1st Edition

Quantum Chemistry of Nanotubes
Electronic Cylindrical Waves





  • Available for pre-order. Item will ship after March 31, 2021
ISBN 9780367779467
March 31, 2021 Forthcoming by CRC Press
236 Pages

USD $54.95

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Book 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

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Author(s)

Biography

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.