Spin Chemical Physics Of Graphene

Graphene’s nickname ‘miracle material’ normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical - and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science – sci graphene – on the one hand, and as a working material- high tech graphene - for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity.

Graphene’s nickname ‘miracle material’ normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical - and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science – sci graphene – on the one hand, and as a working material- high tech graphene - for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity.

One of the greatest revolutions in materials science in recent years has been the literal renaissance of age-old materials in new and unexpected guises and possessing correspondingly astounding properties. There was once a time, for instance, when textbooks declared that only metals could offer any progress in superconduction. Since then, familiar perovskites – and even humble magnesium boride – have been recognised as being so-called ‘room-temperature’ superconductors. Carbon in particular has benefited from this revolution and has now found application as routinely deposited diamond coatings and as C60 ‘buckyballs’. The most recent innovation has been the discovery and preparation of graphene; single-monolayer carbon having a remarkable strength. This success has naturally led researchers to ask whether other materials might also be prepared in an analogous monolayer form and offer similarly amazing properties. The present monograph summarizes all of the work carried out on such monolayer materials up to the beginning of 2017, with attention being restricted to those, like graphene, being composed of a single element. Most of the work done so far on these ‘elemental graphene analogues’ has been theoretical, but the existing experimental data suggest that they may well become as useful as graphene.

Since its discovery in 2004, graphene has been a great sensation due to its unique structure and unusual properties, and it has only taken 6 years for a Noble Prize to be awarded for the field of graphene research. This monograph gives a well-balanced overview on all areas of scientific interest surrounding this fascinating nanocarbon. In one handy volume it offers comprehensive coverage of the topic, including chemical, materials science, nanoscience, physics, engineering, life science, and potential applications. Other graphene-like, inorganic layered materials are also discussed. Edited by two highly honored scientists, this is an invaluable companion for inorganic, organic, and physical chemists, materials scientists, and physicists. From the Contents: * Synthesis, Characterization, and Selected Properties of Graphene * Understanding Graphene via Raman Scattering * Physics of Quanta and Quantum Fields in Graphene * Graphene and Graphene-Oxide-Based Materials for Electrochemical Energy Systems * Heterogeneous Catalysis by Metal Nanoparticles supported on Graphene * Graphenes in Supramolecular Gels and in Biological Systems and many more

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.

Graphene has been attracting growing attentions in physics, chemistry, and device applications after the discovery of micromechanically cleaved graphene sheet by A. Geim and K. Novoselov, who were awarded the 2010 Nobel Prize in Physics. The electronic structure of graphene, which is described in terms of massless Dirac fermions, brings about unconventional electronic properties, which are not only an important basic issue in condensed matter physics but also a promising target of cutting-edge electronics/spintronics device applications. Meanwhile, from chemistry aspect, graphene is the extreme of condensed polycyclic hydrocarbon molecules extrapolated to infinite size. Here, the concept on aromaticity, which organic chemists utilize, is applicable. Interesting issues appearing between physics and chemistry are pronounced in nanosized graphene (nanographene), as we recognize the importance of the shape of nanographene in understanding its electronic structure. This book comprehensively discusses the fundamental issues related to the electronic, magnetic, and chemical properties of condensed polycyclic hyodrocarbon molecules, nanographene, and graphene.

From a chemistry aspect, graphene is the extrapolated extreme of condensed polycyclic hydrocarbon molecules to infinite size. Here, the concept on aromaticity which organic chemists utilize is applicable. Interesting issues appearing between physics and chemistry are pronounced in nano-sized graphene (nanographene), as we recognize the importance of the shape of nanographene in understanding its electronic structure. In this book, the fundamental issues on the electronic, magnetic, and chemical properties of condensed polycyclic hyodrocarbon molecules, nanographene and graphene are comprehensively discussed.

This book provides a state of the art report of the knowledge accumulated in graphene research. The fascination with graphene has been growing very rapidly in recent years and the physics of graphene is now becoming one of the most interesting as well as the most fast-moving topics in condensed-matter physics. The Nobel prize in physics awarded in 2010 has given a tremendous impetus to this topic. The horizon of the physics of graphene is ever becoming wider, where physical concepts go hand in hand with advances in experimental techniques. Thus this book is expanding the interests to not only transport but optical and other properties for systems that include multilayer as well as monolayer graphene systems. The book comprises experimental and theoretical knowledge. The book is also accessible to graduate students.