1. Introduction
2. Molecular effects of functional polymer binders on Li⁺ transport on the cathode surface within lithium ion battery

2.1 Introduction

2.2 Molecular dynamics simulation details

2.3 Results and discussion

2.4 Summary and future perspectives

3. Essential properties of Li/Li⁺ graphite intercalation compounds

3.1 Introduction

3.2 The theoretical model

3.3 Rich geometric structures of graphites and graphite intercalation compounds

3.4 Unusual band structures of graphite-related systems

3.5 van Hove singularities in density of states

3.6 Chemical bondings and charge distributions

3.7 Summary

4. Defective and amorphous graphene as anode materials for Li-ion batteries: a first-principles study

4.1 Introduction

4.2 Computational methods

4.3 Results and discussions

4.4 Conclusion

5. Rich Essential Properties of Si-Doped Graphene

5.1 Introduction

5.2 Computational methods

5.3 Geometric structures of Si-adsorbed and Si-substituted graphene

5.4 Rich electronic structures

5.5 Spatial charge densities

5.6 The diverse density of states

5.7 Summary

6. Diversified essential properties in transition metals adsorbed Graphene

6.1 Introduction

6.2 The theoretical model

6.3 Results and discussions

6.4 Summary

7. Combining neural network with first-principles calculations for computational screening of electrolyte additives in lithium ion batteries

7.1 Introduction

7.2 Materials and methods

7.3 Results and disscussions

7.4 Conclusion

8. Metal oxide-reduced graphene oxide (MO-RGO) nanocomposite as high performance anode materials in Lithium ion batteries

8.1 Introduction

8.2 Potential binary metal oxides asanode materials in LIBs

8.3 Complex metal oxides as anode materials in LIBs

8.4 Metal oxide-graphene/reduced graphene oxide nanocomposite as anode materials in LIBs

8.5 Our research contribution toward LIB

8.6 Conclusions

9. In-situ X-ray and Neutron Analysis Techniques on Lithium/Sodium ion batteries

9.1 Introduction

9.2 Methodology for in-situ X-ray and neutron scattering experiments

9.3 In-situ X-ray analysis on synergistic effects of Si anode materials

9.4 In-operando X-ray diffraction -- a quantitative analysis on Si-graphite negative electrode

9.5 In-situ X-ray diffraction analysis of lithiation-induced crystal restructuring of Sn/TiO2 nanocrystallites

9.6 In-operando neutron diffraction analysis on low temperature lithium diffusion behaviors in 18650 Li-ion battery

9.7 In-operando neutron diffraction Studies on P2-Na2/3Fe1/3Mn2/3O2 cathode in a sodium ion battery

9.8 Summary

10. Micro-Phase Separated poly(VdF-co-HFP)/Ionic Liquid/Carbonate as Gel Polymer Electrolytes for Lithium-Ion Batteries

10.1 Introduction

10.2 Experimental

10.3 Results and discussion

10.4 Conclusion

11. Gel and solid electrolytes for Lithium ion batteries

11.1 Introduction

11.2 Solid-state electrolytes (SSEs)

11.3 Gel Polymer Electrolytes (GPEs)

11.4 Summary

12. Silicon-Nanowire Based Hybrid Solar Cells

12.1 Introduction

12.2 Silicon nanowires fabrication

12.3 PEDOT: PSS polymer as the p-type layer of hybrid solar cell application

12.4 Silicon Nanowire based Hybrid Solar Cells

12.5 Conclusion

13. Characterization and Performance of Li-ZnO Nanofiber and Nanoforest Photoanodes for Dye-sensitized Solar Cell

13.1 Introduction

13.2 Experimental

13.3 Results and discussion

13.4 Conclusion

14. Review of monolithic dye-sensitized solar cells and perovskite solar cells

14.1 Introduction

14.2 Monolithic dye-sensitized solar cells

1. Mesoporous electrode for monolithic perovskite solar cells
2. Conclusion

15. High-Performance Quasi-Solid-State Polymer Electrolytes for Dye-Sensitized Solar Cell Applications

16. Concluding Remarks

17. Perspective on Battery Research

Index