related to the dependence of lithium hopping on the lithium and vacancy concentrations. Finally, changes in the vacancy ordering, produced along the series, affect the dimensionality of the conductivity, indicating that not only the amount of vacancies but also its distribution are relevant.     

Li(+) ion conductivity in rock salt-structured nickel-doped Li(3)NbO(4)

Two mechanisms of doping Li(3)NbO(4), which has an ordered, rock salt superstructure, have been established. In the "stoichiometric mechanism", the overall cation-to-anion ratio is maintained at 1:1 by means of the substitution 3Li(+) + Nb(5+) --> 4Ni(2+). In the "vacancy mechanism", Li(+) ion vacancies are created by means of the substitution 2Li(+) --> Ni(2+). Solid solution ranges have been determined for both mechanisms and a partial phase diagram constructed for the stoichiometric join. On the vacancy join, the substitution mechanism has been confirmed by powder neutron diffraction; associated with lithium vacancy creation, a dramatic increase in Li(+) ion conductivity occurs with increasing Ni content, reaching a value of 5 x 10(-4) Omega(-1) cm(-1) at 300 degrees C for composition x= 0.1 in the formula Li(3-2x)Ni(x)NbO(4). This is the first example of high Li(+) ion conductivity in complex oxides with rock salt-related structures.     

Relationship between the electrochemical behavior and Li arrangement in Li(x)M(y)Mn(2-y)O4 (M = Co, Cr) with spinel structure

The relationship between the electrochemical behavior and the arrangement of lithium/vacancies has been investigated with electrochemical Li removal in Li(x)M(y)Mn(2-y)O4 (x < or = 1.0, 0.0 < or = y < or = 0.3, M = Co, Cr). It was shown that the electrochemical removal proceeds via two voltage regions: (1) approximately 3.9 V at x > or = approximately 0.5 and (2) approximately 4.2 V at x < or = approximately 0.5. To understand the stepwise behavior, entropy measurement of reaction, DeltaS(obs), was performed by using the electrochemical methods. The changes of the sign in deltaS(obs) from negative to positive at the composition x approximately 0.50 in Li(x)M(y)Mn(2-y)O4 indicated that the ordered arrangement of Li/vacancies was formed with electrochemical Li removal. Moreover, such an ordering was suppressed by the substitution of Co3+ and Cr3+ for Mn3+. To clarify the nature and origin of Li/vacancy ordering, the Monte Carlo simulation was performed in view of Coulombic interaction. The simulation reproduced the formation of a new phase arising from Li/vacancy ordering at x = 0.50 in Li(x)Mn2O4. In addition, the ordered arrangement of Li/vacancy at x = 0.5 was perturbed by the trivalent M3+ replacement in spinel structure due to the local clustering of Li+ around M3+. Consequently, the electrochemical behavior in spinel LiMn2O4 was deeply related to the Coulombic interactions, proved by the fact that experimentally observed changes in entropy agreed well with Monte Carlo simulation based on the Coulombic interaction.     

Structure, stoichiometry and transport properties of lithium copper nitride battery materials: combined NMR and powder neutron diffraction studies

A combined NMR and neutron diffraction study has been carried out on three Li(3-x-y)Cu(x)N materials with x=0.17, x=0.29 and x=0.36. Neutron diffraction indicates that the samples retain the P6/mmm space group of the parent Li(3)N with Cu located only on Li(1) sites. The lattice parameters vary smoothly with x in a similar fashion to Li(3-x-y)Ni(x)N, but the Li(2) vacancy concentration for the Cu-substituted materials is negligible. This structural model is confirmed by wideline (7)Li NMR spectra at 193 K which show three different local environments for the Li(1) site, resulting from the substitution of neighbouring Li atoms in the Li(1) layer by Cu. Since the Cu-substituted materials are only very weakly paramagnetic, variable temperature (7)Li wideline NMR spectra can be used to measure diffusion coefficients and activation energies. These indicate anisotropic Li(+) diffusion similar to the parent Li(3)N with transport confined to the [Li(2)N] plane at low temperature and exchange between Li(1) and Li(2) sites dominant at high temperature. For the intra-layer process the diffusion coefficients at room temperature are comparable to Li(3)N and Li(3-x-y) Ni(x)N, while E(a) decreases as x increases in contrast to the opposite trend in Ni-substituted materials. For the inter-layer process E(a) decreases only slightly as x increases, but the diffusion coefficients at room temperature increase rapidly with x.     

