Properties and Functionalization of Graphene: A Computational Chemistry Approach (Volume 21) (Theoretical and Computational Chemistry, Volume 21) - Softcover

Softcover

ISBN 10: 0128195142 ISBN 13: 9780128195147

Publisher: Elsevier, 2022

Synopsis

Properties and Functionalization of Graphene: Computational Chemistry Approaches, Volume 21 shows how computational chemistry can be used to explore molecular interactions when modeling and manipulating graphene's properties for varied applications. Sections compare results and experimental evidence, cover the experimental techniques employed in the functionalization of graphene and associated challenges, and delve into the properties of functionalized graphene. Under the guidance of its expert editor, this book shares insights from 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.

• Provides practical insights into the latest computational approaches used in modeling the properties of functionalized graphene
• Includes detailed methods and step-by-step guidance on key processes that are supported throughout with examples
• Highlights the electronic properties of functionalized graphene

About this title

About the Authors

Dinadayalane Tandabany has been Associate Professor of Chemistry at Clark Atlanta University, USA, since 2014. After being awarded his Ph.D in Chemistry from Pondicherry University, India, he took up a research position at Jackson State University, USA, where he conducted high performance computational investigations of structures, reactivities, electronic, transport and mechanical properties of carbon based nanomaterials, and taught a number of classes in general and computational chemistry prior to taking up his current role.

He has co-authored over 70 papers and 8 book chapters, has been awarded a number of awards for his work, and has presented talks at numerous conferences. In addition, he actively works to help increase the number of underrepresented undergraduate and graduate students in computational chemistry and nanoscience research.

Frank Hagelberg has been Professor of Physics in the Department of Physics and Astronomy at East Tennessee State University since 2013, where his research focuses on computational materials science. After completing his PhD in physics at the University of Bonn, Germany, he went on to positions at the University of Munich, State University of New York and Jackson State University before joining East Tennessee State University in 2007.

He is a member of the American Physical Society, a reviewer for numerous international journals, is a regular contributor to both national and international conferences, has written 2 books and well over 100 peer-reviewed research papers

From the Back Cover

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 researcher's 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.

Edition details

• Publisher: Elsevier
• Publication date: 2022
• ISBN 10: 0128195142
• ISBN 13: 9780128195147
• Binding: Paperback
• Language: English
• Number of pages: 400
• Editor: Tandabany Dinadayalane, Hagelberg Frank