Description
Book SynopsisThe book investigates QDs and SWCNTs using quantum-chemical calculations that describe intricate details of excited-state phenomena and provides information about the mechanisms that occur on the atomic level and that are extremely difficult, if not impossible, to probe experimentally. It delivers, consistently and coherently, a novel approach to nanomaterials which is promising for today's technologies as well as their future. This approach elegantly overcomes computational difficulties known in the field and shares ways to reach top performance in the description of combined quantum effects of molecular vibrations and exciton formation on realistic-size numerical models. The reader will acquire an understanding of the pioneering methodology supported by most recent original results, prospectively applicable to the design of new nano-devices.
Trade Review"This book brings a wonderful collection of works in the area of quantum chemistry calculations devoted to the optical properties of quantum dots and carbon nanotubes. Optics is one of the most promising fields for the understanding of both materials science and innovations in nanotechnology. Kilina's book illustrates the great scientific development made possible by nanoscience."
—Prof. Ado Jorio de Vasconcelos, Universidade Federal de Minas Gerais, Brazil
Table of ContentsCommon Features of Low-Dimensional Nanomaterials. Intriguing Phenomena in Quantum Dots and Potential Applications. Advantages and Challenges of Technological Applications of Carbon Nanotubes. Excitonic Character and Numerical Approaches to QDs and SWCNTs. Electronic Structure and Phonon-Induced Carrier Relaxation in CdSe and PbSe Quantum Dots: Carrier Dynamics in Quantum Dots. Trajectory Surface Hopping in the Density Functional Theory
Results and Discussion. Conclusions. Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes: Introduction. Computational ESMD Methodology. Results and Discussion. Conclusions.
