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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 In addition, included are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.
A comprehensive overview of the physical mechanisms that control electron transport and the characteristics of metal-molecule-metal (MMM) junctions. As far as possible, methods and formalisms presented elsewhere to analyze electron transport through molecules are avoided. This title introduces basic concepts--a description of the electron transport through molecular junctions—and briefly describes relevant experimental methods. Theoretical methods commonly used to analyze the electron transport through molecules are presented. Various effects that manifest in the electron transport through MMMs, as well as the basics of density-functional theory and its applications to electronic structure calculations in molecules are presented. Nanoelectronic applications of molecular junctions and similar systems are discussed as well. Molecular electronics is a diverse and rapidly growing field. Transport Properties of Molecular Junctions presents an up-to-date survey of the field suitable for researchers and professionals.
This thesis describes improvements to and control of the electrical conductance in single-molecule junctions (SMJs), which have potential applications in molecular electronics, with a focus on the bonding between the metal and molecule. In order to improve the electrical conductance, the π orbital of the molecule is directly bonded to the metal orbital, because anchoring groups, which were typically used in other studies to bind molecule with metal electrodes, became resistive spacers. Using this direct π-binding, the author has successfully demonstrated highly conductive SMJs involving benzene, endohedral metallofullerene Ce@C82, and nitrogen. Subsequently, the author investigated control of the electrical conductance of SMJs using pyrazine. The nitrogen atom in the π-conjugated system of pyrazine was expected to function as an anchoring point, and two bonding states were expected. One originates primarily from the π orbital, while the other originates primarily from an n state of the nitrogen. Measurements of conductance and dI/dV spectra coupled with theoretical calculations revealed that the pyrazine SMJ has bistable conductance states, in which the pyrazine axis is either tilted or parallel with respect to the junction axis. The bistable states were switched by changing the gap size between the metal electrodes using an external force. Notably, it is difficult to change the electrical properties of bulk-state materials using mechanical force. The findings reveal that the electron transport properties of a SMJ can be controlled by designing a proper metal–molecule interface, which has considerable potential for molecular electronics. Moreover, this thesis will serve as a guideline for every step of SMJ research: design, fabrication, evaluation, and control.
Provides in-depth knowledge on molecular electronics and emphasizes the techniques for designing molecular junctions with controlled functionalities This comprehensive book covers the major advances with the most general applicability in the field of molecular electronic devices. It emphasizes new insights into the development of efficient platform methodologies for building such reliable devices with desired functionalities through the combination of programmed bottom-up self-assembly and sophisticated top-down device fabrication. It also helps to develop an understanding of the device fabrication processes and the characteristics of the resulting electrode-molecule interface. Beginning with an introduction to the subject, Molecular-Scale Electronics: Concept, Fabrication and Applications offers full chapter coverage on topics such as: Metal Electrodes for Molecular Electronics; Carbon Electrodes for Molecular Electronics; Other Electrodes for Molecular Electronics; Novel Phenomena in Single-Molecule Junctions; and Supramolecular Interactions in Single-Molecule Junctions. Other chapters discuss Theoretical Aspects for Electron Transport through Molecular Junctions; Characterization Techniques for Molecular Electronics; and Integrating Molecular Functionalities into Electrical Circuits. The book finishes with a summary of the primary challenges facing the field and offers an outlook at its future. * Summarizes a number of different approaches for forming molecular-scale junctions and discusses various experimental techniques for examining these nanoscale circuits in detail * Gives overview of characterization techniques and theoretical simulations for molecular electronics * Highlights the major contributions and new concepts of integrating molecular functionalities into electrical circuits * Provides a critical discussion of limitations and main challenges that still exist for the development of molecular electronics * Suited for readers studying or doing research in the broad fields of Nano/molecular electronics and other device-related fields Molecular-Scale Electronics is an excellent book for materials scientists, electrochemists, electronics engineers, physical chemists, polymer chemists, and solid-state chemists. It will also benefit physicists, semiconductor physicists, engineering scientists, and surface chemists.
