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At least 253 records · Page 14

Stabilizing High–Nickel Cathodes with High–Voltage Electrolytes

Electrolytes connect the two electrodes in a lithium battery by providing Li + transport channels between them. Advanced electrolytes are being explored with high-nickel cathodes and the lithium-metal anode to meet the high energy density and cycle life goals, but the origin of the performance differences with different electrolytes is not fully understood. Here, the mechanisms involved in protecting the high-capacity, cobalt-free cathode LiNiO 2 with a model high-voltage electrolyte (HVE) are delineated. The kinetic barrier posed by a thick surface degradation layer with poor Li + -ion transport is found to be the major contributor to the fast capacity fade of LiNiO 2 with the conventional carbonate electrolyte. In contrast, HVE reduces the side reactions between the electrolyte and the electrodes, leading to a thinner nano-interphase layer comprised of more beneficial species. Crucially, the HVE leads to a different surface reorganization pathway involving the formation of a thinner nanoscale LiNi 2 O 4 spinel phase on the LiNiO 2 surface. Finally, with a high 3D Li + -ion and electronic conductivity, the spinel LiNi 2 O 4 reorganization nanolayer preserves fast Li + transport across the cathode–electrolyte interface, reduces reaction heterogeneity in the electrode and alleviates intergranular cracking within secondary particles, resulting in superior long-term cycle life.

25 ENERGY STORAGE↗

Lattice Oxygen Redox Reversibility Modulation in Enhancing the Cycling Stability of Li-Rich Cathode Materials

The practical application of lithium-rich layered oxides is prohibited by the drawbacks such as severe capacity and voltage degradation resulting from unstable oxygen redox environment and the accompanied irreversible oxygen release. In this report a facile and effective strategy is proposed to regulate the oxygen redox chemistry via foreign Fe doping and its induced intrinsic transition metal (TM) doping as well as the in situ constructed spinel surface layer. The Fe doping, together with the induced intrinsic TM dual doping, can stabilize the lattice oxygen in the bulk due to the formed stronger Fe—O bond, and restrain the irreversible TM migration and then the undesirable phase transformation. More importantly, thermodynamical energy barrier of oxygen activation is dramatically decreased by the O 2p–Fe 3d charge-transfer, allowing stable oxygen redox activity. And the pre-constructed spinel layer can effectively stabilize the surface lattice oxygen and suppress harmful interfacial side-reactions. Such a simple optimizing method make the modified cathode exhibit a high specific capacity of 298 mAh g -1 at 0.2 C, outstanding cycling stability with a superior capacity and voltage retentions of 92.5% and 90.8%, respectively, after 400 cycles at 1 C. This study provides a new direction for developing advanced Li-ion batteries.

25 ENERGY STORAGE↗

Accelerating the Electrochemical Formation of the δ Phase in Manganese-Rich Rocksalt Cathodes

Mn-rich disordered rocksalt materials with Li-excess (DRX) materials have emerged as a promising class of earth-abundant and energy-dense next-generation cathode materials for lithium-ion batteries. Recently, an electrochemical transformation to a spinel-like “δ” phase has been reported in Mn-rich DRX materials, with improved capacity, rate capability, and cycling stability compared with previous DRX compositions. However, this transformation unfolds slowly over the course of cycling, complicating the development and understanding of these materials. In this work, it is reported that the transformation of Mn-rich DRX materials to the promising δ phase can be promoted to occur much more rapidly by electrochemical pulsing at elevated temperature, rate, and voltage. To extend this concept, micron-sized single-crystal DRX particles are also transformed to the δ phase by the same method, possessing greatly improved cycling stability in the first demonstration of cycling for large, single-crystal DRX particles. To shed light on the formation and specific structure of the δ phase, X-ray diffraction, scanning electron nanodiffraction (SEND) and atomic resolution STEM-HAADF are used to reveal a nanodomain spinel structure with minimal remnant disorder.

