Properties and functionalization of graphene : a computational chemistry approach
Author(s)
Bibliographic Information
Properties and functionalization of graphene : a computational chemistry approach
（Theoretical and computational chemistry, 21）
Elsevier, c2022
- : pbk
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Note
Includes bibliographical references and index
Description and Table of Contents
Description
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.
Table of Contents
1. Graphene-Based Devices for Nano-Spintronics 2. Protein interaction with two-dimensional carbon materials 3. Structures, Properties and Applications of Nitrogen Doped Graphene 4. Reversible and Irreversible Functionalization of Graphene 5. Molecule-Graphene Binding Energies from Molecular Mechanics 6. Structural and Electronic Properties of Covalently Functionalized Graphene 7. From Classical to Quantum Dynamics of Atomic and Ionic Species Interacting with Graphene and its Analogue 8. From Ground to Excited Electronic State Dynamics of Electron and Ion Irradiated Graphene Nanomaterials 9. Kinks in buckled graphene stressed and unstressed in the longitudinal direction 10. Graphene - Technology and Integration with Semiconductor Electronics
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