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Author: Juan Carlos Cuevas Publisher: World Scientific ISBN: 9814282588 Category : Science Languages : en Pages : 724
Book Description
This book provides a comprehensive overview of the rapidly developing field of molecular electronics. It focuses on our present understanding of the electrical conduction in single-molecule circuits and provides a thorough introduction to the experimental techniques and theoretical concepts. It will also constitute as the first textbook-like introduction to both the experiment and theory of electronic transport through single atoms and molecules. In this sense, this publication will prove invaluable to both researchers and students interested in the field of nanoelectronics and nanoscience in general. Molecular Electronics is self-contained and unified in its presentation. It may be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.
Author: Juan Carlos Cuevas Publisher: World Scientific ISBN: 9814282588 Category : Science Languages : en Pages : 724
Book Description
This book provides a comprehensive overview of the rapidly developing field of molecular electronics. It focuses on our present understanding of the electrical conduction in single-molecule circuits and provides a thorough introduction to the experimental techniques and theoretical concepts. It will also constitute as the first textbook-like introduction to both the experiment and theory of electronic transport through single atoms and molecules. In this sense, this publication will prove invaluable to both researchers and students interested in the field of nanoelectronics and nanoscience in general. Molecular Electronics is self-contained and unified in its presentation. It may be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.
Author: Trygve Helgaker Publisher: John Wiley & Sons ISBN: 1119019559 Category : Science Languages : en Pages : 949
Book Description
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Author: Daniel R. Gamota Publisher: Springer Science & Business Media ISBN: 1441990747 Category : Technology & Engineering Languages : en Pages : 712
Book Description
Printed Organic And Molecular Electronics was compiled to create a reference that included existing knowledge from the most renowned industry, academic, and government experts in the fields of organic semiconductor technology, graphic arts printing, micro-contact printing, and molecular electronics. It is divided into sections that consist of the most critical topics required for one to develop a strong understanding of the states of these technologies and the paths for taking them from R&D to the hands of consumers on a massive scale. As such, the book provides both theory as well as technology development results and trends.
Author: Michael C. Petty Publisher: John Wiley & Sons ISBN: 0470723882 Category : Technology & Engineering Languages : en Pages : 549
Book Description
This consistent and comprehensive text is unique in providing an informed insight into molecular electronics by contrasting the prospects for molecular scale electronics with the continuing development of the inorganic semiconductor industry. Providing a wealth of information on the subject from background material to possible applications, Molecular Electronics contains all the need to know information in one easily accessible place. Speculation about future developments has also been included to give the whole picture of this increasingly popular and important topic.
Author: Edgar A. Silinsh Publisher: Springer Science & Business Media ISBN: 3642814646 Category : Science Languages : en Pages : 404
Book Description
This book is based on the results of many years of experimental work by the author and his colleagues, dealing with the electronic properties of organic crystals. E. Silinsh has played a leading role in pOinting out the importance of the polarization energy by an excess carrier, in determining not only the character of the carrier mobility in organic crystals, but in determining the band gap and the nature of the all-important trapping site in these crystals. The one-electron model of electronic conductivity that has been so successful in dealing with inorganic semiconductors is singular ly unsuccessful in rationalizing the unusual physical properties of organic crystals. A many-body theory is required, and the experimental manifestation of this is the central role played by the crystal polarization enerqies in transferring the results obtained with the isolated molecule, to the solid. The careful studies of E. Silinsh in this field have shown tn detail how this polarization energy develops around the excess carrier (and also the hole-electron pair) sitting on a molecular site in the crystal. As with all insulators, trapping sites playa dominant role in reducing the magnitude of ~he current that can theoretically pass through the organic crystal. It is usually the case that these trapping sites are energetically distributed within the forbidden band of the crystal. For many years, an exponential distribution has shown itself to be useful and reasonably correct: However,' E.
Author: Daan Frenkel Publisher: Elsevier ISBN: 0080519989 Category : Science Languages : en Pages : 661
Book Description
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Author: James M Tour Publisher: World Scientific ISBN: 9814486701 Category : Science Languages : en Pages : 385
Book Description
This book presents an in-depth discussion on molecular electronics in an easy-to-understand manner, aiming at chemists, computer scientists, surface scientists, physicists, and applied mathematicians. Lighter overviews are provided for the science-minded layperson and the high tech entrepreneur in this nanoscale science. The author has included a detailed synthetic chemistry treasure chest, protocols of self-assembling routes for bottom-up fabrication atop silicon platforms, representative current-voltage and memory readouts from molecular devices, and overviews of present architectural and mathematical approaches to programming molecular computing machines. The investment and commercial insertion landscape is painted along with a “Who's Who” in the molecular electronics business space. Advice and forewarnings are provided in a practical yet witty manner for the aspiring academic corporate founder and the business CEO wannabe seeking to establish a high tech company while wading through the idiosyncratic morass of university personalities and university-owned intellectual property.
Author: Juan Carlos Cuevas
Author: Juan Carlos Cuevas
Author: Trygve Helgaker
Author: Daniel R. Gamota
Author: Michael C. Petty
Author: 
Author: Edgar A. Silinsh
Author: Defense Documentation Center (U.S.)
Author: Daan Frenkel
Author: James M Tour
Author: Richard M. Martin