Del 21 - Theoretical and Computational Chemistry

Properties and Functionalization of Graphene

A Computational Chemistry Approach

Häftad, Engelska, 2022

Av Dinadayalane Tandabany, Frank Hagelberg, USA) Tandabany, Dinadayalane (Associate Professor, Clark Atlanta University, Atlanta, Georgia, USA) Hagelberg, Frank (Professor of Physics, East Tennessee State University, Johnson City, Tennessee

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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

Produktinformation

Utgivningsdatum2022-04-29
Mått191 x 235 x undefined mm
Vikt1 000 g
FormatHäftad
SpråkEngelska
SerieTheoretical and Computational Chemistry
Antal sidor400
FörlagElsevier Science
ISBN9780128195147

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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

1. Graphene-Based Devices for Nano-Spintronics2. Protein interaction with two-dimensional carbon materials3. Structures, Properties and Applications of Nitrogen Doped Graphene4. Reversible and Irreversible Functionalization of Graphene5. Molecule-Graphene Binding Energies from Molecular Mechanics6. Structural and Electronic Properties of Covalently Functionalized Graphene7. From Classical to Quantum Dynamics of Atomic and Ionic Species Interacting with Graphene and its Analogue8. From Ground to Excited Electronic State Dynamics of Electron and Ion Irradiated Graphene Nanomaterials9. Kinks in buckled graphene stressed and unstressed in the longitudinal direction10. Graphene - Technology and Integration with Semiconductor Electronics