6/7Li NMR study of the Li1-zNi1+zO2 phases

A series of Li1-zNi1+zO2 materials have been synthesised by the coprecipitation route. An X-ray diffraction study was carried out on these materials using the Rietveld method to determine the departure from the ideal stoichiometry z, which ranges from 0 to 0.138. The actual Li/Ni ratio was also checked by chemical analyses using inductively coupled plasma (ICP) for each sample. The stoichiometric sample (z approximately 0) was obtained using a 15% Li excess. (6/7)Li NMR results from LiNiO2 (z approximately 0) show that the asymmetric shape of the NMR signal is due to anisotropy. Calculations give evidence that the paramagnetic dipolar interaction from the electron spins carried by Ni is anisotropic but does not completely explain the experimental anisotropy. (6)Li MAS NMR (magic angle spinning NMR) experiments and temperature standardisation NMR measurements unambiguously assign the isotropic position at +726 ppm. The static-echo NMR spectra of the non-stoichiometric Li1-zNi1+zO2 phases also exhibit an asymmetric shape whose width increases with the departure from the ideal stoichiometry z. (6/7)Li static and MAS NMR show that the 2zNi(2+) ions thus formed modify the dipolar interaction within the materials and also affect the Fermi contact interaction, since a distribution of Li environments is observed using (6)Li NMR for non-stoichiometric samples.     

Influence of vacancy ordering on the percolative behavior of (Li(1)(-x)Na(x))(3y)La(2/3-y)TiO(3) perovskites

Influence of the vacancy concentration on the Li conductivity of the (Li(1-x)Na(x))(0.2)La(0.6)TiO(3) and (Li(1-x)Na(x)(0.5)La(0.5)TiO(3) perovskite series, with 0 < or = x < 1, has been investigated by neutron diffraction (ND), impedance spectroscopy (IS), nuclear magnetic resonance (NMR), and Monte Carlo simulations. In both series, Li(+) ions occupy unit cell faces, but Na(+) ions are located at A sites of the perovskite. From this fact, the amount of vacant A sites that participate in Li conductivity is given by the expression n(v) = [Li] + square, where square is the nominal vacancy concentration. Substitution of Li by Na decreases the amount of vacancies, reducing drastically the Li conductivity when n(v) approaches the percolation threshold of the perovskite conduction network. In disordered (Li(1-x)Na(x))(0.5)La(0.5)TiO(3) perovskites, the percolation threshold is 0.31; however, in ordered (Li(1-x)Na(x))(0.2)La(0.6)TiO(3) perovskites, this parameter changes to 0.26. Near the percolation threshold, the amount of mobile Li species deduced by (7)Li NMR spectroscopy is lower than that derived from structural formulas but higher than deduced from dc conductivity measurements. Conductivity values have been explained by Monte Carlo simulations, which assume a random walk for Li ions in the conduction network of the perovskite. In these simulations, distribution of vacancies conforms to structural models deduced from ND experiments.     

