Molecular and Nano Electronics Analysis Design and Simulation

Author: Jorge M. Seminario
Publisher: Elsevier
ISBN: 9780080465838
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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

Nanomaterials Design and Simulation

Author: Perla Balbuena
Publisher: Elsevier
ISBN: 9780080466835
Format: PDF, ePub
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Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally. * Provides an overview of approaches that have been developed for designing nano-structured or molecularly-structured materials. * This volume covers several aspects of the simulation and design of nanomaterials analyzed by a selected group of active researchers in the field. * Looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties

Theoretical Aspects of Chemical Reactivity

Author:
Publisher: Elsevier
ISBN: 9780080466781
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Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity. * Written by specialists in the field of chemical reactivity * An authoritative overview of the research and progress * An essential reference material for students

Nanotechnology for Electronics Photonics and Renewable Energy

Author: Anatoli Korkin
Publisher: Springer Science & Business Media
ISBN: 9781441974549
Format: PDF, Mobi
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Tutorial lectures given by world-renowned researchers have become one of the important traditions of the Nano and Giga Challenges (NGC) conference series. 1 Soon after preparations had begun for the rst forum, NGC2002, in Moscow, Russia, the organizers realized that publication of the lectures notes would be a va- able legacy of the meeting and a signi cant educational resource and knowledge base for students, young researchers, and senior experts. Our rst book was p- lished by Elsevier and received the same title as the meeting itself—Nano and Giga 2 Challenges in Microelectronics. Our second book, Nanotechnology for Electronic 3 4 Materials and Devices, based on the tutorial lectures at NGC2004 in Krakow, 5 Poland, the third book from NGC2007 in Phoenix, Arizona, and the current book 6 from joint NGC2009 and CSTC2009 meeting in Hamilton, Ontario, have been published in Springer’s Nanostructure Science and Technology series. Hosted by McMaster University, the meeting NGC/CSTC 2009 was held as a joint event of two conference series, Nano and Giga Challenges (Nano & Giga Forum) and Canadian Semiconductor Technology Conferences (CSTC), bringing together the networks and expertise of both professional forums. Informational (electronics and photonics), renewable energy (solar systems, fuel cells, and batteries), and sensor (nano and bio) technologies have reached a new stage in their development in terms of engineering limits to cost-effective impro- ment of current technological approaches. The latest miniaturization of electronic devices is approaching atomic dimensions.

Molecular Dynamics

Author: Perla Balbuena
Publisher: Elsevier
ISBN: 9780080536842
Format: PDF, Kindle
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The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.

Theoretical Organic Chemistry

Author: C. Párkányi
Publisher: Elsevier
ISBN: 9780080542720
Format: PDF, Kindle
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This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum chemistry, computational chemistry, and physical organic chemistry. The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties.

Introducing Molecular Electronics

Author: Gianaurelio Cuniberti
Publisher: Springer
ISBN: 9783540279945
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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.

Molecular Modeling and Theory in Chemical Engineering

Author: James Wei
Publisher: Elsevier
ISBN: 9780080488264
Format: PDF, ePub, Mobi
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In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.

Modern Density Functional Theory A Tool For Chemistry

Author: P. Politzer
Publisher: Elsevier
ISBN: 9780080536705
Format: PDF, Docs
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Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed. The book demonstrates that DFT is a practical solution to the problems standard ab initio methods have with chemical accuracy. The book is aimed at both the theoretical chemist and the experimentalist who want to relate their experiments to the governing theory. It will prove a useful and enduring reference work.