Influence of Particle Beam Irradiation on the Structure and Properties of Graphene (Springer Theses)

This thesis focuses on the nanomanufacturing of graphene--a newly discovered, two-dimensional material with extraordinary properties--in order to realize its numerous potential applications. Combining experimental implementation with theoretical modelling, it investigates three classes of graphene nanostructure fabrication using particle beam irradiation : (i) doping of graphene using low energy nitrogen irradiation; (ii) joining of graphene sheets with laser and C, N, and Ar ion beam irradiation; and (iii) fabrication of graphene nanopores by means of focused ion beam and electron beam irradiation. The feasibility of the nanomanufacture of graphene using particle beam irradiation is demonstrated by various experimental methods, and the mechanisms involved under different types of beam irradiation are revealed using theoretical calculations. Further, the book analyzes the mechanical and electrical properties of the fabricated graphene nanostructures by means of atomic simulations to predict the application potentials of the proposed methods. The findings help promote the implementation of graphene-structure applications in industry Supervisor’s Foreword 6 Acknowledgements 9 Contents 10 Abbreviations 14 1 Introduction 15 1.1 Basic Introduction of Graphene 15 1.1.1 Overview of the Development History of Graphene 15 1.1.2 Structure and Properties of Graphene 17 1.1.2.1 Structure of Graphene 17 1.1.2.2 Properties of Graphene 18 1.1.3 Main Preparation Methods of Graphene 20 1.1.3.1 Mechanical Exfoliation Method 20 1.1.3.2 Redox Method 20 1.1.3.3 SiC Epitaxial Growth Method 21 1.1.3.4 CVD 22 1.1.4 Applications of Graphene 22 1.2 Processing of Graphene 24 1.2.1 Joining of Graphene 24 1.2.2 Fabrication of Graphene Nanopore 25 1.2.3 Doping of Graphene 25 1.3 Particle Beam Processing and Its Application in Graphene Structure 27 1.3.1 Introduction of Particle Beam Processing 27 1.3.2 Research Status of Particle Beam Processing Graphene 28 1.4 Problem Introduction 30 1.5 Research Content 32 References 33 2 Experiment Approaches and Simulation Methods 37 2.1 Synthesis and Characterization of Graphene Specimen 37 2.1.1 Preparation of Monolayer and Multilayer Graphene Specimens 37 2.1.1.1 CVD Preparation Method 37 2.1.1.2 Substrate Etching and Graphene Transfer 39 2.1.2 The Main Characterization Methods of Graphene Sample 40 2.1.3 The Main Experimental Equipment for Graphene Processing 42 2.2 Introduction of MD Simulation 43 2.2.1 Concepts 43 2.2.2 Basic Principles of Classic MD 43 2.2.3 Atomic Interaction Force 44 2.2.3.1 L-J Potential 44 2.2.3.2 AIREBO Potential 45 2.2.3.3 Tersoff Potential 46 2.2.3.4 ZBL Exclusion Potential 47 2.2.4 Integral Algorithm 48 2.2.5 Simulation Ensemble 49 2.2.6 Averaging of Statistical Results 50 2.2.6.1 Energy 50 2.2.6.2 Temperature 51 2.2.6.3 Stress 51 2.2.7 Introduction of Simulation Software 52 2.3 Electronic Transport Theory 52 2.3.1 Introduction 52 2.3.2 DFT 52 2.3.2.1 Born-Oppenheimer and Hartree-Fock Approximation 53 2.3.2.2 Thomas-Fermi Model 54 2.3.2.3 Hohenberg-Kohn Theorem 55 2.3.2.4 Kohn-Sham Model 56 2.3.2.5 Exchange-Correlation Functional 57 2.3.3 Green Function Theory 57 2.3.3.1 NEGF 57 2.3.3.2 NEGF Theory in Electronic Transport 59 2.3.4 Solution Process of the Electronic Transport Properties of Graphene 61 2.3.5 Introduction to Simulation Software 62 2.4 Chapter Summary 62 References 64 3 General Mechanisms During the Interaction Between Particle Beam and Graphene 65 3.1 Introduction 65 3.2 Interaction Between Laser Beam and Graphene 66 3.2.1 Damage Threshold of Graphene Irradiated by Single Pulse Laser 66 3.2.2 The Change of the Morphology of Graphene Under Ultrafast Laser 68 3.2.3 Experimental Processing of Graphene Structure Under Ultrafast Laser Irradiation 70 3.3 Interaction Between Ion Beam and Graphene 71 3.3.1 The Phenomenon of Graphene Irradiated by Different Energy Ion Beam 71 3.3.2 Effect of Substrate on Ion Beam Irradiation of Graphene 74 3.4 Interaction Between Electron Beam and Graphene 78 3.4.1 Experimental Study on the Change of Graphene Structure by Electron Beam Irradiation 79 3.4.2 Mechanism of the Destruction of Graphene Structure Under Electron Beam Irradiation 81 3.4.2.1 Influence of Electron Beam Irradiation on Graphene Structure with Different Irradiation Parameters 82 3.4.2.2 Effect of Vacancy Defects on the Destruction of Graphene Under Electron Beam Irradiation 83 3.5 Chapter Summary 85 References 86 4 Doping of Graphene Using Low Energy Ion Beam Irradiation and Its Properties 87 4.1 Introduction 87 4.2 Experimental Studies of Graphene Doping by Ion Beam Irradiation 87 4.2.1 Experiment Procedure 87 4.2.2 Experiment Results of Low Energy Ion Implantation Doping 88 4.2.3 Summary of the Experiment 92 4.3 Theoretical Analysis of the