Sharp-interface formation during lithium intercalation into silicon

Lithium Intercalation Behavior in Multilayer Silicon Electrodes

Dr. T. T. Fister, Dr. B. R. Long, Dr. P. Fenter Chemical Sciences and Engineering Division Argonne National Laboratory Argonne , IL , 60439 , USA E-mail: fi [email protected] J. Esbenshade, Dr. B. R. Long, Prof. A. A. Gewirth Department of Chemistry University of Illinois Urbana-Champaign, Urbana , IL , 61801,USA X. Chen Graduate Program in Applied Physics Northwestern University Evanston , IL , USA...

Localized concentration reversal of lithium during intercalation into nanoparticles

Nanoparticulate electrodes, such as Li x FePO4, have unique advantages over their microparticulate counterparts for the applications in Li-ion batteries because of the shortened diffusion path and access to nonequilibrium routes for fast Li incorporation, thus radically boosting power density of the electrodes. However, how Li intercalation occurs locally in a single nanoparticle of such materi...

Thermodynamics of Lithium Intercalation into Graphites and Disordered Carbons

The temperature dependence of the open-circuit potential of lithium half-cells was measured for electrodes of carbon materials having different amounts of structural disorder. The entropy of lithium intercalation, DS , and enthalpy of intercalation, DH , were determined over a broad range of lithium concentrations. For the disordered carbons, DS is small. For graphite, an initially large DS dec...

GGA+U description of lithium intercalation into anatase TiO2

We have used density-functional theory generalized gradient approximation GGA to study lithium intercalation at low concentration into anatase TiO2. To describe the defect states produced by Li doping a Hubbard “+U” correction is applied to the Ti d states GGA+U . Uncorrected GGA calculations predict LixTiO2 to be metallic with the excess charge distributed over all Ti sites, whereas GGA+U pred...

The Role of Carbonate Solvents on Lithium Intercalation into Graphite