25 ENERGY STORAGE↗

Beneficial Effects of La 0.5 Sr 0.5 CoO 3 Coatings on Thin‐Film LiMn 2 O 4 Cathodes for Lithium Ion Batteries

Abstract The severe capacity loss of spinel LiMn 2 O 4 (LMO) limits the utility of this otherwise promising lithium ion battery cathode material. One of the strategies to mitigate capacity fade is applying a coating on LMO particle surfaces. While this approach yields promising results, there is limited understanding of mechanisms whereby coatings improve LMO capacity retention. Herein, the effects of a new protective coating material, La 0.5 Sr 0.5 CoO 3 (LSCO), in a thin‐film battery geometry that is amenable to fundamental studies of electrode processes, are reported. RF sputtering deposition is used to produce high quality 25–100 nm LMO cathodes on Al 2 O 3 substrates with an intervening Pt/Ti back‐side contact layer. Cycling of the un‐coated cathodes results in capacity loss of 18% over 300 cycles. Adding a 2 nm LSCO layer reduces the capacity loss to 3%. While this may be due in part to reduced Mn dissolution, scanning transmission electron microscopy results indicate that the coating helps to preserve crystallinity and reduce lattice structure distortion due to inhibited formation of defect tetragonal spinel. Three‐electrode electrochemical impedance spectroscopy results reveal that the LSCO coating increases charge transfer and ohmic resistances, but the increases are generally too small to significantly impact cell performance even at high C‐rates.

25 ENERGY STORAGE↗

An In Situ Formed Surface Coating Layer Enabling LiCoO 2 with Stable 4.6 V High‐Voltage Cycle Performances

Abstract The development of high‐voltage LiCoO 2 is essential for achieving lithium‐ion batteries with high volumetric energy density, however, it faces a great deal of challenges owing to the materials, structure and interfacial instability issues. In this work, a strategy is developed, through heat annealing a precoated surface layer to in situ form a high‐voltage‐stable surface coating layer, which is demonstrated to be highly effective to improve the high‐voltage performance of LiCoO 2 . It is discovered that LiCoO 2 reacts with Li 1.5 Al 0.5 Ti 1.5 (PO 4 ) 3 (LATP) at 700 °C to form exclusively spinel phases in addition to Li 3 PO 4 , which are structurally coherent to the layered lattice of LiCoO 2 . The heat annealing of the precoated thin layer of LATP enables the formation of a high‐quality surface layer. Spinel phases possess high‐voltage‐stable structures with much weaker oxidizing ability of lattice oxygen than layered structure. In addition, the Li 3 PO 4 is a good lithium‐ion conductor with excellent chemical stability at high voltages. All these benefits contribute to the construction of a uniform and conformal high‐voltage‐stable surface layer with favorable lithium conducting kinetics at the LiCoO 2 surface. The modified LiCoO 2 shows excellent 4.6 V high‐voltage cycle performance at both room temperature and 45 °C. The thermal stability is greatly enhanced as well.

Wang, Yi↗

Testing and Modeling of Functionally Graded Aluminum-Doped Zinc Oxide Using Spark Plasma Sintering and Discrete Powder Layers of Varying Composition

Functionally graded material (FGM) ZnO is made via spark plasma sintering/field-assisted sintering technique (SPS/FAST) by varying the Al dopant content along the z-axis or pressing direction. A wide range of Al content (0–5 wt%) is used by adding Al powder to nanosized ZnO powder. Thermoelectric (TE) measurements are done on the FGM and individual layers made separately. X-ray diffraction (XRD) shows two phases, ZnO and spinel phase (ZnAl 2 O 4 ). High-resolution Raman spectroscopy reveals doped ZnO and spinel phase (ZnAl 2 O 4 ) spatially and shows segregation in the layer with highest Al content. Electron backscatter diffraction (EBSD) reveals noticeable grain growth with decreasing Al content, and there is a common, random preferred orientation in all layers. The tested properties are used to simulate efficiency curves for a discretely graded, five-layer FGM as well as a homogenous material, where both graded structures provide an opportunity to widen the current density ranges and therefore the temperature range of useful energy conversion.

36 MATERIALS SCIENCE↗

Development of CuFeMnAlO 4+δ oxygen carrier with high attrition resistance and 50-kWth methane/air chemical looping combustion tests

