Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field

Download or read book Computational Modelling of Molecular Nanomagnets written by Gopalan Rajaraman and published by Springer Nature. This book was released on with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Introducing Molecular Electronics written by Gianaurelio Cuniberti and published by Springer. This book was released on 2006-05-21 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: Klaus von Klitzing Max-Planck-Institut fur ̈ Festk ̈ orperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany Already many Cassandras have prematurely announced the end of the silicon roadmap and yet, conventional semiconductor-based transistors have been continuously shrinking at a pace which has brought us to nowadays cheap and powerful microelectronics. However it is clear that the traditional scaling laws cannot be applied if unwanted tunnel phenomena or ballistic transport dominate the device properties. It is generally expected, that a combination of silicon CMOS devices with molecular structure will dominate the ?eld of nanoelectronics in 20 years. The visionary ideas of atomic- or molecular-scale electronics already date back thirty years but only recently advanced nanotechnology, including e.g. scanning tunneling methods and mechanically controllable break junctions, have enabled to make distinct progress in this direction. On the level of f- damentalresearch,stateofthearttechniquesallowtomanipulate,imageand probechargetransportthroughuni-molecularsystemsinanincreasinglyc- trolled way. Hence, molecular electronics is reaching a stage of trustable and reproducible experiments. This has lead to a variety of physical and chemical phenomena recently observed for charge currents owing through molecular junctions, posing new challenges to theory. As a result a still increasing n- ber of open questions determines the future agenda in this ?eld.

Download or read book Molecular and Nano Electronics Analysis Design and Simulation written by Jorge M. Seminario and published by Elsevier. This book was released on 2006-10-24 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of Molecular and Nano Electronics: Analysis, Design and Simulation is to draw together contributions from some of the most active researchers in this new field in order to illustrate a theory guided-approach to the design of molecular and nano-electronics. The field of molecular and nano-electronics has driven solutions for a post microelectronics era, where microelectronics dominate through the use of silicon as the preferred material and photo-lithography as the fabrication technique to build binary devices (transistors). The construction of such devices yields gates that are able to perform Boolean operations and can be combined with computational systems, capable of storing, processing, and transmitting digital signals encoded as electron currents and charges. Since the invention of the integrated circuits, microelectronics has reached increasing performances by decreasing strategically the size of its devices and systems, an approach known as scaling-down, which simultaneously allow the devices to operate at higher speeds.* Provides a theory-guided approach to the design of molecular and nano-electronics* Includes solutions for researchers working in this area* Contributions from some of the most active researchers in the field of nano-electronics

Download or read book Nano and Molecular Electronics Handbook written by Sergey Edward Lyshevski and published by CRC Press. This book was released on 2018-10-03 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: There are fundamental and technological limits of conventional microfabrication and microelectronics. Scaling down conventional devices and attempts to develop novel topologies and architectures will soon be ineffective or unachievable at the device and system levels to ensure desired performance. Forward-looking experts continue to search for new paradigms to carry the field beyond the age of microelectronics, and molecular electronics is one of the most promising candidates. The Nano and Molecular Electronics Handbook surveys the current state of this exciting, emerging field and looks toward future developments and opportunities. Molecular and Nano Electronics Explained Explore the fundamentals of device physics, synthesis, and design of molecular processing platforms and molecular integrated circuits within three-dimensional topologies, organizations, and architectures as well as bottom-up fabrication utilizing quantum effects and unique phenomena. Technology in Progress Stay current with the latest results and practical solutions realized for nanoscale and molecular electronics as well as biomolecular electronics and memories. Learn design concepts, device-level modeling, simulation methods, and fabrication technologies used for today's applications and beyond. Reports from the Front Lines of Research Expert innovators discuss the results of cutting-edge research and provide informed and insightful commentary on where this new paradigm will lead. The Nano and Molecular Electronics Handbook ranks among the most complete and authoritative guides to the past, present, and future of this revolutionary area of theory and technology.

