Limited Offer
Properties and Functionalization of Graphene
A Computational Chemistry Approach
- 1st Edition, Volume 21 - November 1, 2021
- Editors: Dinadayalane Tandabany, Frank Hagelberg
- Language: English
- Paperback ISBN:9 7 8 - 0 - 1 2 - 8 1 9 5 1 4 - 7
- eBook ISBN:9 7 8 - 0 - 1 2 - 8 1 9 5 5 9 - 8
- eBook ISBN:9 7 8 - 0 - 3 2 3 - 9 9 1 0 1 - 8
Properties and Functionalization of Graphene: Computational Chemistry Approaches, Volume 21 shows how computational chemistry can be used to explore molecular interacti… Read more
Purchase options
Institutional subscription on ScienceDirect
Request a sales quoteProperties 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
Computational, Theoretical and Materials chemists; Materials scientists; Electronic and Chemical Engineers; Biochemists; All those interested in Graphene across both industry and academia
- Cover image
- Title Page
- Table of Contents
- Copyright
- Contributors
- Preface
- References
- Chapter 1: Graphene—Technology and integration with semiconductor electronics
- Abstract
- 1: Introduction
- 2: Properties of graphene
- 3: Synthesis of graphene and fabrication technology
- 4: Bandgap engineering, G FET/GNR FET, and GNR interconnects
- 5: G/GNR-based inductor design for voltage-controlled oscillator
- 6: Conclusion
- Acknowledgments
- References
- Chapter 2: Kinks in buckled graphene uncompressed and compressed in the longitudinal direction
- Abstract
- 1: Introduction
- 2: Preliminaries
- 3: Kinks in longitudinally uncompressed graphene
- 4: Kinks in longitudinally compressed graphene
- 5: Conclusion and outlook
- Acknowledgments
- References
- Chapter 3: From classical to quantum dynamics of atomic and ionic species interacting with graphene and its analogue
- Abstract
- 1: Introduction
- 2: Theoretical methods
- 3: Simulations
- 4: Summary
- Acknowledgments
- References
- Chapter 4: From ground to excited electronic state dynamics of electron and ion irradiated graphene nanomaterials
- Abstract
- 1: Introduction
- 2: Theory
- 3: Simulations
- 4: Summary
- Acknowledgments
- References
- Chapter 5: Molecule-graphene and molecule-carbon surface binding energies from molecular mechanics
- Abstract
- 1: Introduction
- 2: Experimental
- 3: Theory
- 4: Analysis and results
- 5: Discussion
- 6: Conclusion
- Acknowledgment
- References
- Chapter 6: Structural and electronic properties of covalently functionalized graphene
- Abstract
- 1: Introduction
- 2: Nitrophenyl-functionalized graphene
- 3: Nitrogen-seeded twisted bilayer graphene
- 4: [2 + 2] Cycloaddition of graphene
- 5: Graphene oxide (GO)
- 6: Summary
- Acknowledgment
- References
- Chapter 7: Reversible and irreversible functionalization of graphene
- Abstract
- 1: Introduction
- 2: Overview of graphene, its analogues, and graphene-like substances
- 3: Reversible functionalization approaches
- 4: Irreversible functionalization approaches
- 5: Comparison of functionalization of graphene with its analogues
- 6: Outlook
- References
- Chapter 8: Interaction of amino acids, peptides, and proteins with two-dimensional carbon materials
- Abstract
- 1: Introduction
- 2: Computational simulation methods
- 3: Interaction of amino acids with 2D materials
- 4: Interaction of peptides with 2D materials
- 5: Interaction of proteins with 2D materials
- 6: Summary
- Acknowledgment
- References
- Chapter 9: Structures, properties, and applications of nitrogen-doped graphene
- Abstract
- 1: Introduction
- 2: Synthesis and characterization techniques
- 3: Computational studies on N-doped graphene
- 4: Applications of N-doped graphene
- 5: Summary
- Acknowledgments
- References
- Chapter 10: Toward graphene-based devices for nanospintronics
- Abstract
- 1: Introduction
- 2: Methods
- 3: Results and discussion
- 4: Summary and outlook
- References
- Index
- No. of pages: 400
- Language: English
- Edition: 1
- Volume: 21
- Published: November 1, 2021
- Imprint: Elsevier
- Paperback ISBN: 9780128195147
- eBook ISBN: 9780128195598
- eBook ISBN: 9780323991018
DT
Dinadayalane Tandabany
FH