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. This book is unique in providing a comprehensive understanding of graphene chemistry at the atomic-level from a theoretical perspective. Materials Properties Database Committee 3
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