Doping Mechanism 92 4.3.1 Research Model 93 4.3.2 Variation of Graphene Structure Under Nitrogen Ion Implantation 93 4.3.3 The Energy of the System Corresponding to the Different Doping Configurations 94 4.3.4 Influence of the Energy and Dose of Implanted Ion Beam 97 4.4 Mechanical Properties of Doped Graphene by Ion Beam Irradiation 98 4.4.1 MD Simulation Model 99 4.4.2 Effect of Implantation Doping on Tensile Stress Distribution of Graphene 100 4.4.3 The Influence of Doping Concentration and Doping Ion Distribution 101 4.4.4 Influence of Defect Concentration and Doping Element Type 103 4.5 Electronic Transport Properties of Doped Graphene 104 4.5.1 Research Model 105 4.5.2 Electronic Transport Properties Under Different Doping Forms 106 4.5.3 Effect of Doping Position on Electrical Performance 109 4.6 Summary 111 References 112 5 Joining of Graphene by Particle Beam Irradiation and Its Properties 113 5.1 Introduction 113 5.2 Experimental Studies of Graphene Joining by Particle Beam Irradiation 113 5.2.1 Preparation and Characterization of Graphene Joining Samples 114 5.2.2 Graphene Joining by Ion Beam Irradiation 118 5.2.3 Graphene Joining by Laser Irradiation and Thermal Annealing 120 5.2.4 Experiment Summary 124 5.3 Theoretical Analysis of the Joining Mechanism 124 5.3.1 Graphene Joining Under Laser Beam Irradiation 125 5.3.1.1 Research Model 125 5.3.1.2 Results of Graphene Joining Under Laser Irradiation 127 5.3.1.3 Mechanism of Graphene Joining Under Laser Irradiation 128 5.3.2 Joining of Graphene by Ion Beam Irradiation 130 5.3.2.1 Research Model 130 5.3.2.2 Joining Results of Graphene by Ion Beam Irradiation 131 5.3.2.3 Joining Mechanism of Graphene Under Ion Beam Irradiation 132 5.4 Mechanical Properties of the Graphene Joint 134 5.4.1 Mechanical Properties of Butt Joint of Graphene 134 5.4.1.1 Research Model 134 5.4.1.2 Mechanical Properties of Butt Joint with Different Forms 135 5.4.1.3 Effect of the Angle of Crystal Orientation on Mechanical Properties 136 5.4.2 Mechanical Properties of Overlapped Graphene Joint 139 5.4.2.1 Research Model 139 5.4.2.2 Mechanical Properties of Overlapped Graphene Under Ar Ion Irradiation 140 5.4.2.3 Mechanical Properties of Graphene Joined Under C Ion Irradiation 141 5.4.3 Mechanical Properties of Butt Joint Constituted by Multi Pieces of Graphene 143 5.5 Electric Transport Properties of the Graphene Joint 145 5.5.1 Electronic Transport Properties of Butt Joint 145 5.5.1.1 Research Model 145 5.5.1.2 Effect of Polygon Defects on the Transport Properties of Butt Joint 146 5.5.1.3 Effect of Joint Size on Transport Properties 148 5.5.2 Electronic Transport Properties of Overlap Joint 150 5.5.2.1 Research Model 150 5.5.2.2 Electronic Transport Properties of Overlap Joints Under Different Joining Mechanisms 151 5.5.2.3 Effect of the Number of Chemical Bonds on the Electronic Transport Properties 153 5.6 Chapter Summary 154 References 155 6 Fabrication of Graphene Nanopore by Particle Beam Irradiation and Its Properties 157 6.1 Introduction 157 6.2 Experimental Studies of Fabrication of Graphene Nanopore by Particle Beam Irradiation 158 6.2.1 Experiment Procedure 158 6.2.2 Morphology Analysis of Graphene Nanopore 159 6.2.3 Effect of Ion Beam Dose on the Properties of Graphene Nanopore 162 6.2.4 Summary of the Experiment 163 6.3 Theoretical Analysis of the Fabrication Mechanism of Graphene Nanopore 163 6.3.1 Research Model 163 6.3.2 Processing Mechanism of Nanopore 166 6.3.3 Influencing Factors of Nanopore Processing 169 6.3.3.1 Influence of Particle Beam Energy and Dose 170 6.3.3.2 Influence of Graphene Layers 171 6.4 Mechanical Properties of Graphene Nanopore 174 6.4.1 Research Model 174 6.4.2 Tensile Failure Process of Graphene Nanopore 175 6.4.3 Effect of Graphene Chirality on Dynamic Failure Process 176 6.4.4 Effect of Nanopore Size on Mechanical Properties 178 6.4.5 Effect of Vacancy Defect on Mechanical Properties of Nanopore 179 6.5 Electronic Transport Properties of Graphene Nanopore 183 6.5.1 Research Model 183 6.5.2 Effect of Nanopore Size on Electrical Properties 184 6.5.3 Effect of Vacancy Defect on Electrical Performance 186 6.5.4 Effect of Nanopore Shape on Electrical Properties 187 6.6 Summary 189 References 189 7 Conclusion 192 7.1 The Main Conclusions 192 7.2 Future Plan 195 Front Matter ....Pages i-xv Introduction (Xin Wu)....Pages 1-22 Experiment Approaches and Simulation Methods (Xin Wu)....Pages 23-50 General Mechanisms During the Interaction Between Particle Beam and Graphene (Xin Wu)....Pages 51-72 Doping of Graphene Using Low Energy Ion Beam Irradiation and Its Properties (Xin Wu)....Pages 73-98 Joining of Graphene by Particle Beam Irradiation and Its Properties (Xin Wu)....Pages 99-142 Fabrication of Graphene Nanopore by Particle Beam Irradiation and Its Properties (Xin Wu)....Pages 143-177 Conclusion (Xin Wu)....Pages 179-182