A Copper-Ferri-Manganese-Aluminate spinel (CuFeMnAlO 4+δ ) oxygen carrier, developed at the US Department of Energy’s (DOE) National Energy Technology Laboratory (NETL), shows promising results for chemical looping combustion with methane. Attrition resistance of the spinel oxygen carrier (160–600 µm) produced by a wet agglomeration method was significantly higher than that observed previously with a Copper-Ferri-Aluminate (CuFeAlO 4 ) oxygen carrier. Improved attrition resistance of the novel carrier can be attributed to minimal alumina phase segregation and minimal carbon formation. Heats of reaction measured by differential scanning calorimetry indicated exothermicity during reduction with methane. The total oxygen transfer capacity of the material was about 10.5 wt% at 850 °C. The attrition resistance and the oxygen transfer capacity of the carrier prepared at a commercial manufacturing facility (180 kg) were very similar to observed values during the development phase with the lab scale preparations. The material displays satisfactory methane conversion and significantly high particle durability during a 54 h test campaign conducted in NETL’s 50-kWth chemical looping dual fluid bed reactor unit at temperatures ranging from 700 to 900 °C. Low oxygen carrier make-up cost, due to the use of natural ore and pigment grade raw materials during synthesis and very low attrition rates, exceeded the performance goals determined by systems studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots

Quantum confined uncapped and chitosan capped nanoparticles of ZnAl 2 O 4 synthesized by microwave-assisted sol–gel method were investigated by structural analysis and optical techniques. X-ray diffraction studies confirmed the formation of cubic spinels with crystallite size 4.5 nm and 3.4 nm, respectively for uncapped and chitosan capped ZnAl 2 O 4 nanoparticles. Chitosan capping produced a blue shift in bandgap energy (3.84 to 3.94 eV) agreeing with size effects according to the Brus equation. A blue shift in emission peak and enhancement in photoluminescence intensity was also observed upon chitosan capping. The electronic band structure and the density of states of the bulk spinel were also calculated using density functional theory. The effective masses of electrons and holes estimated based on the band structure were used to extract the excitonic Bohr radius.

36 MATERIALS SCIENCE↗

Mineralogical and isotopic constraints on early, high-temperature events and reservoirs recorded in the interior of a Type B Ca-Al-rich inclusion from the reduced CV3 chondrite Vigarano

A coordinated mineralogical and oxygen and Al-Mg isotopic study of a Type B Ca-Al-rich inclusion (CAI) from the reduced CV3 chondrite Vigarano was carried out using electron microprobe analysis, transmission electron microscopy, and secondary ion mass spectrometry. This CAI, a once molten igneous object, shows heterogeneous oxygen isotopic compositions among its constituent mineral phases. Spinel is uniformly 16 O-rich with Δ 17 O ≤ −23 ‰. The Δ 17 O values of Al,Ti-diopside in the CAI core range from −11 ‰ to −18 ‰, which are positively correlated with its TiO 2 contents, whereas diopside in the Wark–Lovering (WL) rim is 16 O-rich with Δ 17 O = −23 ‰. Melilite in the CAI mantle shows Δ 17 O values ≤ −10 ‰ only when Åk <15 but becomes more 16 O-poor (Δ 17 O = −3 ‰ to −9 ‰) when Åk >15 . These correlated chemical and oxygen isotopic variations were likely established during crystallization of melilite and Al,Ti-diopside from a partial melt, while spinel preserves the original 16 O-rich composition of the CAI precursor. We infer that a partial melt was isotopically evolving from 16 O-rich to 16 O-poor during melilite crystallization, then back to 16 O-rich during Al,Ti-diopside crystallization via exchange with different gas reservoirs of 16 O-poor and 16 O-rich compositions during heating event(s). Our Al-Mg isotopic measurements of the CAI core and mantle define a single isochron with an inferred initial 26 Al/ 27 Al ratio of (4.93 ± 0.18) × 10 −5 , indistinguishable from that of the WL rim. This indicates that multiple high-temperature events and oxygen isotope exchange with isotopically distinct gas reservoirs occurred rapidly during the CAI formation.

Al-Mg isotopic systematic↗

Theoretical Investigation of the Hydrogenation of Cyclohexene Catalyzed by Supported Single-Atom Sites on Redox Noninnocent LiMn 2 O 4 and Li 2 Mn 2 O 4 Surfaces