NMR study of Li+ ion dynamics in the perovskite Li(3x)La(1/3-x)NbO3

(7)Li and (6)Li nuclear magnetic resonance (NMR) experiments are carried out on the perovskite Li(3x)La(1/3-x)NbO(3). The results are compared to those obtained on the titanate Li(3x)La(2/3-x)TiO3 (LLTO) in order to investigate the effect, on the lithium ion dynamics, of the total substitution of Nb(5+) for Ti(4+) in the B-site of the ABO(3) perovskites. The XRD patterns analysis reveals that this substitution leads to a change in the distribution of the La(3+) ions in the structure. La(3+) ions distribution is very important, in regard to ionic conductivity, because these immobile ions can be considered as obstacles for the long-range Li+ motion. If compared to the titanates, the compounds of the niobate solid solution have a bigger unit cell volume, a smaller number of La(3+) ions, and a higher number of vacancies. These should favor the motion of the mobile ions into the structure. This is not experimentally observed. Therefore, the interactions between the mobile species and their environment greatly influence their mobility. (7)Li and (6)Li NMR relaxation time experiments reveal that the Li relaxation mechanism is not dominated by quadrupolar interaction. (7)Li NMR spectra reveal the presence of different Li+ ion sites. Some Li+ ions reside in an isotropic environment with no distortion, some others reside in weakly distorted environments. T(1), T(1)(rho), and T(2) experiments allow us to evidence two motions of Li+. As in LLTO, T(1) probes a fast motion of the Li+ ions inside the A-cage of the perovskite structure and T(1)(rho) a slow motion of these ions from A-cage to A-cage. At variance with what has been observed in LLTO, these different Li+ ions can be differentiated through the spin-lattice relaxation times, T(1) and T(1)(rho), as well as through the transverse relaxation time, T(2).     

Evolution of structure, transport properties and magnetism in ternary lithium nitridometalates Li(3-x-y)M(x)N, M = Co, Ni, Cu

The structures, magnetism and ion transport properties of the ternary nitrides Li(3-x-y)M(x)N (M = Co, Ni, Cu; y= lithium vacancy) were examined by powder X-ray diffraction, solid-state NMR and SQUID magnetometry. Doping levels are achieved up to x approximately = 0.4 for M = Cu and Co, but much higher substitution levels (x approximately =1) are obtained in the Li-Ni-N system. Transition metals substitute for Li at the Li(1) interplanar site and the ensuing lithium vacancies are disordered within the [Li(2)N] planes. High substitution levels in the Li-Ni-N system lead to the formation of ordered phases. Diffusion parameters, including activation energies, correlation times and diffusion coefficients, were obtained from variable-temperature solid-state NMR measurements in several ternary compounds. SQUID magnetometry shows significant variations of the electronic properties with dopant and x. The properties of the ternary nitrides can be rationalised in terms of the identity of the dopant and the structural modifications arising from the substitution process.     

(7)Li NMR and two-dimensional exchange study of lithium dynamics in monoclinic Li(3)V(2)(PO(4))(3)

High-resolution solid-state (7)Li NMR was used to characterize the structure and dynamics of lithium ion transport in monoclinic Li(3)V(2)(PO(4))(3). Under fast magic-angle spinning (MAS) conditions (25 kHz), three resonances are clearly resolved and assigned to the three unique crystallographic sites. This assignment is based on the Fermi-contact delocalization interaction between the unpaired d-electrons at the vanadium centers and the lithium ions. One-dimensional variable-temperature NMR and two-dimensional exchange spectroscopy (EXSY) are used to probe Li mobility between the three sites. Very fast exchange, on the microsecond time scale, was observed for the Li hopping processes. Activation energies are determined and correlated to structural properties including interatomic Li distances and Li-O bottleneck sizes.     

Probing Cation and Vacancy Ordering in the Dry and Hydrated Yttrium-Substituted BaSnO(3) Perovskite by NMR Spectroscopy and First Principles Calculations: Implications for Proton Mobility

Hydrated BaSn(1-x)Y(x)O(3-x/2) is a protonic conductor that, unlike many other related perovskites, shows high conductivity even at high substitution levels. A joint multinuclear NMR spectroscopy and density functional theory (total energy and GIPAW NMR calculations) investigation of BaSn(1-x)Y(x)O(3-x/2) (0.10 ≤ x ≤ 0.50) was performed to investigate cation ordering and the location of the oxygen vacancies in the dry material. The DFT energetics show that Y doping on the Sn site is favored over doping on the Ba site. The (119)Sn chemical shifts are sensitive to the number of neighboring Sn and Y cations, an experimental observation that is supported by the GIPAW calculations and that allows clustering to be monitored: Y substitution on the Sn sublattice is close to random up to x = 0.20, while at higher substitution levels, Y-O-Y linkages are avoided, leading, at x = 0.50, to strict Y-O-Sn alternation of B-site cations. These results are confirmed by the absence of a "Y-O-Y" (17)O resonance and supported by the (17)O NMR shift calculations. Although resonances due to six-coordinate Y cations were observed by (89)Y NMR, the agreement between the experimental and calculated shifts was poor. Five-coordinate Sn and Y sites (i.e., sites next to the vacancy) were observed by (119)Sn and (89)Y NMR, respectively, these sites disappearing on hydration. More five-coordinated Sn than five-coordinated Y sites are seen, even at x = 0.50, which is ascribed to the presence of residual Sn-O-Sn defects in the cation-ordered material and their ability to accommodate O vacancies. High-temperature (119)Sn NMR reveals that the O ions are mobile above 400 °C, oxygen mobility being required to hydrate these materials. The high protonic mobility, even in the high Y-content materials, is ascribed to the Y-O-Sn cation ordering, which prevents proton trapping on the more basic Y-O-Y sites.     

