Quantum Chemistry of Nanotubes: Electronic Cylindrical Waves, 1st Edition (Hardback) book cover

Quantum Chemistry of Nanotubes

Electronic Cylindrical Waves, 1st Edition

By Pavel N. D'yachkov

CRC Press

212 pages | 75 B/W Illus.

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Hardback: 9781138598874
pub: 2019-06-25
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Description

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.

Table of Contents

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

About the Author

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.

Subject Categories

BISAC Subject Codes/Headings:
SCI013000
SCIENCE / Chemistry / General
SCI086000
SCIENCE / Life Sciences / General
TEC021000
TECHNOLOGY & ENGINEERING / Material Science
TEC027000
TECHNOLOGY & ENGINEERING / Nanotechnology & MEMS