1. Introduction 1.1 Background and Motivation 1.2 Objectives of the Study 1.3 Structure of the Thesis 2. Graphene and Its Properties 2.1 Overview of Graphene 2.2 Electronic Properties 2.3 Mechanical Properties 3. Iron Clusters: Characteristics and Relevance 3.1 Introduction to Fe Clusters 3.2 Magnetic Properties 3.3 Previous Studies 4. Density Functional Theory (DFT) Methodology 4.1 Fundamentals of DFT 4.2 Computational Parameters 4.3 Limitations of DFT 5. Interaction Mechanisms 5.1 Adsorption of Fe Clusters 5.2 Charge Transfer Analysis 5.3 Structural Changes 6. Computational Approach 6.1 Simulation Setup 6.2 Software and Tools Used 6.3 Data Analysis Techniques 7. Results and Discussion 7.1 Binding Energies 7.2 Impact on Graphene Properties 7.3 Comparison with Literature 8. Conclusions and Future Work 8.1 Summary of Findings 8.2 Implications of the Research 8.3 Suggestions for Further Research
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