Catalysts speed up a chemical reaction or allow for reactions to take place that would not otherwise occur. The chemical nature of a catalyst and its structure are crucial for interactions with reaction intermediates. An electrocatalyst is used in an electrochemical reaction, for example in a fuel cell to produce electricity. In this case, reaction rates are also dependent on the electrode potential and the structure of the electrical double-layer. This work provides a valuable overview of this rapidly developing field by focusing on the aspects that drive the research of today and tomorrow. Key topics are discussed by leading experts, making this book a must-have for many scientists of the field with backgrounds in different disciplines, including chemistry, physics, biochemistry, engineering as well as surface and materials science. This book is volume XIV in the series "Advances in Electrochemical Sciences and Engineering".
This book presents the conceptual framework underlying the atomistic theory of matter, emphasizing those aspects that relate to current flow. This includes some of the most advanced concepts of non-equilibrium quantum statistical mechanics. No prior acquaintance with quantum mechanics is assumed. Chapter 1 provides a description of quantum transport in elementary terms accessible to a beginner. The book then works its way from hydrogen to nanostructures, with extensive coverage of current flow. The final chapter summarizes the equations for quantum transport with illustrative examples showing how conductors evolve from the atomic to the ohmic regime as they get larger. Many numerical examples are used to provide concrete illustrations and the corresponding Matlab codes can be downloaded from the web. Videostreamed lectures, keyed to specific sections of the book, are also available through the web. This book is primarily aimed at senior and graduate students.
This work looks at thin films and self-assembled monolayers of thiols. It is aimed at researchers in chemistry, materials science, electrical engineering, biology and condensed matter physics.
Electron Transfer in Chemistry and Biology An Introduction to the Theory Alexander M. Kuznetsov Russian Academy of Sciences, Moscow, Russia Jens Ulstrup Technical University of Denmark, Lyngby, Denmark Electron transfer is perhaps the single most important physical event in chemical, electrochemical, photochemical, biochemical, and biophysical processes. The focus and ubiquity of electron transfer is intriguing and exciting but a coherent and comprehensive approach to this topic is at the same time a challenge. Electron Transfer in Chemistry and Biology provides a thorough and didactic approach to the theoretical basis of electron transfer phenomena. Not only does it offer a full introduction to this area and a discussion of its historical development, it also gives detailed explanations of difficult issues, for example, long-range electron transfers, stochastic and dynamic processes, and biological features. A wide variety of readers will find this volume of great interest, ranging from final year undergraduate students, postgraduate students and university lecturers, to research staff in numerous fields including medical companies, electronics industry, catalysis research and development, chemical industry and some hospitals.
In recent years there has been a huge increase in the research and development of nanoscale science and technology. Central to the understanding of the properties of nanoscale structures is the modeling of electronic conduction through these systems. This graduate textbook provides an in-depth description of the transport phenomena relevant to systems of nanoscale dimensions. In this textbook the different theoretical approaches are critically discussed, with emphasis on their basic assumptions and approximations. The book also covers information content in the measurement of currents, the role of initial conditions in establishing a steady state, and the modern use of density-functional theory. Topics are introduced by simple physical arguments, with particular attention to the non-equilibrium statistical nature of electrical conduction, and followed by a detailed formal derivation. This textbook is ideal for graduate students in physics, chemistry, and electrical engineering.
Advances in semiconductor technology have made possible the fabrication of structures whose dimensions are much smaller than the mean free path of an electron. This book gives a thorough account of the theory of electronic transport in such mesoscopic systems. After an initial chapter covering fundamental concepts, the transmission function formalism is presented, and used to describe three key topics in mesoscopic physics: the quantum Hall effect; localisation; and double-barrier tunnelling. Other sections include a discussion of optical analogies to mesoscopic phenomena, and the book concludes with a description of the non-equilibrium Green's function formalism and its relation to the transmission formalism. Complete with problems and solutions, the book will be of great interest to graduate students of mesoscopic physics and nanoelectronic device engineering, as well as to established researchers in these fields.