Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Strain Dependence of Metal Anode Surface Properties.

ABSTRACT: Dendrite growth poses a significant problem in the design of modern batteries as it can lead to capacity loss and short-circuiting. Recently, it has been proposed that self-diffusion barriers might be used as a descriptor for the occurrence of dendrite growth in batteries. As surface strain effects can modify dendritic growth, we present first-principles DFT calculations of the dependence of metal self-diffusion barriers on applied surface strain for a number of metals that are used as charge carriers in batteries. Overall, we find a rather small strain dependence of the barriers. We mainly attribute this to cancellation effects in the strain dependence of the initial and the transition states in diffusion.

SUBMITTER: Stottmeister D

PROVIDER: S-EPMC7318162 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Strain Dependence of Metal Anode Surface Properties.

Stottmeister Daniel D Groß Axel A

ChemSusChem 20200527 12

Dendrite growth poses a significant problem in the design of modern batteries as it can lead to capacity loss and short-circuiting. Recently, it has been proposed that self-diffusion barriers might be used as a descriptor for the occurrence of dendrite growth in batteries. As surface strain effects can modify dendritic growth, we present first-principles DFT calculations of the dependence of metal self-diffusion barriers on applied surface strain for a number of metals that are used as charge ca ...[more]

PMID: 32259347

Similar Datasets

Reversible Magnesium Metal Anode Enabled by Cooperative Solvation/Surface Engineering in Carbonate Electrolytes.

Project description:Magnesium metal anode holds great potentials toward future high energy and safe rechargeable magnesium battery technology due to its divalent redox and dendrite-free nature. Electrolytes based on Lewis acid chemistry enable the reversible Mg plating/stripping, while they fail to match most cathode materials toward high-voltage magnesium batteries. Herein, reversible Mg plating/stripping is achieved in conventional carbonate electrolytes enabled by the cooperative solvation/surface engineering. Strongly electronegative Cl from the MgCl2 additive of electrolyte impairs the Mg…O = C interaction to reduce the Mg2+ desolvation barrier for accelerated redox kinetics, while the Mg2+-conducting polymer coating on the Mg surface ensures the facile Mg2+ migration and the effective isolation of electrolytes. As a result, reversible plating and stripping of Mg is demonstrated with a low overpotential of 0.7 V up to 2000 cycles. Moreover, benefitting from the wide electrochemical window of carbonate electrolytes, high-voltage (> 2.0 V) rechargeable magnesium batteries are achieved through assembling the electrode couple of Mg metal anode and Prussian blue-based cathodes. The present work provides a cooperative engineering strategy to promote the application of magnesium anode in carbonate electrolytes toward high energy rechargeable batteries.

| S-EPMC8440703 | biostudies-literature

Microscopic Properties of Na and Li-A First Principle Study of Metal Battery Anode Materials.

Project description:Using density functional theory, we studied the bulk and surface properties of Li and Na electrodes on an atomistic level. To get a better understanding of the initial stages of surface growth phenomena (and thus dendrite formation), various self-diffusion mechanisms were studied. For this purpose, dedicated diffusion pathways on the surfaces of Na and Li were investigated within the terrace-step-kink (TSK) model utilizing nudged elastic band calculations. We were able to prove that the mere investigation of terrace self-diffusion on the respective low-index surfaces does not provide a possible descriptor for dendritic growth. Finally, we provide an initial view of the surface growth behavior of both alkali metals as well as provide a basis for experimental investigations and theoretical long-scale kinetic Monte Carlo simulations.

| S-EPMC7065241 | biostudies-literature

A highly reversible lithium metal anode.