Download or read book Electron And Ion Transfer In Condensed Media Theoretical Physics For Reaction Kinetics written by Alexei A Kornyshev and published by World Scientific. This book was released on 1997-07-15 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: An elementary act of charge transfer determines a variety of phenomena in physics, chemistry and biology. The study of charge transfer processes has developed together with general progress in theoretical physics and in fast high resolution spectroscopy, so that research deals now with a broad class of systems, materials and environmental conditions. The specific topics covered are: (1) the environment and reactant-environment interaction at bulk and interfaces; (2) the elementary act of electron and proton transfer; homogeneous and heterogeneous processes; (3) processes of ion and heavy group transfer; ion transport in complex systems; (4) artificially and naturally organized charge transfer in physics, chemistry and biology, technological applications (molecular electronics, sensors, modified electrodes, membrane transport).

Download or read book Organic Structures Design written by Tahsin J. Chow and published by CRC Press. This book was released on 2014-12-01 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of molecular electronics has become the mainstream of scientific research in recent decades. Applications include light-emitting diodes, solar cells, thin-film transistors, and sensors, among others. New-generation organic materials possess the virtues of softness, light weight, easy processing, design flexibility, and so on. This b

Download or read book Theoretical and Quantum Chemistry at the Dawn of the 21st Century written by Tanmoy Chakraborty and published by CRC Press. This book was released on 2018-06-19 with total page 635 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Download or read book Molecular Electronics An Introduction To Theory And Experiment 2nd Edition written by Elke Scheer and published by World Scientific. This book was released on 2017-05-19 with total page 846 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Electronics is self-contained and unified in its presentation. It can be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included in this new edition are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.

Download or read book Advances in Quantum Chemistry written by Erkki J. Brändas and published by Academic Press. This book was released on 2011-07-08 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area. Publishes articles, invited reviews and proceedings of major international conferences and workshops Written by leading international researchers in quantum and theoretical chemistry Highlights important interdisciplinary developments

Download or read book Handbook of Nanoscience Engineering and Technology written by William A. Goddard III and published by CRC Press. This book was released on 2007-05-03 with total page 1080 pages. Available in PDF, EPUB and Kindle. Book excerpt: The ability to study and manipulate matter at the nanoscale is the defining feature of 21st-century science. The first edition of the standard-setting Handbook of Nanoscience, Engineering, and Technology saw the field through its infancy. Reassembling the preeminent team of leading scientists and researchers from all areas of nanoscience and nanote

Download or read book Nanogap Electrodes written by Tao Li and published by John Wiley & Sons. This book was released on 2021-08-16 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unique in its scope, this book comprehensively combines various synthesis strategies with applications for nanogap electrodes. Clearly divided into four parts, the monograph begins with an introduction to molecular electronics and electron transport in molecular junctions, before moving on to a whole section devoted to synthesis and characterization. The third part looks at applications with single molecules or self-assembled monolayers, and the whole is rounded off with a section on interesting phenomena observed using molecular-based devices.

Download or read book Theory and Simulation Methods for Electronic and Phononic Transport in Thermoelectric Materials written by Neophytos Neophytou and published by Springer Nature. This book was released on 2020-03-16 with total page 97 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces readers to state-of-the-art theoretical and simulation techniques for determining transport in complex band structure materials and nanostructured-geometry materials, linking the techniques developed by the electronic transport community to the materials science community. Starting from the semi-classical Boltzmann Transport Equation method for complex band structure materials, then moving on to Monte Carlo and fully quantum mechanical models for nanostructured materials, the book addresses the theory and computational complexities of each method, as well as their advantages and capabilities. Presented in language that is accessible to junior computational scientists, while including enough detail and depth with regards to numerical implementation to tackle modern research problems, it offers a valuable resource for computational scientists and postgraduate researchers whose work involves the theory and simulation of electro-thermal transport in advanced materials.

