Lithium-Ion Batteries

The following sections are included:

• CONTENTS

• PREFACE

The following sections are included:

• Introduction

• SEI Formation Processes and Morphology
  • The Main Principles and Routes of SEI Formation
  • Structure of the SEI

• Chemical Composition and Properties of the SEI on Inert Substrate and Lithium
  • Inert Metal Substrate
  • Lithium Covered by a Native Film
  • SEI Formation in Solid Polymer and Gel Electrolytes

• Carbonaceous Electrodes
  • Principles of SEI Formation
  • SEI Composition and Morphology
    • HOPG
    • SLX20
    • Disordered Carbons
    • Overview of SEI Composition and Properties in Different Carbon/Non-aqueous Electrolyte Systems
    • Effect of Carbon Modification on SEI Formation

• SEI Formation on Lithium-Tin-Based Alloys

• Conclusions

• References

The following sections are included:

• Introduction
  • Passivation of Surface Films: A General Phenomenon
  • Modes of Growth of Surface Films, and Their Transport Properties
  • On the Effect of the Electrolyte Solutions
  • The Role of the Cation in Surface Phenomena in Non-aqueous Electrolyte Solutions
  • On the Impact of the Electrode's Material
  • Some Comments on Applications

• Methods for Identification of Surface Films on Electrodes
  • Introductory Remarks
  • Fast Fourier Transform Infrared Spectroscopy (FTIR)
  • Raman Spectroscopy
  • Ultraviolet, Visible Light (UV-Vis)
  • Extended X-ray Absorption Fine Structure (EXAFS), X-ray Absorption Near-Edge Structure (XANES)
  • X-ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES)
  • Energy Dispersive Analysis of X-rays (EDAX)
  • Secondary Ion Mass Spectrometry (SIMS)
  • Electrochemical Quartz Crystal Microbalance (EQCM)
  • X-ray Diffractometry (XRD)
  • NMR, ESR Spectroscopy
  • Scanning Probe Microscopies (AFM, STM)
  • The Use of UHV Systems for Identification of Surface Films Formed on Lithium

• The General Structure of Surface Films on Reactive Surfaces
  • Introduction
  • Surface Film Formation on Active Metals
  • Surface Film Formation on Non-reactive Metal and Carbon Electrodes
  • On Transport Properties of Surface Films

• Impedance Spectroscopy of Electrodes Covered by Surface Films
  • Introductory Remarks
  • Active Metal Electrodes
    • Lithium
    • Mg Electrodes
  • Non-active Metal Electrodes Polarized to Low Potentials

• Identification of Surface Films Formed on Lithium and Non-active Electrode Polarized to Low Potentials in Li Salt Solutions
  • The Preparation of a Library of FTIR Spectra
  • Identification of Surface Films Formed on Li Electrodes in Ether Solutions
  • Identification of Surface Films Formed on Li and Non-active Electrodes at Low Potentials in Ester Solutions
  • Identification of Surface Films Formed on Li and Non-active Metals at Low Potentials in Alkyl Carbonate Solutions
  • The Impact of Salt Anions and Contaminant Reactions on the Surface Chemistry of Lithium and Noble Metal Electrodes in Non-aqueous Li Salt Solutions
  • On Surface Films Formed on Li Electrodes in Polymeric Electrolytes

• Surface Films on Lithiated Carbon Electrodes
  • Introductory Remarks: Surface Film Formation on Carbon Electrodes, the Influence of the Type of Carbon, and the Impact of the Surface Films on Li Insertion Processes
  • On the Identification of Surface Films Formed on Lithiated Graphite Electrodes
  • On the Correlation Between the Performance of Lithiated Graphite Anodes and Their Surface Chemistry

• Surface Studies of Lithium and Lithiated Carbon Electrodes by Scanning Probe Microscopy
  • Imaging of Li Electrodes by AFM
  • Graphite Electrodes

• About Surface Film Formation on Transition Metal Oxide Cathodes in Non-aqueous Salt Solution

• Identification of Surface Films on Calcium and Magnesium Electrodes

• Concluding Remarks

• References

The following sections are included:

• Introduction

• SEI on Tin Oxide Anode in Various Electrolytes
  • Sample Preparation and Instrumental
  • Capacity Loss and Electrolyte Decomposition in First Cycle
  • HRTEM Study of SEI Structure on Nano-SnO Surface
  • Identification of Li₂CO₃ and ROCO₂Li on Nano-SnO Anodes
  • Formation of Li₂CO₃ and ROCO₂Li on Nano-SnO Anodes
  • Question: What Is the Reduction Sequence of SnO and Electrolyte?
  • Electrolyte-Dependent SEI Compositions
  • Conclusions