Here, the tuning of catalyst activity via stereoelectronic modulation of the active-site structure remains a grand challenge in heterogeneous catalysis. In homogeneous catalysis, the redox noninnocent ligands can be introduced to organometallic fragments to donate electrons to the metal center and fine-tune the catalytic activity. Analogously, lithium-ion battery materials, such as lithium manganese oxide (LMO), lithium titanium oxides (LTO), etc., can serve as redox noninnocent catalyst support to modulate the electronic structures of the active site via lithiation, hence tuning the catalytic activity of supported active sites. Experimentally, the Ni single-atom site was supported on LiMn 2 O 4 via oxidative grafting and exhibited no catalytic activity toward the hydrogenation of cyclohexene. After introducing additional Li into the catalyst support forming Li 2 Mn 2 O 4 , the Ni single-atom site becomes active, with the catalytic rates increasing as a function of the lithiation for Li/Mn ratios >0.9. In this paper, density functional theory (DFT) calculations are performed to study the Ni site structure via X-ray absorption near edge structure (XANES) simulations and investigate the electronic properties of Ni single-atom site before and after the addition of intercalated lithium in the LMO spinel structure. Furthermore, the study of the reaction mechanism is also carried out to understand the thermodynamically and kinetically favored pathways. XANES simulation suggests that the Ni single-atom site is likely to stay in the Li channel of the spinel support structure and form an octahedral structure. After Li intercalation, the Ni site becomes less positively charged, indicating the partial reduction of the Ni site. The simulated reaction energy profile over the LiMn 2 O 4 support exhibits high-energy barriers (1.07 eV) for the hydrogenation of cyclohexene; however, the Li 2 Mn 2 O 4 support is able to better stabilize low-coordinated ion sites and improve ion mobility, leading to lower overall energy barriers (0.64 eV). The reduced and low-coordinated ion site, thus, can better stabilize the reaction intermediates and promote hydrogenation reaction. Similarly, other transition metal ions (Fe, Co, and Cu) are also considered over the LiMn 2 O 4 and Li 2 Mn 2 O 4 catalyst supports for hydrogenation reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hidden Subsurface Reconstruction and Its Atomic Origins in Layered Oxide Cathodes

Structural transformations near surfaces of solid-state materials underpin functional mechanisms of a broad range of applications including catalysis, memory, and energy storage. It has been a long-standing notion that the outmost free surfaces, accompanied by broken translational symmetry and altered atomic configurations, are usually the birthplace for structural transformations. Here, in a layered oxide cathode for Li-ion batteries, we for the first time observe the incipient state of the well documented layered-to-spinel-like structural transformation, which is surprisingly initiated from subsurface layer, rather than the very surface. Coupling atomic level scanning transmission electron microscopy imaging with electron energy loss spectroscopy, we discover that the reconstructed subsurfaces, featuring a mix of discrete patches of layered and spinel-like structures, are associated with selective atomic species partition and consequent nanoscale non-uniform composition gradient distribution at the subsurface. In conclusion, our findings provide fundamental insights on atomic-scale mechanisms of structural transformation in layered cathodes.

25 ENERGY STORAGE↗

Transition Metal Dissolution Mechanisms and Impacts on Electronic Conductivity in Composite LiNi 0.5 Mn 1.5 O 4 Cathode Films

The high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) spinel cathode material offers high energy density storage capabilities without the use of costly Co that is prevalent in other Li-ion battery chemistries (e.g., LiNi x Mn y Co z O 2 (NMC)). Unfortunately, LNMO-containing batteries suffer from poor cycling performance because of the intrinsically coupled processes of electrolyte oxidation and transition metal dissolution that occurs at high voltage. In this work, we use operando electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectroscopies to demonstrate that transition metal dissolution in LNMO is tightly coupled to HF formation (and thus, electrolyte oxidation reactions as detected with operando and in situ solution NMR), indicative of an acid-driven disproportionation reaction that occurs during delithiation (i.e., battery charging). Leveraging the temporal resolution (s-min) of magnetic resonance, we find that the LNMO particles accelerate the rate of LiPF 6 decomposition and subsequent Mn 2+ dissolution, possibly due to the acidic nature of terminal Mn-OH groups. X-ray photoemission electron microscopy (XPEEM) provides surface-sensitive and localized X-ray absorption spectroscopy (XAS) measurements, in addition to X-ray photoelectron spectroscopy (XPS), that indicate disproportionation is enabled by surface reconstruction upon charging, which leads to surface Mn 3+ sites on the LNMO particle surface that can disproportionate into Mn 2+ (dissolved) and Mn 4+ (s) . During discharge of the battery, we observe high quantities of metal fluorides (in particular, MnF 2 ) in the cathode electrolyte interphase (CEI) on LNMO as well as the conductive carbon additives in the composite. Electronic conductivity measurements indicate that the MnF 2 decreases film conductivity by threefold compared to LiF, suggesting that this CEI component may impede both the ionic and electronic properties of the cathode. Ultimately, to prevent transition metal dissolution and the associated side reactions in spinel-type cathodes (particularly those that operate at high voltages like LNMO), the use of electrolytes that offer improved anodic stability and prevent acid byproducts will likely be necessary.

