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Table of Contents
1 Introduction
1.1 Demands for energy storage system
1.2 Li-ion batteries
1.3 Post Li-ion batteries
1.3.1 Na-ion batteries
1.3.2 Li metal batteries
1.4 References
2 Na intercalation chemistry in graphite
2.1 Introduction
2.2 Experimental and computational details
2.2.1 Materials
2.2.2 Electrode preparation and electrochemical measurements
2.2.3 Operando XRD analysis
2.2.4 Computational details
2.3 Staging behavior upon Na-solvent co-intercalation
2.4 Na-solvent co-intercalation into graphite structure
2.5 Solvent dependency on electrochemical properties
2.6 Conclusions
2.7 References
3 Conditions for reversible Na intercalation in graphite
3.1 Introduction
3.2 Computational details
3.3 Unstable Na intercalation in graphite
3.3.1 Destabilization energy of metal reconstruction
3.3.2 Destabilization energy of graphite framework upon intercalation
3.3.3 Local interaction between alkali metal ions and the graphite framework
3.3.4 Mitigating the unfavorable local interaction between Na and graphene layers
3.4 Conditions of solvents for reversible Na intercalation into graphite
3.4.1 Solvent dependency on reversible Na-solvent co-intercalation behavior
3.4.2 Thermodynamic stability of Na-solvent complex
3.4.3 Chemical stability of Na-solvent complex
3.4.4 Unified picture of Na-solvent co-intercalation behavior
3.5 Conclusions
3.6 References
4 Electrochemical deposition and stripping behavior of Li metal
4.1 Introduction
4.2 Computational details
4.3 Effect of deposition rate
4.4 Effect of surface geometry
4.5 Implications of SEI layer properties
4.6 Consequences of the history of deposition and stripping
4.7 Conclusions
4.8 References. .
1.1 Demands for energy storage system
1.2 Li-ion batteries
1.3 Post Li-ion batteries
1.3.1 Na-ion batteries
1.3.2 Li metal batteries
1.4 References
2 Na intercalation chemistry in graphite
2.1 Introduction
2.2 Experimental and computational details
2.2.1 Materials
2.2.2 Electrode preparation and electrochemical measurements
2.2.3 Operando XRD analysis
2.2.4 Computational details
2.3 Staging behavior upon Na-solvent co-intercalation
2.4 Na-solvent co-intercalation into graphite structure
2.5 Solvent dependency on electrochemical properties
2.6 Conclusions
2.7 References
3 Conditions for reversible Na intercalation in graphite
3.1 Introduction
3.2 Computational details
3.3 Unstable Na intercalation in graphite
3.3.1 Destabilization energy of metal reconstruction
3.3.2 Destabilization energy of graphite framework upon intercalation
3.3.3 Local interaction between alkali metal ions and the graphite framework
3.3.4 Mitigating the unfavorable local interaction between Na and graphene layers
3.4 Conditions of solvents for reversible Na intercalation into graphite
3.4.1 Solvent dependency on reversible Na-solvent co-intercalation behavior
3.4.2 Thermodynamic stability of Na-solvent complex
3.4.3 Chemical stability of Na-solvent complex
3.4.4 Unified picture of Na-solvent co-intercalation behavior
3.5 Conclusions
3.6 References
4 Electrochemical deposition and stripping behavior of Li metal
4.1 Introduction
4.2 Computational details
4.3 Effect of deposition rate
4.4 Effect of surface geometry
4.5 Implications of SEI layer properties
4.6 Consequences of the history of deposition and stripping
4.7 Conclusions
4.8 References. .