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Semiconductor quantum dots (QDs) and single-walled carbon nanotubes (SWCNTs) are two examples of low-dimensional nanomaterials. This book investigates QDs and SWCNTs using quantum-chemical calculations that describe details of excited state phenomena, and provides information about the mechanisms that occur on the atomic level. Rapid advances in chemical synthesis and fabrication techniques have led to novel nano-sized materials that exhibit original and often unforeseen properties. One of the greatest advantages of these nano-systems is that their electronic and optical properties can be controlled, not only by the material's inherent features, but also by the sample's size, shape, and topology. This flexibility makes them ideal for applications in several fields, ranging from electronics and optelectronics to biology and medicine. However, in order to design nanoelectronic devices, a clear understanding of their fundamental properties is needed.
Research in adsorption of gases by carbon nanomaterials has experienced considerable growth in recent years, with increasing interest for practical applications. Many research groups are now producing or using such materials for gas adsorption, storage, purification, and sensing. This book provides a selected overview of some of the most interesting scientific results regarding the outstanding properties of carbon nanomaterials for gas adsorption and of interest both for basic research and technological applications. Topics receiving special attention in this book include storage of H, purification of H, storage of rare gases, adsorption of organic vapors, gas trapping and separation, and metrology of gas adsorption.
Proceedings of the NATO Advanced Study Institute on Carbon Nanotubes: From Basic Research to Nanotechnology, Sozopol, Bulgaria, 21-31 May 2005
More energy from the sun strikes Earth in an hour than is consumed by humans in an entire year. Efficiently harnessing solar power for sustainable generation of hydrogen requires low-cost, purpose-built, functional materials combined with inexpensive large-scale manufacturing methods. These issues are comprehensively addressed in On Solar Hydrogen & Nanotechnology – an authoritative, interdisciplinary source of fundamental and applied knowledge in all areas related to solar hydrogen. Written by leading experts, the book emphasizes state-of-the-art materials and characterization techniques as well as the impact of nanotechnology on this cutting edge field. Addresses the current status and prospects of solar hydrogen, including major achievements, performance benchmarks, technological limitations, and crucial remaining challenges Covers the latest advances in fundamental understanding and development in photocatalytic reactions, semiconductor nanostructures and heterostructures, quantum confinement effects, device fabrication, modeling, simulation, and characterization techniques as they pertain to solar generation of hydrogen Assesses and establishes the present and future role of solar hydrogen in the hydrogen economy Contains numerous graphics to illustrate concepts, techniques, and research results On Solar Hydrogen & Nanotechnology is an essential reference for materials scientists, physical and inorganic chemists, electrochemists, physicists, and engineers carrying out research on solar energy, photocatalysis, or semiconducting nanomaterials, both in academia and industry. It is also an invaluable resource for graduate students and postdoctoral researchers as well as business professionals and consultants with an interest in renewable energy.
The goal of this Volume "Conceptual Foundations of Materials: A standard model for ground- and excited-state properties" is to present the fundamentals of electronic structure theory that are central to the understanding and prediction of materials phenomena and properties. The emphasis is on foundations and concepts. The Sections are designed to offer a broad and comprehensive perspective of the field. They cover the basic aspects of modern electronic structure approaches and highlight their applications to the structural (ground state, vibrational, dynamic and thermodynamic, etc.) and electronic (spectroscopic, dielectric, magnetic, transport, etc.) properties of real materials including solids, clusters, liquids, and nanostructure materials. This framework also forms a basis for studies of emergent properties arising from low-energy electron correlations and interactions such as the quantum Hall effects, superconductivity, and other cooperative phenomena. Although some of the basics and models for solids were developed in the early part of the last century by figures such as Bloch, Pauli, Fermi, and Slater, the field of electronic structure theory went through a phenomenal growth during the past two decades, leading to new concepts, understandings, and predictive capabilities for determining the ground- and excited-state properties of real, complex materials from first principles. For example, theory can now be used to predict the existence and properties of materials not previously realized in nature or in the laboratory. Computer experiments can be performed to examine the behavior of individual atoms in a particular process, to analyze the importance of different mechanisms, or just to see what happen if one varies the interactions and parameters in the simulation. Also, with ab initio calculations, one can determine from first principles important interaction parameters which are needed in model studies of complex processes or highly correlated systems. Each time a new material or a novel form of a material is discovered, electronic structure theory inevitably plays a fundamental role in unraveling its properties. Provides the foundations of the field of condensed matter physics An excellent supplementary text for classes on condensed matter physics/solid state physics Volume covers current work at the forefront Presentations are accessible to nonspecialists, with focus on underlying fundamentals
As electric devices become smaller and smaller, transport simulations based on the quantum mechanics become more and more important. There are currently numerous textbooks on the basic concepts of quantum transport, but few present calculation methods in detail. This book provides various quantum transport simulation methods and shows applications for transport properties of nanometer-scale systems. It starts with a short review of quantum transport, followed by various calculation methods based on scattering approaches, non-equilibrium Green’s function (NEGF), master equation, and time-dependent wave-packet diffusion (TD-WPD). With these tools, transport properties of various nanosystems are then explored.

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