Graphene Chemistry: Theoretical Perspectives

This book is unique in providing a comprehensive understanding of graphene chemistry at the atomic-level from a theoretical perspective. It provides a bottom-up approach to relate graphene's properties and functions to its structure through state-of-the-art computational studies.

Following an introduction to graphene chemistry and the importance of theoretical and computational investigations, the book goes on to discuss the structure of graphene in depth, relating its...
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This book is unique in providing a comprehensive understanding of graphene chemistry at the atomic-level from a theoretical perspective. It provides a bottom-up approach to relate graphene's properties and functions to its structure through state-of-the-art computational studies.

Following an introduction to graphene chemistry and the importance of theoretical and computational investigations, the book goes on to discuss the structure of graphene in depth, relating its structure to properties such as electronic structure, magnetism, and chemical reactivity, and potential functions in energy storage, catalysis and nanoelectronics. Throughout the book, there is a strong focus on the structure-property-function relationship, correlating the unique structure and properties of graphene, and exploring the potential this offers in a variety of applications.

Topic covered include: - Aromaticity of graphene and graphene nanoribbons - Physical properties and preparation of graphene nanoribbons- Properties of nanographenes- Porous graphene and nanomeshes- Graphene-based architecture and assemblies- Doped graphene- Surface functionalization of graphene- Graphene Chemical Vapor Deposition growth- Graphene-based materials as nanocatalysts- Hydrogen storage in graphene