Graphene-like materials have attracted considerable interest in the fields of condensed-matter physics, chemistry, and materials science due to their interesting properties as well as the promise of a broad range of applications in energy storage, electronic, optoelectronic, and photonic devices.The contents present the diverse phenomena under development in the grand quasiparticle framework through the first-principles calculations. The critical mechanisms, the orbital hybridizations and spin configurations of graphene-like materials through the chemical adsorptions, intercalations, substitutions, decorations, and heterojunctions, are taken into account. Specifically, the hydrogen-, oxygen-, transition-metal- and rare-earth-dependent compounds are thoroughly explored for the unusual spin distributions. The developed theoretical framework yields concise physical, chemical, and material pictures. The delicate evaluations are thoroughly conducted on the optimal lattices, the atom- and spin-dominated energy bands, the orbital-dependent sub-envelope functions, the spatial charge distributions, the atom- orbital- and spin-projected density of states, the spin densities, the magnetic moments, and the rich optical excitations. All consistent quantities are successfully identified by the multi-orbital hybridizations in various chemical bonds and guest- and host-induced spin configurations.The scope of the book is sufficiently broad and deep in terms of the geometric, electronic, magnetic, and optical properties of 3D, 2D, 1D, and 0D graphene-like materials with different kinds of chemical modifications. How to evaluate and analyze the first-principles results is discussed in detail. The development of the theoretical framework, which can present the diversified physical, chemical, and material phenomena, is obviously illustrated for each unusual condensed-matter system. To achieve concise physical and chemical pictures, the direct and close combinations of the numerical simulations and the phenomenological models are made frequently available via thorough discussions. It provides an obvious strategy for the theoretical framework, very useful for science and engineering communities.

Structure- and Adatom-Enriched Essential Properties of Graphene Nanoribbons offers a systematic review of the feature-rich essential properties in emergent graphene nanoribbons, covering mainstream theoretical and experimental research. It includes a wide range of 1D systems; namely, armchair and zigzag graphene nanoribbons with and without hydrogen terminations, curved and zipped graphene nanoribbons, folded graphene nanoribbons, carbon nanoscrolls, bilayer graphene nanoribbons, edge-decorated graphene nanoribbons, and alkali-, halogen-, Al-, Ti, and Bi-absorbed graphene nanoribbons. Both multiorbital chemical bondings and spin arrangements, which are responsible for the diverse phenomena, are explored in detail. First-principles calculations are developed to thoroughly describe the physical, chemical, and material phenomena and concise images explain the fundamental properties. This book examines in detail the application and theory of graphene nanoribbons, offering a new perspective on up-to-date mainstream theoretical and experimental research.

This monograph offers a comprehensive overview of diverse quantization phenomena in layered materials, covering current mainstream experimental and theoretical research studies, and presenting essential properties of layered materials along with a wealth of figures. This book illustrates commonly used synthesis methods of these 2D materials and compares the calculated results and experimental measurements, including novel features not yet reported. The book also discusses experimental measurements of magnetic quantization, theoretical modeling for studying systems and covers diversified magneto-electronic properties, magneto-optical selection rules, unusual quantum Hall conductivities, and single- and many-particle magneto-Coulomb excitations. Rich and unique behaviors are clearly revealed in few-layer graphene systems with distinct stacking configuration, stacking-modulated structures, silicon-doped lattices, bilayer silicene/germanene systems with the bottom-top and bottom-bottom buckling structures, monolayer and bilayer phosphorene systems, and quantum topological insulators. The generalized tight-binding model, the static and dynamic Kubo formulas, and the random-phase approximation are developed/modified to thoroughly explore the fundamental properties and propose the concise physical pictures. Different high-resolution experimental measurements are discussed in detail, and they are consistent with the theoretical predictions. Aimed at readers working in materials science, physics, and engineering this book should be useful for potential applications in energy storage, electronic devices, and optoelectronic devices.

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.

Structure- and Adatom-Enriched Essential Properties of Graphene Nanoribbons offers a systematic review of the feature-rich essential properties in emergent graphene nanoribbons, covering mainstream theoretical and experimental research. It includes a wide range of 1D systems; namely, armchair and zigzag graphene nanoribbons with and without hydrogen terminations, curved and zipped graphene nanoribbons, folded graphene nanoribbons, carbon nanoscrolls, bilayer graphene nanoribbons, edge-decorated graphene nanoribbons, and alkali-, halogen-, Al-, Ti, and Bi-absorbed graphene nanoribbons. Both multiorbital chemical bondings and spin arrangements, which are responsible for the diverse phenomena, are explored in detail. First-principles calculations are developed to thoroughly describe the physical, chemical, and material phenomena and concise images explain the fundamental properties. This book examines in detail the application and theory of graphene nanoribbons, offering a new perspective on up-to-date mainstream theoretical and experimental research.

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.

Fundamental Physicochemical Properties of Germanene-related Materials: A Theoretical Perspective provides a comprehensive review of germanene-related materials to help users understand the essential properties of these compounds. The book covers various germanium complex states such as germanium oxides, germanium on Ag, germanium/silicon composites and germanium compounds. Diverse phenomena are clearly illustrated using the most outstanding candidates of the germanium/germanene-related material. Delicate simulations and analyses are thoroughly demonstrated under the first-principles method, being fully assisted by phenomenological models. Macroscopic phenomena in chemical systems, including their principles, practices and concepts of physics such as energy, structure, thermodynamics and quantum chemistry are fully covered. Germanium-based materials play critical roles in the basic and applied sciences, as clearly revealed in other group-IV and group-V condensed-matter systems. Their atomic configurations are suitable for creating the active chemical bonding among the identical and/or different nearest-neighboring atoms leading to diverse physical/chemical/material environments.