Project description:Lithium metal has shown a lot of promise for use as an anode material in rechargeable batteries owing to its high theoretical capacity. However, it does not meet the cycle life and safety requirements of rechargeable batteries owing to electrolyte decomposition and dendrite formation on the surfaces of the lithium anodes during electrochemical cycling. Here, we propose a novel electrolyte system that is relatively stable against lithium metal and mitigates dendritic growth. Systematic design methods that combined simulations, model-based experiments, and in situ analyses were employed to design the system. The reduction potential of the solvent, the size of the salt anions, and the viscosity of the electrolyte were found to be critical parameters determining the rate of dendritic growth. A lithium metal anode in contact with the designed electrolyte exhibited remarkable cyclability (more than 100 cycles) at a high areal capacity of 12 mAh cm(-2).

| S-EPMC5379181 | biostudies-literature

An ultrastable lithium metal anode enabled by designed metal fluoride spansules.

Project description:The lithium metal anode (LMA) is considered as a promising star for next-generation high-energy density batteries but is still hampered by the severe growth of uncontrollable lithium dendrites. Here, we design "spansules" made of NaMg(Mn)F3@C core@shell microstructures as the matrix for the LMA, which can offer a long-lasting release of functional ions into the electrolyte. By the assistance of cryogenic transmission electron microscopy, we reveal that an in situ-formed metal layer and a unique LiF-involved bilayer structure on the Li/electrolyte interface would be beneficial for effectively suppressing the growth of lithium dendrites. As a result, the spansule-modified anode affords a high Coulombic efficiency of 98% for over 1000 cycles at a current density of 2 mA cm-2, which is the most stable LMA reported so far. When coupling this anode with the Li[Ni0.8Co0.1Mn0.1]O2 cathode, the practical full cell further exhibits highly improved capacity retention after 500 cycles.

| S-EPMC7060059 | biostudies-literature

Functional metal-organic framework boosting lithium metal anode performance via chemical interactions.

Project description:Dendrite growth and low coulombic efficiency are two major factors that limit the utilization of Li metal electrodes in future generations of high-energy-density rechargeable batteries. This article reports the first study on metal-organic framework (MOF) materials for boosting the electrochemical performance of Li metal electrodes and demonstrates the power of molecular-structure functionalization for realizing desirable ion transport and Li metal nucleation and growth. We show that dendrite-free dense Li deposition and stable Li plating/stripping cycling with high coulombic efficiency are enabled by modifying a commercial polypropylene separator with a titanium-based MOF (NH2-MIL-125(Ti)) material. The NH2-MIL-125(Ti)-coated-separator renders Li|Cu cells that can run for over 200 cycles at 1 mA cm-2-1 mA h cm-2 with average coulombic efficiency of 98.5% and Li|Li symmetric cells that can be cycled at 1 mA cm-2-1 mA h cm-2 for more than 1200 h without short circuiting. The superior cycling stability is attributed to the amine substituents in the NH2-MIL-125(Ti) structure which induce increased Li+ transference numbers and uniform and dense early-stage Li deposition.

| S-EPMC5468994 | biostudies-literature

A Highly Reversible Room-Temperature Sodium Metal Anode.

Project description:Owing to its low cost and high natural abundance, sodium metal is among the most promising anode materials for energy storage technologies beyond lithium ion batteries. However, room-temperature sodium metal anodes suffer from poor reversibility during long-term plating and stripping, mainly due to formation of nonuniform solid electrolyte interphase as well as dendritic growth of sodium metal. Herein we report for the first time that a simple liquid electrolyte, sodium hexafluorophosphate in glymes (mono-, di-, and tetraglyme), can enable highly reversible and nondendritic plating-stripping of sodium metal anodes at room temperature. High average Coulombic efficiencies of 99.9% were achieved over 300 plating-stripping cycles at 0.5 mA cm(-2). The long-term reversibility was found to arise from the formation of a uniform, inorganic solid electrolyte interphase made of sodium oxide and sodium fluoride, which is highly impermeable to electrolyte solvent and conducive to nondendritic growth. As a proof of concept, we also demonstrate a room-temperature sodium-sulfur battery using this class of electrolytes, paving the way for the development of next-generation, sodium-based energy storage technologies.

| S-EPMC4827673 | biostudies-literature

Surface soil metal elements variability affected by environmental and soil properties.