Li mobility in Nasicon-type materials LiM2(PO4)3, M = Ge, Ti, Sn, Zr and Hf, followed by 7Li NMR spectroscopy

Lithium mobility in LiM(2)(PO(4))(3) compounds, M = Ge and Sn, has been investigated by (7)Li Nuclear Magnetic Resonance (NMR) spectroscopy, and deduced information compared with that reported previously in Ti, Zr and Hf members of the series in the temperature range 100-500 K. From the analysis of (7)Li NMR quadrupole interactions (C(Q) and η parameters), spin-spin T(2)(-1) and spin-lattice T(1)(-1) relaxation rates, structural sites occupancy and mobility of lithium have been deduced. Below 250 K, Li ions are preferentially located at M(1) sites in rhombohedral phases, but occupy intermediate M(12) sites between M(1) and M(2) sites in triclinic ones. In high-temperature rhombohedral phases, a superionic state is achieved when residence times at M(1) and M(12) sites become similar and correlation effects on Li motion decrease. This state can be obtained by large order-disorder transformations in rhombohedral phases or by sharp first order transitions in triclinic ones. The presence of two relaxation mechanisms in T(1)(-1) plots of rhombohedral phases has been associated with departures of conductivity from the Arrhenius behavior. Long term mobility of lithium is discussed in terms of the cation vacancy distribution along conduction paths.     

Local electronic structure of layered Li(x)Ni0.5Mn0.5O2 and Li(x)Ni(1/3)Mn(1/3)Co(1/3)O2

Samples of Li(x)Ni0.5Mn0.5O2 and Li(x)Ni(1/3)Mn(1/3)Co(1/3)O2 were prepared as active materials in electrochemical half-cells and were cycled electrochemically to obtain different values of Li concentration, x. Absorption edges of Ni, Mn, Co, and O in these materials of differing x were measured by electron energy loss spectrometry (EELS) in a transmission electron microscope to determine the changes in local electronic structure caused by delithiation. The work was supported by electronic structure calculations with the VASP pseudopotential package, the full-potential linear augmented plane wave code WIEN2K, and atomic multiplet calculations that took account of the electronic effects from local octahedral symmetry. A valence change from Ni2+ to Ni4+ with delithiation would have caused a 3 eV shift in energy of the intense white line at the Ni L3 edge, but the measured shift was less than 1.2 eV. The intensities of the "white lines" at the Ni L-edges did not change enough to account for a substantial change of Ni valence. No changes were detectable at the Mn and Co L-edges after delithiation either. Both EELS and the computational efforts showed that most of the charge compensation for Li+ takes place at hybridized O 2p states, not at Ni atoms.     

Li ion diffusion in the anode material Li12Si7: ultrafast quasi-1D diffusion and two distinct fast 3D jump processes separately revealed by 7Li NMR relaxometry

The intermetallic compounds Li(x)Si(y) have attracted considerable interest because of their potential use as anode materials in Li ion batteries. In addition, the crystalline phases in the Li-Si phase diagram turn out to be outstanding model systems for the measurement of fast Li ion diffusion in solids with complex structures. In the present work, the Li self-diffusivity in crystalline Li(12)Si(7) was thoroughly probed by (7)Li NMR spin-lattice relaxation (SLR) measurements. Variable-temperature and -frequency NMR measurements performed in both the laboratory and rotating frames of reference revealed three distinct diffusion processes in Li(12)Si(7). The diffusion process characterized by the highest Li diffusivity seems to be confined to one dimension. It is one of the fastest motions of Li ions in a solid at low temperatures reported to date. The Li jump rates of this hopping process followed Arrhenius behavior; the jump rate was ~10(5) s(-1) at 150 K and reached 10(9) s(-1) at 425 K, indicating an activation energy as low as 0.18 eV.     

