ABSTRACT

This introduction presents an overview of the key concepts discussed in the subsequent chapters of this book. The book focuses on the layer number-, stacking-, shift-, ripple- and doping-dependent geometric structures and electronic properties by using first-principles calculations. It considers the structure-enriched graphenes, graphene oxides, hydrogenated graphenes, and halogen-, alkali-, Al- and Bi-doped graphenes. The book covers the fields related to graphene systems in the forms of few-layer AAA, ABA, ABC, AAB stackings, sliding and rippling configurations, and dopings with various adatoms. It investigates many of the factors affecting the geometric and electronic properties, e.g., the hexagonal symmetry, mirror/inversion symmetry, rotational symmetry, stacking configuration, curvature, boundary condition, adatom distribution and concentration, charge transfer, orbital hybridization, spin arrangement and buffer layer/substrate. The book discusses the dramatic transformations of electronic structures which could be observed by sliding in bilayer graphene and rippling in monolayer graphene.