Project description:Identifying the factors controlling the spatial variability of soil metal elements could be a challenge task due to the interaction of environmental attributes and human activities. This study aimed to investigate the critical explanatory variables controlling total Ca, Cd, Cr, Cu, Zn, Fe, Mn, Mg, Pb, and Zn variations in the arable topsoil using classical statistics, principal component analysis, and random forest techniques. The work was conducted in the core region of the Three Gorges Reservoir of China. The explanatory variables included soil, topography, climate, vegetation, land use type, and distance-related parameters. Average concentrations of the metal elements were in order of Fe > Mg > Ca > Mn > Zn > Cr > Ni > Pb > Cu > Cd. Soil Cr, Fe, and Pb showed low variability while others presented medium variability. Average concentrations of Cr, Fe, Cd, and Mg exceeded their corresponding background values. There were highly positive correlations between all metal elements except Pb, Cd and Cr. The principal component analysis further demonstrated that the sources of Pb, Cd, and Cr differed with other elements. The results of random forest suggested that soil properties followed by topography were critical parameters affecting the variations of Ca, Mg, Mn, Fe, Ni, Zn, and Cu. Agricultural activities and soil properties were major factors controlling the variations of Pb, Cr, and Cd. Further study should be conducted to understand the relations between the metal elements and soil properties.

| S-EPMC8297850 | biostudies-literature

Influence of manufacturing processes on cell surface properties of probiotic strain Lactobacillus rhamnosus Lcr35®

Project description:Investigation of whole genome gene expression level changes in Lcr35® pharmaceutical formulations, compared to the native strain.

2017-06-22 | GSE58820 | GEO

Nanostructured and oriented metal-organic framework films enabling extreme surface wetting properties.

Project description:We report on the synthesis of highly oriented and nanostructured metal-organic framework (MOF) films featuring extreme surface wetting properties. The Ni- and Co- derivatives of the metal-catecholate series (M-CAT-1) were synthesized as highly crystalline bulk materials and thin films. Oriented pillar-like nanostructured M-CAT-1 films exhibiting pronounced needle-like morphology on gold substrates were established by incorporating a crystallization promoter into the film synthesis. These nanostructured M-CAT-1 MOF films feature extreme wetting phenomena, specifically superhydrophilic and underwater superoleophobic properties with water and underwater oil-contact angles of 0° and up to 174°, respectively. The self-cleaning capability of the nanostructured, needle-like M-CAT-1 films was illustrated by measuring time-dependent oil droplet rolling-off a tilted surface. The deposition of the nanostructured Ni-CAT-1 film on a large glass substrate allowed for the realization of an efficient, transparent, antifog coating, enabling a clear view even at extreme temperature gaps up to ?120 °C. This work illustrates the strong link between MOF film morphology and surface properties based on these framework materials.

| S-EPMC6808203 | biostudies-literature

High rate and stable cycling of lithium metal anode.

Project description:Lithium metal is an ideal battery anode. However, dendrite growth and limited Coulombic efficiency during cycling have prevented its practical application in rechargeable batteries. Herein, we report that the use of highly concentrated electrolytes composed of ether solvents and the lithium bis(fluorosulfonyl)imide salt enables the high-rate cycling of a lithium metal anode at high Coulombic efficiency (up to 99.1%) without dendrite growth. With 4?M lithium bis(fluorosulfonyl)imide in 1,2-dimethoxyethane as the electrolyte, a lithium|lithium cell can be cycled at 10?mA?cm(-2) for more than 6,000 cycles, and a copper|lithium cell can be cycled at 4?mA?cm(-2) for more than 1,000 cycles with an average Coulombic efficiency of 98.4%. These excellent performances can be attributed to the increased solvent coordination and increased availability of lithium ion concentration in the electrolyte. Further development of this electrolyte may enable practical applications for lithium metal anode in rechargeable batteries.

| S-EPMC4346622 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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