The 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.
Table of Contents
Common 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
Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes:
Computational ESMD Methodology
Results and Discussion
Svetlana Kilina received her BSc and MSc in physics from Belarus State University in 1996 and taught physics to both college and high school students in Belarus, including preparing gifted children to compete in the National Physics Olympics. She then spent three years at Chemnitz University of Technology in Germany as a research assistant studying transport properties of disordered interacting electrons. After coming to the United States in 2000, she was employed as a math and science tutor at the University of Oregon. From 2003, she has been pursuing a PhD in physical chemistry at the University of Washington. During her PhD studies, she has also had an opportunity to work as a graduate research assistant at the Los Alamos National Laboratory in New Mexico, getting internships for summer 2005 and spring/summer 2006 and 2007. Her research focuses on photoinduced electron-phonon dynamics in nanoscale systems, such as quantum dots, carbon nanotubes, conjugated polymers and DNA materials.
"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