制备条件对尖晶石型LiMn2O4的相行为及结构的影响

将LiNO₃和Mn₃O₄按不同物质的量比[x=n(Li):n(Mn)=0.50,0.52,0.54,0.58,0.62,0.70]混合,在空气气氛下,于700℃烧结得样品.实验发现,在0.52≤x≤0.70的范围内,样品均呈现出单相的尖晶石型LiMn₂O₄结构,晶胞参数随着x的增加而减小.将x=0.50的LiNO₃和Mn₃O₄混合物在不同温度(300,400,500,600和700℃)下进行烧结处理.结果表明,于300℃合成得到的样品为尖晶石型LiMn₂O₄,随着烧结温度的升高,晶胞参数增大;当温度大于600℃时出现杂相,可以通过加入过量的Li(即x≥0.52)来加以抑制.实验结果表明,通过控制烧结温度和Li加入量可以得到理想的尖晶石型LiMn₂O₄单相材料.     

Single crystal X-ray structure study of the Li(2-x)Na(x)Ni[PO4]F system

The new compounds Li(2-x)Na(x)Ni[PO(4)]F (x = 0.7, 1, and 2) have been synthesized by a solid state reaction route. Their crystal structures were determined from single-crystal X-ray diffraction data. Li(1.3)Na(0.7)Ni[PO(4)]F crystallizes with the orthorhombic Li(2)Ni[PO(4)]F structure, space group Pnma, a = 10.7874(3), b = 6.2196(5), c = 11.1780(4) ? and Z = 8, LiNaNi[PO(4)]F crystallizes with a monoclinic pseudomerohedrally twinned structure, space group P2(1)/c, a = 6.772(4), b = 11.154(6), c = 5.021(3) ?, β = 90° and Z = 4, and Na(2)Ni[PO(4)]F crystallizes with a monoclinic twinned structure, space group P2(1)/c, a = 13.4581(8), b = 5.1991(3), c = 13.6978(16) ?, β = 120.58(1)° and Z = 8. For x = 0.7 and 1, the structures contain NiFO(3) chains made up of edge-sharing NiO(4)F(2) octahedra, whereas for x = 2 the chains are formed of dimer units (face-sharing octahedra) sharing corners. These chains are interlinked by PO(4) tetrahedra forming a 3D framework for x = 0.7 and different Ni[PO(4)]F layers for x = 1 and 2. A sodium/lithium disorder over three atomic positions is observed in Li(1.3)Na(0.7)Ni[PO(4)]F structure, whereas the alkali metal atoms are well ordered in between the layers in the LiNaNi[PO(4)]F and Na(2)Ni[PO(4)]F structures, which makes both compounds of great interest as potential positive electrodes for sodium cells.     

First total H+/Li+ ion exchange in garnet-type Li5La3Nb2O12 using organic acids and studies on the effect of Li stuffing

Garnet-type Li(5+x)Ba(x)La(3-x)Nb(2)O(12) (x = 0, 0.5, 1) was prepared using a ceramic method, and H(+)/Li(+) ion exchange was performed at room temperature using organic acids, such as CH(3)COOH and C(6)H(5)COOH, as proton sources. Thermogravimetric analysis showed that H(+)/Li(+) ion exchange was nearly (100%) completed using the x = 0 member with CH(3)COOH, while it proceeded to about 40% for x = 0.5 and 13% for x = 1. In C(6)H(5)COOH, proton exchange proceeded to about 82% for x = 0, ～40% for x = 0.5, and ～25% for x = 1. Similar proton-exchange trends were reported in H(2)O, where ion exchange occurs more readily for garnets with lower Li content in Li(5+x)Ba(x)La(3-x)Nb(2)O(12), that is, when excess Li ions preferentially reside in the tetrahedral sites of the garnet structure.     