• Surface Enhanced Raman Scattering (SERS) on Rough Electrodes
  • Normal Raman Scattering and SERS Studies on Battery Materials
  • Experimental
  • Electrochemical Performance of Ag Electrode
  • SERS Study of Passivating Film on Ag Electrode in Lithium Batteries
  • Prospects and Conclusions on Raman Scattering in SEI Investigation

• Infrared Absorption and X-ray Photoelectron Spectroscopic Investigation on Performance Improvement of Surface-Modified LiCoO₂ Cathode Materials
  • Sample Preparation
  • Comparison of EC Adsorbed on Different Substrates
  • IR Spectra of EC on Electrodes Charged to Different Voltages
  • XPS Study on Evolution of Electronic Structure of Cathode Materials with Charge Voltages
  • Conclusions

• Summary and Comments

• Acknowledgments

• References

The following sections are included:

• Introduction

• Charge and Discharge Characteristics of Graphite Anode in EC- and PC-Based Solutions

• Morphology Changes of HOPG Basal Plane in the Initial Stage of Solvent Decomposition

• SEI Formation in EC-Based Solutions

• Effect of Co-solvent on Solvent Co-intercalation in EC-based Solutions

• Additives in PC-Based Solutions
  • Roles of VC, FEC, and ES as Additives
  • Roles of Other Additives in PC-Based Solutions

• Summary and Outlook

• References

The following sections are included:

• Introduction

• Theoretical Models and Computational Details

• Initial Reduction of Li⁺(EC), Li⁺(PC), and Li⁺(VC)

• Comparison of Reductive Decomposition Between EC and PC: Li⁺(EC)_n and Li⁺(PC)_n (n = 2, 3)
  • Reduction Potentials and Ring Opening Barriers of EC and PC
  • Decomposition Products of EC and PC: Li⁺(EC)₂ and Li⁺(PC)₂

• The Effect of VC on the Reductive Decomposition of EC and PC: (S)_nLi⁺(VC) (S = EC and PC; n = 1 and 2) Clusters
  • Initial Reduction
  • Termination Reaction of Radical Anions
  • Summary of Reductive Decomposition of Solvents in the Presence of VC

• Associations of Lithium Alkyl Dicarbonates Through O^-•••Li⁺ •••O^- Bridges
  • Geometries and Energetics
  • Vibrational Frequencies

• Adsorption and Two-Dimensional Association of Lithium Alkyl Dicarbonates on Graphite Surfaces Through O^-•••Li⁺••••π(Arene) Interactions
  • H-truncated Cluster Models
  • Adsorption of Lithium Alkyl Dicarbonates on the Basal Plane of the Neutral Graphite Surface
  • Adsorption of Lithium Alkyl Dicarbonates on the Basal Plane of Negatively Charged Gr₅₄^- and Edge Plane of Gr₇₈^-
  • Two-Dimensional Association of Lithium Alkyl Dicarbonates on the Basal Plane of the Graphite Surface (Gr₉₆)
  • Summary about Adsorptions of LVD, LED and LPD on Graphite Anode Surface

• Remarks on the Failure of PC and the Efficiency of VC for the SEI Layer Formation in EC/PC-Based Solutions

• References

The following sections are included:

• Introduction

• Continuum Models for SEI Growth
  • Overview of Previous Macroscopic Models
  • Elements of Continuum Mechanics
    • Kinematics
    • Conservation of Mass
  • Dynamic Continuum Models for SEI Formation and Growth
    • Growth Limited by SEI Electronic Conductivity
    • Growth Limited by Solvent Diffusion

• Statistical Mechanics-Based Model
  • Description of the Lattice-Gas Model
    • Implementation of the Model
  • Results and Discussions
  • Remarks with Respect to the Lattice Model

• References

The following sections are included:

• Introduction

• Carbon as a Host in Lithium Ion Cells

• Alternative Anode Materials

• UV Raman Spectroscopy of Templated-Disordered Carbons

• SEI characterization by NEXAFS

• Conclusions

• Acknowledgements

• References

The following sections are included:

• Background

• LiMn₂O₄
  • XPS Analysis
  • Elevated Temperature Effects for LiMn₂O₄

• LiCoO₂, LiNiO₂ and LiNi_0.8Co_0.2O₂

• LiFePO₄

• Summary

• References

The following sections are included:

• Introduction

• Computational Details

• Geometric Structures of Various Cyclic/Linear Carbonates, and Effective Additives and Co-solvents to PC-Based Solutions

• Self and Cross Associations of Cyclic/Linear Carbonates via C-H•••O Interactions
  • Geometric and Energetic Properties
  • C-H Bond Lengths and Vibrational Frequencies
  • C=O Bond Lengths and Vibrational Frequencies
  • Characteristics of C-H•••O Interactions Using AIM

• Li⁺ Solvation from Alkyl Carbonates
  • Interactions Between Li⁺ and Organic Solvents
  • Solvation Number of Li⁺

• Conclusion: Implications for SEI Layer Phenomena

• References

The following sections are included:

• INDEX