Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Fluorinated Boron-Based Anions for Higher Voltage Li Metal Battery Electrolytes.

ABSTRACT: Lithium metal batteries (LMBs) require an electrolyte with high ionic conductivity as well as high thermal and electrochemical stability that can maintain a stable solid electrolyte interphase (SEI) layer on the lithium metal anode surface. The borate anions tetrakis(trifluoromethyl)borate ([B(CF₃)₄]^-), pentafluoroethyltrifluoroborate ([(C₂F₅)BF₃]^-), and pentafluoroethyldifluorocyanoborate ([(C₂F₅)BF₂(CN)]^-) have shown excellent physicochemical properties and electrochemical stability windows; however, the suitability of these anions as high-voltage LMB electrolytes components that can stabilise the Li anode is yet to be determined. In this work, density functional theory calculations show high reductive stability limits and low anion-cation interaction strengths for Li[B(CF₃)₄], Li[(C₂F₅)BF₃], and Li[(C₂F₅)BF₂(CN)] that surpass popular sulfonamide salts. Specifically, Li[B(CF₃)₄] has a calculated oxidative stability limit of 7.12 V vs. Li⁺/Li⁰ which is significantly higher than the other borate and sulfonamide salts (≤6.41 V vs. Li⁺/Li⁰). Using ab initio molecular dynamics simulations, this study is the first to show that these borate anions can form an advantageous LiF-rich SEI layer on the Li anode at room (298 K) and elevated (358 K) temperatures. The interaction of the borate anions, particularly [B(CF₃)₄]^-, with the Li⁺ and Li anode, suggests they are suitable inclusions in high-voltage LMB electrolytes that can stabilise the Li anode surface and provide enhanced ionic conductivity.

SUBMITTER: Clarke-Hannaford J

PROVIDER: S-EPMC8466916 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Fluorinated solid electrolyte interphase enables highly reversible solid-state Li metal battery.

Project description:Solid-state electrolytes (SSEs) are receiving great interest because their high mechanical strength and transference number could potentially suppress Li dendrites and their high electrochemical stability allows the use of high-voltage cathodes, which enhances the energy density and safety of batteries. However, the much lower critical current density and easier Li dendrite propagation in SSEs than in nonaqueous liquid electrolytes hindered their possible applications. Herein, we successfully suppressed Li dendrite growth in SSEs by in situ forming an LiF-rich solid electrolyte interphase (SEI) between the SSEs and the Li metal. The LiF-rich SEI successfully suppresses the penetration of Li dendrites into SSEs, while the low electronic conductivity and the intrinsic electrochemical stability of LiF block side reactions between the SSEs and Li. The LiF-rich SEI enhances the room temperature critical current density of Li3PS4 to a record-high value of >2 mA cm-2. Moreover, the Li plating/stripping Coulombic efficiency was escalated from 88% of pristine Li3PS4 to more than 98% for LiF-coated Li3PS4. In situ formation of electronic insulating LiF-rich SEI provides an effective way to prevent Li dendrites in the SSEs, constituting a substantial leap toward the practical applications of next-generation high-energy solid-state Li metal batteries.

| S-EPMC6303121 | biostudies-other

Comparative Analysis of Fluorinated Anions for Polypyrrole Linear Actuator Electrolytes.

Project description:Either as salts or room temperature ionic liquids, fluorinated anion-based electrolytes have been a common choice for ionic electroactive polymer actuators, both linear and bending. In the present work, propylene carbonate solutions of four electrolytes of the three hugely popular anions-triflouromethanesulfonate, bis(trifluoromethane)sulfonimide, and hexafluorophosphate were compared and evaluated in polypyrrole linear actuators. The actuation direction, the characteristics-performance relations influence the behavior of the actuators. Isotonic Electro-chemo-mechanical deformation (ECMD) measurements were performed to study the response of the PPy/DBS samples. The highest strain for pristine PPy/DBS linear actuators was found in range of 21% for LiTFSI, while TBAPF6 had the least cation involvement, suggesting the potential for application in durable and controllable actuators. Interesting cation effects on the actuation of the same anions (CF3SO3-) were also observed.

| S-EPMC6571709 | biostudies-literature

Boron clusters as highly stable magnesium-battery electrolytes.

