Quantum Chemistry of Nanotubes

Electronic Cylindrical Waves
1. Auflage 2021
ISBN: 978-0-367-77946-7
Verlag: CRC Press

Buch, Englisch, 236 Seiten, Format (B × H): 156 mm x 234 mm, Gewicht: 348 g

This book gives a detailed and up-to-date overview of the linearized augmented cylindrical wave (LACW) technique for nanotubes and nanowires. The author presents the mathematical foundations together with numerous applications. Method for calculating the electronic structure of point impurities, which is based on a combination of the LACW and Green’s functions techniques, is presented. The book clearly demonstrates how the relativistic effects can be incorporated into LACW approach and how the spin-orbit coupling effects change the tubules band structure. Extensive illustrations of application to the inorganic nanotubes and nanowires make the book essential reading in this field above all.

Autoren/Hrsg.

D'Yachkov, Pavel N.

Fachgebiete

• Naturwissenschaften Chemie Chemie Allgemein
• Naturwissenschaften Biowissenschaften Biowissenschaften
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Maschinenbau Mechatronik, Mikrosysteme (MEMS), Nanosysteme
• Technische Wissenschaften Technik Allgemein Nanotechnologie

Inhaltsverzeichnis

TABLE OF CONTENTS

Augmented Cylindrical Waves for Nonchiral Nanotubes and Wires

Geometry of Carbon Nanotubes

Theory

Applications

Augmented Cylindrical Waves for Embedded and Double-Walled Nanotubes

Embedded Nanotubes

Double-Wall Carbon Nanotubes

Symmetrized Augmented Cylindrical Waves for Chiral Nanotubes

Theory

Application

Augmented Cylindrical Wave Green’s Function Technique for Impurities

Defects in nanotubes

Theory

Applications

Relativistic Augmented Cylindrical Wave Method

Spin-Orbit Interaction in Nanotubes

Theory

Applications

Appendix. Darwin and Mass-Velocity Corrections

References cited

Über Autor(innen)

Pavel N. D’yachkov was born in Saint Petersburg (the former Leningrad) in December 1947. He studied in the Chemistry Department of Moscow University and Leningrad State University. He graduated from the Quantum Chemistry Group founded by V. A. Fock. Presently, he is Professor of Physical Chemistry and leading investigator at Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow. His interests are the quantum chemistry of nanomaterials and coordination compounds and modeling of the toxic and carcinogenic effects of environmental pollutants. Author of several books including Heteroligand Molecules: Structure, Isomers, Transformations (Taylor and Francis, London and New York, 2002) written with his teacher Alexander A. Levin.