Graphene Chemistry (PDF)

What are the chemical aspects of graphene as a novel 2D
material and how do they relate to the molecular structure?
This book addresses these important questions from a theoretical
and computational standpoint.

Graphene Chemistry: Theoretical Perspectives presents
recent exciting developments to correlate graphene's
properties and functions to its structure through state-of-the-art
computational studies. This book focuses on the chemistry aspect of
the structure-property relationship for many fascinating
derivatives of graphene; various properties such as electronic
structure, magnetism, and chemical reactivity, as well as potential
applications in energy storage, catalysis, and nanoelectronics are
covered. The book also includes two chapters with significant
experimental portions, demonstrating how deep insights can be
obtained by joint experimental and theoretical efforts.

Topics covered include:

* Graphene ribbons: Edges, magnetism, preparation from unzipping,
and electronic transport

* Nanographenes: Properties, reactivity, and synthesis

* Clar sextet rule in nanographene and graphene nanoribbons

* Porous graphene, nanomeshes, and graphene-based architecture
and assemblies

* Doped graphene: Theory, synthesis, characterization and
applications

* Mechanisms of graphene growth in chemical vapor deposition

* Surface adsorption and functionalization of graphene

* Conversion between graphene and graphene oxide

* Applications in gas separation, hydrogen storage, and
catalysis

Graphene Chemistry: Theoretical Perspectives provides a
useful overview for computational and theoretical chemists who are
active in this field and those who have not studied graphene
before. It is also a valuable resource for experimentalist
scientists working on graphene and related materials, who will
benefit from many concepts and properties discussed here.