Project description:Boron clusters are proposed as a new concept for the design of magnesium-battery electrolytes that are magnesium-battery-compatible, highly stable, and noncorrosive. A novel carborane-based electrolyte incorporating an unprecedented magnesium-centered complex anion is reported and shown to perform well as a magnesium-battery electrolyte. This finding opens a new approach towards the design of electrolytes whose likelihood of meeting the challenging design targets for magnesium-battery electrolytes is very high.

| S-EPMC4298798 | biostudies-literature

A Rechargeable Li-Air Fuel Cell Battery Based on Garnet Solid Electrolytes.

Project description:Non-aqueous Li-air batteries have been intensively studied in the past few years for their theoretically super-high energy density. However, they cannot operate properly in real air because they contain highly unstable and volatile electrolytes. Here, we report the fabrication of solid-state Li-air batteries using garnet (i.e., Li6.4La3Zr1.4Ta0.6O12, LLZTO) ceramic disks with high density and ionic conductivity as the electrolytes and composite cathodes consisting of garnet powder, Li salts (LiTFSI) and active carbon. These batteries run in real air based on the formation and decomposition at least partially of Li2CO3. Batteries with LiTFSI mixed with polyimide (PI:LiTFSI) as a binder show rechargeability at 200 °C with a specific capacity of 2184 mAh g-1carbon at 20 μA cm-2. Replacement of PI:LiTFSI with LiTFSI dissolved in polypropylene carbonate (PPC:LiTFSI) reduces interfacial resistance, and the resulting batteries show a greatly increased discharge capacity of approximately 20300 mAh g-1carbon and cycle 50 times while maintaining a cutoff capacity of 1000 mAh g-1carbon at 20 μA cm-2 and 80 °C. These results demonstrate that the use of LLZTO ceramic electrolytes enables operation of the Li-air battery in real air at medium temperatures, leading to a novel type of Li-air fuel cell battery for energy storage.

| S-EPMC5259739 | biostudies-literature

A Micelle Electrolyte Enabled by Fluorinated Ether Additives for Polysulfide Suppression and Li Metal Stabilization in Li-S Battery.

Project description:The Li-S battery is a promising next-generation technology due to its high theoretical energy density (2600 Wh kg-1) and low active material cost. However, poor cycling stability and coulombic efficiency caused by polysulfide dissolution have proven to be major obstacles for a practical Li-S battery implementation. In this work, we develop a novel strategy to suppress polysulfide dissolution using hydrofluoroethers (HFEs) with bi-functional, amphiphlic surfactant-like design: a polar lithiophilic "head" attached to a fluorinated lithiophobic "tail." A unique solvation mechanism is proposed for these solvents whereby dissociated lithium ions are readily coordinated with lithiophilic "head" to induce self-assembly into micelle-like complex structures. Complex formation is verified experimentally by changing the additive structure and concentration using small angle X-ray scattering (SAXS). These HFE-based electrolytes are found to prevent polysulfide dissolution and to have excellent chemical compatibility with lithium metal: Li||Cu stripping/plating tests reveal high coulombic efficiency (>99.5%), modest polarization, and smooth surface morphology of the uniformly deposited lithium. Li-S cells are demonstrated with 1395 mAh g-1 initial capacity and 71.9% retention over 100 cycles at >99.5% efficiency-evidence that the micelle structure of the amphiphilic additives in HFEs can prohibit polysulfide dissolution while enabling facile Li+ transport and anode passivation.

| S-EPMC7317089 | biostudies-literature

Superconcentrated electrolytes for a high-voltage lithium-ion battery.

Project description:Finding a viable electrolyte for next-generation 5?V-class lithium-ion batteries is of primary importance. A long-standing obstacle has been metal-ion dissolution at high voltages. The LiPF6 salt in conventional electrolytes is chemically unstable, which accelerates transition metal dissolution of the electrode material, yet beneficially suppresses oxidative dissolution of the aluminium current collector; replacing LiPF6 with more stable lithium salts may diminish transition metal dissolution but unfortunately encounters severe aluminium oxidation. Here we report an electrolyte design that can solve this dilemma. By mixing a stable lithium salt LiN(SO2F)2 with dimethyl carbonate solvent at extremely high concentrations, we obtain an unusual liquid showing a three-dimensional network of anions and solvent molecules that coordinate strongly to Li(+) ions. This simple formulation of superconcentrated LiN(SO2F)2/dimethyl carbonate electrolyte inhibits the dissolution of both aluminium and transition metal at around 5?V, and realizes a high-voltage LiNi0.5Mn1.5O4/graphite battery that exhibits excellent cycling durability, high rate capability and enhanced safety.

| S-EPMC4931331 | biostudies-literature

High performance C/S composite cathodes with conventional carbonate-based electrolytes in Li-S battery.

