Lithium Diffusion in Graphitic Carbon

  title={Lithium Diffusion in Graphitic Carbon},
  author={Kristin Aslaug Persson and Vijay A Sethuraman and Laurence J. Hardwick and Yoyo Hinuma and Ying Shirley Meng and A. Van der Ven and Venkat N. Srinivasan and Robert Kostecki and Gerbrand Ceder},
  journal={Journal of Physical Chemistry Letters},
Graphiticcarboniscurrentlyconsideredthestate-of-the-artmaterial for the negative electrode in lithium ion cells, mainly due to its high reversibility and low operating potential. However, carbon anodes exhibit mediocre charge/ discharge rate performance, which contributes to severe transport-induced sur- face structural damage upon prolonged cycling and limits the lifetime of the cell. Lithium bulkdiffusion in graphitic carbon is not yet completely understood, partly due to the complexity of… 

Figures from this paper

Irreversibility at macromolecular scales in the flake graphite of the lithium-ion battery anode.
Videoed single microcrystals of high-quality, natural graphite undergoing multiple lithiation-delithiation cycles illustrate how lithium enters nearly defect-free host material, and highlight the differences between the idealized case and an actual, cycling graphite anode.
Semimetallic Si3C as a high capacity anode material for advanced lithium ion batteries
Abstract In combination of the merits of Si- and C-based anode materials for lithium-ion batteries (LIBs), we propose and evaluate the potential of novel Si3C as an anode material, which consists of
Revealing Rate Limitations in Nanocrystalline Li4Ti5O12 Anodes for High-Power Lithium Ion Batteries
Li4Ti5O12 is a promising anode material for lithium ion batteries due to its high safety, excellent cycling stability, environmental friendliness, and low cost. Strategies of incorporation with a
Shrinking annuli mechanism and stage-dependent rate capability of thin-layer graphite electrodes for lithium-ion batteries
The kinetic performance of graphite particles is difficult to deconvolute from half-cell experiments, where the influences of the working electrode porosity and the counter electrode contribute
High Mobility and High Storage Capacity of Lithium in sp–sp2 Hybridized Carbon Network: The Case of Graphyne
We have carried out first-principles calculations to explore the energetics and dynamics of Li in graphyne, a novel carbon allotrope consisting of sp–sp2 hybridized carbon atoms, relevant for anode
Exfoliated multi-layered graphene anode with the broadened delithiation voltage plateau below 0.5 V
Abstract The commercial graphite (CG) is the conventional anode material for lithium ion batteries (LIBs) due to its low delithiation voltage plateau (below 0.5 V) and extraordinary durability.
Probing the pseudo-1-D ion diffusion in lithium titanium niobate anode for Li-ion battery.
Calculations based on density functional theory (DFT) strongly confirm the anisotropic Li(+)-ion diffusion in the interlayer galleries and that Li (+)-ions predominantly diffuse along the crystallographic b-direction.
Lithium intercalation into single-walled carbon nanotubes network electrode: Storage mechanisms and impurity effects
Abstract This is a detailed study of how impurities can affect the mechanisms of lithium storage in composite electrodes consisting of a three-dimensional single-walled carbon nanotube (SWCNT)
Insights into the Li Diffusion Mechanism in Si/C Composite Anodes for Lithium-Ion Batteries.
The atomic behavior of Li diffusion in the Si/C composite material is studied within the framework of density functional theory and it is discovered that the carbon material increasesLi diffusion in silicon from 7.75 × 10-5 to 2.097 × 10/s, which will guide the corresponding structure designs for robust and high-energy-density batteries.
The role of re-aggregation on the performance of electrochemically exfoliated many-layer graphene for Li-ion batteries
Abstract Two potential pathways for Li+ diffusion occur within graphitic carbon with typically in-plane diffusion dominating (∼10−7 cm2 s−1) over diffusion along the crystallite grain boundaries


Electrochemical analysis of lithiated graphite anodes
Theoretical calculations are compared with well-controlled experiments conducted on a porous, graphite-based, lithiated-carbon electrode. The interpretation of the electrode behavior is facilitated
Structural and Kinetic Characterization of Lithium Intercalation into Carbon Anodes for Secondary Lithium Batteries
Electrochemical intercalation of lithium into carbons has been studied using mesophase-pitch-based carbon fibers with different heat-treatment temperatures, coke, and graphites as anodes for
Capacity fading of lithiated graphite electrodes studied by a combination of electroanalytical methods, Raman spectroscopy and SEM
We present herein Raman spectroscopy and SEM characterizations of composite graphite electrodes in conjunction with classical electroanalytical characterizations (SSCV and EIS) during prolonged
Behaviour of highly crystalline graphitic materials in lithium-ion cells with propylene carbonate containing electrolytes: An in situ Raman and SEM study
Abstract The microcrystalline flaked graphites SFG6 and SFG44 were evaluated with regard to their compatibility with propylene carbonate (PC) by in situ Raman microscopy and postmortem scanning
Surface structural disordering in graphite upon lithium intercalation/deintercalation
We report on the origin of the surface structural disordering in graphite anodes induced by lithium intercalation and deintercalation processes. Average Raman spectra of graphitic anodes reveal that
Formation of Lithium‐Graphite Intercalation Compounds in Nonaqueous Electrolytes and Their Application as a Negative Electrode for a Lithium Ion (Shuttlecock) Cell
Electrochemical reduction of natural graphite was carried out in 1M LiClO[sub 4] ethylene carbonate (EC)/1,2-dimethoxyethane (DME) solution at 30 C. Natural graphite was reduced stepwise to LiC[sub
Microprobe study of the effect of Li intercalation on the structure of graphite
The structural stability of graphite electrodes in Li-ion cells, which were cycled at room temperature and 60 °C was investigated. We observed gradual structural degradation of the graphite, which
Intercalation of lithium into graphite and other carbons
Abstract Lamellar graphite-lithium compounds of the first, second, third and fourth stages which are respectively brass-yellow, steel-blue, dark-blue and black had been prepared by the two following
Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations
Lithium diffusion in a stage-1 structure of LiC6 has been theoretically investigated from first principles on the basis of transition state theory. The calculated chemical diffusion coefficient of
Electrochemical characterization of thermally oxidized natural graphite anodes in lithium-ion batteries
Natural graphite, which is used as an anode material in lithium-ion batteries, is thermally treated to improve its cycleability and reduce irreversible reactions with the electrolyte. Natural