Introduction to Graphene-Based Nanomaterials

Beginning with an introduction to carbon-based nanomaterials, their electronic properties, and general concepts in quantum transport, this detailed primer describes the most effective theoretical and computational methods and tools for simulating the electronic structure and transport properties of graphene-based systems. Transport concepts are clearly presented through simple models, enabling comparison with analytical treatments, and multiscale quantum transport methodologies are introduced and developed in a straightforward way, demonstrating a range of methods for tackling the modelling of defects and impurities in more complex graphene-based materials. The authors also discuss the practical applications of this revolutionary nanomaterial, contemporary challenges in theory and simulation, and long-term perspectives. Containing numerous problems for solution, real-life examples of current research, and accompanied online by further exercises, solutions and computational codes, this is the perfect introductory resource for graduate students and researchers in nanoscience and nanotechnology, condensed matter physics, materials science and nanoelectronics. 'Torres, Roche, and Charlier have written a very attractive book on graphene-based materials that takes a reader or student with no prior exposure to this topic to a level where he or she can carry out research at a high level and work in this area professionally, assuming a standard background of a condensed matter physics graduate student. ... All in all I would expect this to become a popular text for present and future researchers who will be active in the present decade, advancing science and launching technological innovation.' Mildred Dresselhaus, MIT 'This book covers the fundamental aspects of graphene, starting from the very beginning. ... The book should be useful not only for theoretical researchers but also for graduate students and experimental researchers, who will quickly understand the theorists' perspective. This book will be an important basic textbook on the physics of graphene.' R. Saito, Tohoku University1. Introduction to carbon-based nanostructures; 2. Electronic properties of carbon-based nanostructures; 3. Quantum transport: general concepts; 4. Klein tunnelling and ballistic transport in graphene and related materials; 5. Quantum transport in disordered graphene-based materials; 6. Quantum transport beyond DC; 7. Ab initio and multiscale quantum transport in graphene-based materials; 8. Applications; Appendix A. Electronic structure calculations: the density functional theory; Appendix B. Electronic structure calculations: the many-body perturbation theory; Appendix C. Green's functions and ab initio quantum transport in the Landauer-Buttiker formalism; Appendix D. Recursion methods for computing DOS and wavepacket dynamics; Index.