Project description:High stable C/S composites are fabricated by a novel high-temperature sulfur infusion into micro-mesoporous carbon method following with solvent cleaning treatment. The C/S composite cathodes show high Coulombic efficiency, long cycling stability and good rate capability in the electrolyte of 1.0 M LiPF6 + EC/DEC (1:1 v/v), for instance, the reversible capacity of the treated C/S-50 (50% S) cathode retains around 860 mAh/g even after 500 cycles and the Coulombic efficiency is close to 100%, which demonstrates the best electrochemical performance of carbon-sulfur composite cathodes using the carbonate-based electrolyte reported to date. It is believed that the chemical bond of C-S is responsible for the superior electrochemical properties in Li-S battery, that is, the strong interaction between S and carbon matrix significantly improves the conductivity of S, effectively buffers the structural strain/stress caused by the large volume change during lithiation/delithiation, completely eliminates the formation of high-order polysulfide intermediates, and substantially avoids the shuttle reaction and the side reaction between polysulfide anions and carbonate solvent, and thus enables the C/S cathode to use conventional carbonate-based electrolytes and achieve outstanding electrochemical properties in Li-S battery. The results may substantially contribute to the progress of the Li-S battery technology.

| S-EPMC4003480 | biostudies-literature

Hierarchical nanoporosity enhanced reversible capacity of bicontinuous nanoporous metal based Li-O2 battery.

Project description:High-energy-density rechargeable Li-O2 batteries are one of few candidates that can meet the demands of electric drive vehicles and other high-energy applications because of the ultra-high theoretical specific energy. However, the practical realization of the high rechargeable capacity is usually limited by the conflicted requirements for porous cathodes in high porosity to store the solid reaction products Li2O2 and large accessible surface area for easy formation and decomposition of Li2O2. Here we designed a hierarchical and bicontinuous nanoporous structure by introducing secondary nanopores into the ligaments of coarsened nanoporous gold by two-step dealloying. The hierarchical and bicontinuous nanoporous gold cathode provides high porosity, large accessible surface area and sufficient mass transport path for high capacity and long cycling lifetime of Li-O2 batteries.

| S-EPMC5027567 | biostudies-literature

Electrochemical performance and interfacial properties of Li-metal in lithium bis(fluorosulfonyl)imide based electrolytes.

Project description:Successful usage of lithium metal as the negative electrode or anode in rechargeable batteries can be an important step to increase the energy density of lithium batteries. Performance of lithium metal in a relatively promising electrolyte solution composed of lithium bis(fluorosulfonyl)imide (LiN(SO2F)2; LiFSI) salt dissolved in 1,2-dimethoxyethane (DME) is here studied. The influence of the concentration of the electrolyte salt -1 M or 4?M LiFSI- is investigated by varying important electrochemical parameters such as applied current density and plating capacity. X-ray photoelectron spectroscopy analysis as a surface sensitive technique is here used to analyze that how the composition of the solid electrolyte interphase varies with the salt concentration and with the number of cycles.

| S-EPMC5698312 | biostudies-literature

Engineering Solution-Processed Non-Crystalline Solid Electrolytes for Li Metal Batteries.

Project description:Non-crystalline Li-ion solid electrolytes (SEs), such as lithium phosphorus oxynitride, can uniquely enable high-rate solid-state battery operation over thousands of cycles in thin film form. However, they are typically produced by expensive and low throughput vacuum deposition, limiting their wide application and study. Here, we report non-crystalline SEs of composition Li-Al-P-O (LAPO) with ionic conductivities > 10-7 S cm-1 at room temperature made by spin coating from aqueous solutions and subsequent annealing in air. Homogenous, dense, flat layers can be synthesized with submicrometer thickness at temperatures as low as 230 °C. Control of the composition is shown to significantly affect the ionic conductivity, with increased Li and decreased P content being optimal, while higher annealing temperatures result in decreased ionic conductivity. Activation energy analysis reveals a Li-ion hopping barrier of ≈0.4 eV. Additionally, these SEs exhibit low room temperature electronic conductivity (< 10-11 S cm-1) and a moderate Young's modulus of ≈54 GPa, which may be beneficial in preventing Li dendrite formation. In contact with Li metal, LAPO is found to form a stable but high impedance passivation layer comprised of Al metal, Li-P, and Li-O species. These findings should be of value when engineering non-crystalline SEs for Li-metal batteries with high energy and power densities.

| S-EPMC9933431 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data