Liudmila Pozhar
Virtual Synthesis of Nanosystems by Design
From First Principles to Applications
Gebonden Engels 2015 9780123969842
Verwachte levertijd ongeveer 9 werkdagen
Samenvatting
This is the only book on a novel fundamental method that uses quantum many body theoretical approach to synthesis of nanomaterials by design. This approach allows the first-principle prediction of transport properties of strongly spatially non-uniform systems, such as small QDs and molecules, where currently used DFT-based methods either fail, or have to use empirical parameters. The book discusses modified algorithms that allow mimicking experimental synthesis of novel nanomaterials---to compare the results with the theoretical predictions--and provides already developed electronic templates of sub-nanoscale systems and molecules that can be used as components of larger materials/fluidic systems.
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Inhoudsopgave
Part 1. QUANTUM STATISTICAL MECHANICS FUNDAMENTALSCHAPTER 1. Transport Properties of Spatially Inhomogeneous Quantum Systems from the First PrinciplesCHAPTER 2. Quantum Properties of Small Systems at Equilibrium: The First Principle CalculationsCHAPTER 3. Small Quantum Dots of Traditional III-V Semiconductor CompoundsPart 2. APPLICATIONS: CHARGE AND SPIN TRANSPORT IN MOLECULES, SMALL QDS AND QWSCHAPTER 4. Small Quantum Dots Of Gallium and Indium Arsenide Phosphides: Opto-electronic Properties, Spin Polarization and A Composition Effect Of Quantum ConfinementCHAPTER 5. Small Quantum Dots of Diluted Magnetic III-V Semiconductor CompoundsCHAPTER 6. Small Quantum Dots of Indium NitridesCHAPTER 7. Nickel Oxide Quantum Dots and Nanopolymer Quantam WiresCHAPTER 8. Small Quantum Dots Of Indium Nitrides with Special Magneto-optic PropertiesAPPENDIX. Examples of Virtual Templates of Small Quantum Dots and Wires of Semiconductor Compound Elements
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