Download or read book Organic Optoelectronics written by Wenping Hu and published by John Wiley & Sons. This book was released on 2012-11-05 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by internationally recognized experts in the field with academic as well as industrial experience, this book concisely yet systematically covers all aspects of the topic. The monograph focuses on the optoelectronic behavior of organic solids and their application in new optoelectronic devices. It covers organic field-effect and organic electroluminescent materials and devices, organic photonics, materials and devices, as well as organic solids in photo absorption and energy conversion. Much emphasis is laid on the preparation of functional materials and the fabrication of devices, from materials synthesis and purification, to physicochemical properties and the basic processes and working principles of the devices. The only book to cover fundamentals, applications, and the latest research results, this is a handy reference for both researchers and those new to the field. From the contents: * Electronic process in organic solids * Organic/polymeric semiconductors for field-effect transistors * Organic/polymeric field-effect transistors * Organic circuits and organic single molecular transistors * Polymer light-emitting Diodes (PLEDs): devices and materials * Organic solids for photonics * Organic photonic devices * Organic solar cells based on small molecules * Polymer solar cells * Dye-sensitized solar cells (DSSCs) * Organic thermoelectric power devices

Download or read book Theory of Semiconductor Quantum Devices written by Fausto Rossi and published by Springer Science & Business Media. This book was released on 2011-01-13 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: Primary goal of this book is to provide a cohesive description of the vast field of semiconductor quantum devices, with special emphasis on basic quantum-mechanical phenomena governing the electro-optical response of new-generation nanomaterials. The book will cover within a common language different types of optoelectronic nanodevices, including quantum-cascade laser sources and detectors, few-electron/exciton quantum devices, and semiconductor-based quantum logic gates. The distinguishing feature of the present volume is a unified microscopic treatment of quantum-transport and coherent-optics phenomena on ultrasmall space- and time-scales, as well as of their semiclassical counterparts.

Download or read book Discovering the Nanoscale written by Davis Baird and published by IOS Press. This book was released on 2004 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: 'I recommend this book to anyone interested in learning the history of nanoscale science, and to those who would like to better understand some of the ethical, legal and social dilemmas to what I believe has rightly been labeled the technology of the 21st century.' - Rocky Rawstern, Nanotechnology Now Science and engineering, industry and politics, environmentalists and transhumanists are Discovering the Nanoscale. Policy makers are demanding explicit consideration of ethical, legal and social aspects, and popular books are explaining the achievements and promises of nanoscience. It may therefore seem surprising that this is the first collection of studies that considers nanoscience and nanotechnologies from the critical perspective of Science and Technology Studies (STS). However, when one appreciates that such a critical perspective needs to be historically informed it often involves intimate acquaintance with the research process. Accordingly, this book on the historical, analytical, and ethical study of nanoscience and -technology has come together in a period of several years. Though it presents only first results, these results for the most part stem from sustained investigations of nanoscience and nanotechnologies and of the contexts that are shaping their development. Nanoscience and technologies are developing very quickly, and for this reason, both pose a challenge to the more reflective approach commonly taken by science studies, while at the same time requiring the perspective provided by science studies scholars. Many are convinced that nothing meaningful can be said about the social and ethical implications of nanotechnologies at this early stage, but one can already see what programmatic attitudes go into nanoscale research, what metaphors are shaping it, and what conception of nature is implicit in its vision. It is also often assumed that in order to consider all aspects of nanotechnologies it is sufficient to know a bit of the science and to have some ethical intuitions. This collection of papers establishes that one also needs to appreciate nanoscale research and development in the larger context of the changing relations of science, technology, and society.

Download or read book Physics of Organic Semiconductors written by Wolfgang Brütting and published by John Wiley & Sons. This book was released on 2012-10-02 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of organic electronics has seen a steady growth over the last 15 years. At the same time, our scientific understanding of how to achieve optimum device performance has grown, and this book gives an overview of our present-day knowledge of the physics behind organic semiconductor devices. Based on the very successful first edition, the editors have invited top scientists from the US, Japan, and Europe to include the developments from recent years, covering such fundamental issues as: - growth and characterization of thin films of organic semiconductors, - charge transport and photophysical properties of the materials as well as their electronic structure at interfaces, and - analysis and modeling of devices like organic light-emitting diodes or organic lasers. The result is an overview of the field for both readers with basic knowledge and for an application-oriented audience. It thus bridges the gap between textbook knowledge largely based on crystalline molecular solids and those books focusing more on device applications.