Layered double hydroxides as potential chromate scavengers

The LDH of Ni with Fe, having the formula Ni(1-x)Fe(x)(OH)2(A(n-))(x/n)yH2O (A = NO3-, Cl-; x = 0.25, 0.33), scavenges CrO4(2-) ions from solution throughout the concentration range examined (0.00625-0.25 N). The CrO4(2-) uptake capacity is independent of the anion in the starting LDH but is higher when x = 0.25 (3.60 meq g(-1)) as compared to x = 0.33 (2.40 meq g(-1)). These values are higher than those observed for control compounds beta-Ni(OH)2 (1.86 meq g(-1)) and FeO(OH) (1.26 meq g(-1)), which do not have any interlayer chemistry, showing that chromate uptake takes place by its incorporation in the interlayer region by a stoichiometric anion-exchange reaction, rather than by adsorption. Nevertheless, the interaction between the LDH and the chromate ions is weak. The weak interaction is due to the mismatch between the symmetry of the chromate ions and the symmetry of the interlayer site, which introduces turbostratic disorder in the chromate-intercalated LDHs. The chromate ions can be completely leached out by soaking the LDH in a sodium carbonate solution.     

Lithium diffusion pathways and vacancy formation in the Pmmn-Li(1-x)FeO2 electrode material

Models for Li(+) ion mobility were developed and investigated in the 'corrugated layer' orthorhombic phase of Li(1-x)FeO(2), an attractive possible electrode material for reversible lithium ion batteries. The ground-state crystal energy was computed by first-principles DFT (Density-Functional-Theory) methods, based on the use of the hybrid B3LYP functional with localized Gaussian-type basis sets. Appropriate supercells were devised as needed, with full least-energy structure optimization. In the defect-free case (x = 0), ion diffusion was found to take place cooperatively inside a fraction of active lithium layers separated by inert ones, so as to reduce lattice strain; intermediate bottleneck states of Li are either in tetrahedral (energy barrier ΔE(a) = 0.410 eV) or linear (ΔE(a) = 0.468 eV) coordination. For the Li(0.75)FeO(2) deintercalated material a number of low energy vacancy configurations were considered, investigating also the vacancy influence on electron density of states and atomic charge distribution. The most favourable ion transport mechanisms (ΔE(a) = 0.292 and 0.304 eV) imply a linear Li bottleneck state, with all lithium layers active and a quite small lattice strain. Accordingly, in the defective material the predicted ionic conductivity at room temperature rises from 10(-5)-10(-6) (LiFeO(2)) to 4 × 10(-4) ohm(-1) cm(-1) (Li(0.75)FeO(2)).     

Pr1-xSrCo0.5Ni0.5O4+δ阴极材料的合成及电化学性质

采用固相法合成中温固体氧化物燃料电池(IT-SOFC)阴极材料Pr_(1-x)SrCo_(0.5)Ni_(0.5)O_(4+δ)(P_(1-x)SCN,x=0.00,0.05,0.10,0.15,0.20),并对材料的物相、热膨胀系数(TEC)、电导率、电极的微观形貌以及电化学性质进行表征。XRD结果表明,该材料形成单一的K_2NiF_4结构,空间群为I4/mmm,并与电解质材料Ce_(0.9)Gd_(0.1)O_(1.95)(CGO)具有良好的高温化学相容性。碘量法分析表明随着Pr离子缺位浓度增加,P_(1-x)SCN中Co/Ni离子平均化合价随着x的增加而升高,至x=0.10后逐渐降低,而氧空位含量逐渐升高。引入Pr离子缺位使材料的电导率明显提高,其中P_(0.90)SCN在700℃空气中电导率值为309 S·cm~(-1)。TEC测试结果显示,随着Pr缺位的增加,热膨胀系数逐渐增大,最大值为1.51×10~(-5)K~(-1)。交流阻抗谱(EIS)测试结果表明,Pr缺位明显降低了电极的极化阻抗值,P_(0.90)SCN阴极在700℃空气中的极化阻抗值为0.21Ω·cm~2。电解质支撑NiO-CGO/CGO/P_(0.90)SCN单电池在700℃最大输出功率密度为197.8 mW·cm~(-2)。