36 MATERIALS SCIENCE↗

Expanding the Ambient-Pressure Phase Space of CaFe 2 O 4 -Type Sodium Postspinel Host–Guest Compounds

CaFe 2 O 4 -type sodium postspinels (Na-CFs), with Na + occupying tunnel sites, are of interest as prospective battery electrodes. While many compounds of this structure type require high-pressure synthesis, several compounds are known to form at ambient pressure. Here we report a large expansion of the known Na-CF phase space at ambient pressure, having successfully synthesized NaCrTiO 4 , NaRhTiO 4 , NaCrSnO 4 , NaInSnO 4 , NaMg 0.5 Ti 1.5 O 4 , NaFe 0.5 Ti 1.5 O 4 , NaMg 0.5 Sn 1.5 O 4 , NaMn 0.5 Sn 1.5 O 4 , NaFe 0.5 Sn 1.5 O 4 , NaCo 0.5 Sn 1.5 O 4 , NaNi 0.5 Sn 1.5 O 4 , NaCu 0.5 Sn 1.5 O 4 , NaZn 0.5 Sn 1.5 O 4 , NaCd 0.5 Sn 1.5 O 4 , NaSc 1.5 Sb 0.5 O 4 , Na 1.16 In 1.18 Sb 0.66 O 4 , and several solid solutions. In contrast to earlier reports, even cations that are strongly Jahn–Teller active (e.g., Mn 3+ and Cu 2+ ) can form Na-CFs at ambient pressure when combined with Sn 4+ rather than with the smaller Ti 4+ . Order and disorder are probed at the average and local length-scales with synchrotron powder X-ray diffraction and solid-state NMR spectroscopy. Strong ordering of framework cations between the two framework sites is not observed, except in the case of Na 1.16 In 1.18 Sb 0.66 O 4 . This compound is the first example of an Na-CF that contains Na + in both the tunnel and framework sites, reminiscent of Li-rich spinels. Trends in the thermodynamic stability of the new compounds are explained on the basis of crystal-chemistry and density functional theory (DFT). Further DFT calculations examine the relative stability of the CF versus spinel structures at various degrees of sodium extraction in the context of electrochemical battery reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Severe Strain‐Induced Olivine‐Ringwoodite Transformation at Room Temperature: Key to Enigmas of Deep‐Focus Earthquake

Deep‐focus earthquakes at 350–660 km are presumably caused by olivine‐spinel phase transformation (PT). This cannot, however, explain the observed high seismic strain rate, which requires PT to complete within seconds, while metastable olivine does not transform for over a million years. Recent theory quantitatively describes how severe plastic deformations (SPD) can solve this dilemma but lacking experimental proof. Here, we introduce dynamic rotational diamond anvil cell with rough diamond anvils to impose SPD on San Carlos olivine. While olivine never transformed to spinel at room temperature, we obtained reversible olivine‐ringwoodite PT under SPD at 15–28 GPa within tens of seconds. The PT pressure reduces with increasing dislocation density, microstrain, plastic strain, and decreasing crystallite size. Results demonstrate a new strain‐induced PT mechanism compared to a pressure/temperature‐induced one. Combined with SPD during olivine subduction, this mechanism can accelerate olivine‐ringwoodite PT from millions of years to timescales relevant to earthquakes.

Lin, F. [Iowa State Univ., Ames, IA (United States↗

Operando X-ray absorption spectroscopic investigation of electrocatalysts state in anion exchange membrane fuel cells

Capturing the active state of (electro)catalysts under operating conditions, namely operando, is the ultimate objective of (electro)catalyst characterization, enabling the unraveling of reaction mechanisms and advancing (electro)catalyst development. Operando insights advance our understanding of the correlations between electrochemical tests and device-level performances. However, operando characterization of electrocatalysts is challenging due to the complexity of electrochemical devices and instrumental limitations. As a result, the majority of electrocatalyst characterizations have been limited to half-cell in situ studies. Here, we present an operando X-ray absorption spectroscopic study of Mn spinel oxide electrocatalysts in an operating fuel cell employing a custom-designed cell. Our results reveal that in anion exchange membrane fuel cells, the Mn valence state, within spinel Mn 3 O 4 /C, increases to above 3+, adopting an octahedral coordination devoid of Jahn-Teller distortions. This structural change results in an AEMFC performance equivalent to that of Co 1.5 Mn 1.5 O 4 /C, a composition that outperforms Mn 3 O 4 /C in rotating disk electrode tests. Our results underscore the importance of operando characterizations in elucidating the active state of electrocatalysts and understanding the correlation(s) between electrochemical tests and device performance.

