Properties and Functionalization of Graphene, Volume 21: A Computational Chemistry Approach

There has been rapid development in graphene research in recent years due to its outstanding properties and breadth of potential fields it can be applied in, making tools which provide an insight into the properties of functionalized graphene of increasing importance. Properties and Functionalization of Graphene: Computational Chemistry Approaches highlights how computational chemistry can be used to explore the molecular interactions at play in this material, helping researchers model, understand and manipulate the properties of graphene for varied applications.

In addition to highlighting current approaches to computational analysis, chapters also discuss the comparison of results and experimental evidence, experimental techniques employed in the functionalization of graphene and challenges associated with these, and the properties of functionalized graphene.

Under the guidance of its expert editor, Properties and Functionalization of Graphene: Computational Chemistry Approaches shares the insights of a global team of specialists, making it an authoritative, practical guide for all those studying, developing or applying graphene across a whole range of fields.