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Graphene Simulation 石墨烯模拟 DFT, MD, & Quantum theory
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GRAPHENE SIMULATION Edited by Jian Ru Gong 2011 Contents Preface IX Part 1 Electronic Structure and Transport Simulation 1 Chapter 1 DFT Calculation for Adatom Adsorption on Graphene 3 Kengo Nakada and Akira Ishii Chapter 2 Structural and Electronic Properties of Graphene upon Molecular Adsorption: DFT Comparative Analysis 21 Ali Zain Alzahrani Chapter 3 Computer Simulation of Radiation Defects in Graphene and Relative Structures 39 Arkady M.Ilyin Chapter 4 Hydrogenation of Graphene and Hydrogen Diffusion Behavior on Graphene/Graphane Interface 53 Zhimin Ao and Sean Li Chapter 5 Description of Adsorbed Phases on Carbon Surfaces: A Comparative Study of Several Graphene Models 75 José L. Vicente and Alberto G. Albesa Chapter 6 Electronic States of Graphene-Based Ferromagnets 101 Masashi Hatanaka Chapter 7 Nonlinear Transport Through Ultra Narrow Zigzag Graphene Naoribbons 119 Hosein Cheraghchi Chapter 8 Field Emission from Graphene Nanosheets 139 Takahiro Matsumoto, Tomonori Nakamura, Yoichiro Neo, Hidenori Mimura and Makoto Tomita Part 2 Molecular Dynamics Simulation 165 Chapter 9 Theory of Defect Dynamics in Graphene 167 L.L. Bonilla and A. Carpio Chapter 10 Symmetry and Lattice Dynamics 183 Hui Tang, Bing-Shen Wang and Zhao-Bin Su Chapter 11 Universal Quantification of Chemical Bond Strength and Its Application to Low Dimensional Materials 211 Bo Xu, Xiaoju Guo and Yongjun Tian Part 3 Development of Quantum Theory on Graphene 227 Chapter 12 The Photoeffect on Graphene and Axion Detection by Graphene 229 Miroslav Pardy Chapter 13 Planar Dirac Fermions in External Electromagnetic Fields 251 Gabriela Murguía, Alfredo Raya and Ángel Sánchez Chapter 14 Nonlinear Plasmonics Near the Dirac Point in Negative-Zero-Positive Index Metamaterials–Optical Simulations of Electron in Graphene 269 Ming Shen and Linxu Ruan Chapter 15 Zitterbewegung (Trembling Motion) of Electrons in Graphene 293 Tomasz M. Rusin and Wlodek Zawadzki Chapter 16 Graphene and Cousin Systems 321 L.B Drissi, E.H Saidi and M. Bousmina Chapter 17 Single-Particle States and Elementary Excitations in Graphene Bi-Wires: Minding the Substrate 355 Cesar E.P. Villegas and Marcos R.S. Tavares |
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