Electrocatalysis↗

Unconventional polaronic ground state in superconducting LiTi 2 O 4

Geometrically frustrated lattices can display a range of correlated phenomena, ranging from spin frustration and charge order to dispersionless flat bands due to quantum interference. One particularly compelling family of such materials is the half-valence spinel LiB 2 O 4 materials. On the B-site frustrated pyrochlore sublattice, the interplay of correlated metallic behavior and charge frustration leads to a superconducting state in LiTi 2 O 4 and heavy fermion behavior in LiV 2 O 4 . To date, however, LiTi 2 O 4 has primarily been understood as a conventional BCS superconductor despite a lattice structure that could host more exotic ground states. Here, we present a multimodal investigation of LiTi 2 O 4 , combining ARPES, RIXS, proximate magnetic probes, and ab-initio many-body theoretical calculations. Our data reveals a novel mobile polaronic ground state with spectroscopic signatures that underlie co-dominant electron-phonon coupling and electron-electron correlations also found in the lightly doped cuprates. The cooperation between the two interaction scales distinguishes LiTi 2 O 4 from other superconducting titanates, suggesting an unconventional origin to superconductivity in LiTi 2 O 4 . Our work deepens our understanding of the rare interplay of electron-electron correlations and electron-phonon coupling in unconventional superconducting systems. In particular, our work identifies the geometrically frustrated, mixed-valence spinel family as an under-explored platform for discovering unconventional, correlated ground states.

36 MATERIALS SCIENCE↗

Magnetic and structural properties of the solid solution CuAl 2(1–x) Ga 2x O 4

CuAl 2 O 4 is a ternary oxide spinel with Cu 2+ ions (s = 1/2) primarily populating the A-site diamond sublattice. The compound is reported to display evidence of spin glass behavior but possess a non-frozen magnetic ground state below the transition temperature. On the other hand, the spinel CuGa 2 O 4 displays spin glass behavior at ~ 2.5 K with Cu 2+ ions more readily tending to the B-site pyrochlore sublattice. Therefore, we investigate the magnetic and structural properties of the solid solution CuAl 2(1-x) Ga 2x O 4 examining the evolution of the magnetic behavior as Al 3+ is replaced with a much larger Ga 3+ ion. Our results show that the Cu 2+ ions tend to migrate from tetrahedral to octahedral sites as the Ga 3+ ion concentration increases, resulting in a concomitant change in the glassy magnetic properties of the solution. Results indicate glassy behavior for much of the solution with a general trend towards decreasing magnetic frustration as the Cu 2+ ion shifts to the B-site. However, the x = 0.1 and 0.2 members of the system do not show glassy behavior down to our measurement limit (1.9 K) suggesting a delayed spin glass transition. We suggest that these two members are additional candidates for investigation to access highly frustrated exotic quantum states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A new halospinel superionic conductor for high-voltage all solid state lithium batteries

We report a new Li-superionic chloride, Li 2 Sc 2/3 Cl 4 , that crystallizes in a disordered spinel structure, and exhibits an ionic conductivity of 1.5 mS cm –1 with a low activation energy barrier for Li + ion diffusion of 0.34 eV. Here, this material is the first spinel-type superionic halide. Structural elucidation via powder neutron diffraction reveals a significantly disordered Li + -ion distribution over available tetrahedral and octahedral sites within the lattice, forming an infinitely 3D connected Li + ion diffusion pathway comprised of face-sharing octahedra and tetrahedra. Due to the high oxidative stability of Li 2 Sc 2/3 Cl 4 , all solid state lithium batteries employing Li 2 Sc 2/3 Cl 4 and high voltage cathodes (LiCoO 2 , LiNi 0.6 Mn 0.2 Co 0.2 O 2 or high-Ni LiNi 0.85 Mn 0.1 Co 0.05 O 2 ) – without any coating – exhibit excellent electrochemical performance up to 4.6 V in terms of capacity retention and cycle life.

25 ENERGY STORAGE↗