i want a structural frame for my thesis report ; am working on interaction of fe cluster on graphene using a computational approach i.e. DFT .how should i design this

1. Introduction 1.1 Background and Motivation 1.2 Research Objectives 1.3 Scope of the Study 1.4 Thesis Structure 2. Theoretical Background 2.1 Fundamentals of Graphene 2.2 Basics of Iron (Fe) Clusters 2.3 Introduction to Density Functional Theory (DFT) 3. Computational Methodology 3.1 Selection of Computational Tools 3.2 Parameter Optimization in DFT 3.3 System Setup and Simulation Process 4. Interaction Mechanisms 4.1 Binding Sites on Graphene 4.2 Fe Cluster Interaction Patterns 4.3 Energetic Considerations 5. Results and Analysis 5.1 Structural Characterization 5.2 Electronic Properties 5.3 Mechanical Properties 6. Discussion 6.1 Interpretation of Computational Results 6.2 Comparisons with Experimental Data 6.3 Implications for Material Design 7. Challenges and Limitations 7.1 Computational Constraints 7.2 Model Assumptions 7.3 Limitations of DFT in this Study 8. Conclusions and Future Work 8.1 Summary of Findings 8.2 Contributions to the Field 8.3 Suggestions for Future Research