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Geometric and Electronic Properties of Graphene-Related Systems
Chemical Bonding Schemes1689
Due to its physical, chemical, and material properties, graphene has been widely studied both theoretically and experimentally since it was first synthesized in 2004. This book explores in detail the most up-to-date research in graphene-related systems, including few-layer graphene, sliding bilayer graphene, rippled graphene, carbon nanotubes, and adatom-doped graphene, among others. It focuses on the structure-, stacking-, layer-, orbital-, spin- and adatom-dependent essential properties, in which single- and multi-orbital chemical bondings can account for diverse phenomena. Geometric and Electronic Properties of Graphene-Related Systems: Chemical Bonding Schemes is excellent for graduate students and researchers, but understandable to undergraduates. The detailed theoretical framework developed in this book can be used in the future characterization of emergent materials.
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"The authors have succeeded in linking and explaining all their calculated results through the basic concept of chemical bonding. Based on the wide range of graphene-related structures that this book covers, it provides useful information for developing new applications. In general, the approach and selection of topics are excellent." -Godfrey Gumbs, City University of New York, USA "One of the most comprehensive attempts to review the electronic structure and the optical properties of graphene multilayers." -Rafael Roldan, Instituto de Ciencia de Materiales de Madrid ICMM-CSIC, Spain
Ngoc Thanh Thuy Tran obtained her PhD in physics in January 2017 from the National Cheng Kung University (NCKU), Taiwan. She works as a postdoctoral researcher at Center for Micro/Nano Science and Technology, NCKU. Her scientific interest focuses on the functionalization of graphene and its derivatives using first-principle calculations. Shih-Yang Lin received his PhD in physics in 2015 from the National Cheng Kung University (NCKU), Taiwan. Since 2015, he has been a postdoctoral researcher in NCKU. His research interests include low-dimensional group IV materials and first-principle calculations. Chiun-Yan Lin obtained his PhD in 2014 in physics from the National Cheng Kung University (NCKU), Taiwan. Since 2014, he has been a postdoctoral researcher in the department of physics at NCKU. His main scientific interests are in the field of condensed matter physics, modeling, and simulation of nanomaterials. Most of his research is focused on the electronic and optical properties of two-dimensional nanomaterials. Ming-Fa Lin is a distinguished professor in the Department of Physics, National Cheng Kung University, Taiwan. He received his PhD in physics in 1993 from the National Tsing-Hua University, Taiwan. His main scientific interests focus on essential properties of carbon-related materials and low-dimensional systems. He is a member of American Physical Society, American Chemical Society, and Physical Society of Republic of China (Taiwan).
Abstract List of Figures List of Tables 1 Introduction 2 Computational Methods 3 Few-Layer Graphenes 3.1 AAA Stacking 3.2 ABA Stacking 3.3 ABC Stacking 3.4 AAB Stacking 3.5 The First-Principles Method and the Tight-Binding Model 3.6 Comparisons and Experimental Measurements 4 Structure-enriched Graphenes 4.1 Sliding Bilayer Graphene 4.2 Graphene Ripples 5 Graphene Oxides 5.1 Single-Side Adsorption 5.2 Double-Side Adsorption 6 Hydrogenated Graphenes 6.1 Single-Side Adsorption 6.2 Double-Side Adsorption 7 Halogenated Graphenes 7.1 Halogenation-Diversified Essential Properties 7.2 Comparisons, Measurements and Applications 8 Alkali-Adsorbed Graphene-Related Systems 8.1 Alkali-Adsorbed Graphenes 8.2 Alkali-Adsorbed Graphene Nanoribbons 9 Metallic Adatom-Doped Systems 9.1 Al-Adsorbed Graphenes 9.2 Bi-Adatom Adsorption Configurations on SiC-Based Braphene Surface 10 Concluding Remarks Problems Acknowledgments Bibliography