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First Principles Study Of Transport Properties Of Molecular Devices
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Book Synopsis First-principles Study of Transport Properties of Molecular Devices by : Yi Liu
Download or read book First-principles Study of Transport Properties of Molecular Devices written by Yi Liu and published by . This book was released on 2004 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: "We begin with charge transport in carbon nanotubes with oxygen, and find that the interaction between oxygen molecules and carbon nanotubes significantly modifies the electronic structure near the Fermi level for both zigzag and armchair tubes. The subtle difference of the adsorption sites of oxygen and the distance between oxygen and nanotubes can cause totally different results of their transport properties." --
Book Synopsis First Principles Transport Study of Molecular Device by : Lei Zhang
Download or read book First Principles Transport Study of Molecular Device written by Lei Zhang and published by . This book was released on 2017-01-26 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation, "First Principles Transport Study of Molecular Device" by Lei, Zhang, 张磊, was obtained from The University of Hong Kong (Pokfulam, Hong Kong) and is being sold pursuant to Creative Commons: Attribution 3.0 Hong Kong License. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation. All rights not granted by the above license are retained by the author. Abstract: This thesis discusses DC and AC transport properties of molecular devices from first principles. For dc bias, based on the non-equilibrium Green's function (NEGF) technique coupled with the density functional theory (DFT), the dc current density distribution of a molecular device Al-C60-Al is numerically investigated from first principles. Due to the presence of non-local pseudo-potential, the conventional definition of current density is not suitable to describe the correct current density profile inside the molecular device. By using the new definition of current density which includes the contribution due to the nonlocal potential, our numerical results show that the new definition of current density J(r) conserves the current. In addition, the current obtained from the current density calculated inside the molecular device equals to that calculated from the Landauer-Buttiker formula. When the external bias is time dependent, a theoretical formalism to study the time dependent transport behavior of molecular device from first principles is proposed based on the non-equilibrium Green's function (NEGF) and time dependent density functional theory (TDDFT). For the purpose of numerical implementation on molecular devices, a computational tractable numerical scheme is discussed in detail. The transient current of two molecular devices Al-1,4-dimethylbenzene-Al and Al-Benenze-Al are numerically studied from first principles. To overcome the computational complexity due to the memory term, a fast algorithm has been employed to speed up the calculation and CPU time has been reduced from the scaling N DEGREES3to N DEGREES2 log(_2 DEGREES2)(N) for the step like pulse, where N is the number of time step in the time evolution of Green's function. DOI: 10.5353/th_b5089955 Subjects: Molecular electronics
Book Synopsis Handbook of Emerging Materials for Semiconductor Industry by : Young Suh Song
Download or read book Handbook of Emerging Materials for Semiconductor Industry written by Young Suh Song and published by Springer Nature. This book was released on with total page 930 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis First-principles Calculations In Real-space Formalism: Electronic Configurations And Transport Properties Of Nanostructures by : Kikuji Hirose
Download or read book First-principles Calculations In Real-space Formalism: Electronic Configurations And Transport Properties Of Nanostructures written by Kikuji Hirose and published by World Scientific. This book was released on 2005-01-19 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: With cutting-edge materials and minute electronic devices being produced by the latest nanoscale fabrication technology, it is essential for scientists and engineers to rely on first-principles (ab initio) calculation methods to fully understand the electronic configurations and transport properties of nanostructures. It is now imperative to introduce practical and tractable calculation methods that accurately describe the physics in nanostructures suspended between electrodes.This timely volume addresses novel methods for calculating electronic transport properties using real-space formalisms free from geometrical restrictions. The book comprises two parts: The first details the basic formalism of the real-space finite-difference method and its applications. This provides the theoretical foundation for the second part of the book, which presents the methods for calculating the properties of electronic transport through nanostructures sandwiched by semi-infinite electrodes./a
Book Synopsis First Principles Quantitative Modeling of Molecular Devices by : Zhanyu Ning
Download or read book First Principles Quantitative Modeling of Molecular Devices written by Zhanyu Ning and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Handbook of Nanoscience, Engineering, and Technology by : William A. Goddard III
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 2002-10-29 with total page 819 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanotechnology, science, and engineering spearhead the 21st century revolution that is leading to fundamental breakthroughs in the way materials, devices, and systems are understood, designed, made, and used. With contributions from a host of world-class experts and pioneers in the field, this handbook sets forth the fundamentals of nanoelectromech
Book Synopsis Transport Properties of Molecular Junctions by : Natalya A. Zimbovskaya
Download or read book Transport Properties of Molecular Junctions written by Natalya A. Zimbovskaya and published by Springer. This book was released on 2013-09-07 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis First Principles Transport Study of Molecular Device by : Lei Zhang (Ph. D.)
Download or read book First Principles Transport Study of Molecular Device written by Lei Zhang (Ph. D.) and published by . This book was released on 2012 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Annual Review of Nano Research by : Guozhong Cao
Download or read book Annual Review of Nano Research written by Guozhong Cao and published by World Scientific. This book was released on 2006 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first volume in an exciting new series, Annual Review of Nano Research, this formidable collection of review articles sees renowned contributors from eight different countries tackle the most recent advances in nanofabrication, nanomaterials and nanostructures.The broad coverage of topics in nanotechnology and nanoscience also includes a special focus on the hot topic of biomedical applications of nanomaterials. The important names contributing to the volume include: M R Bockstaller (USA), L Duclaux (France), S Forster (Germany), W Fritzsche (Germany), L Jiang (China), C Lopez (Spain), W J Parak (Germany), B Samori (Italy), U S Schubert (The Netherlands), S Shinkai (Japan), A Stein (USA), S M Hou (China), and Y N Xia (USA).The volume serves both as a handy reference for experts active in the field and as an excellent introduction to scientists whose expertise lies elsewhere but who are interested in learning about this cutting-edge research area.
Book Synopsis Annual Review Of Nano Research, Volume 1 by : Guozhong Cao
Download or read book Annual Review Of Nano Research, Volume 1 written by Guozhong Cao and published by World Scientific. This book was released on 2006-12-28 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first volume in an exciting new series, Annual Review of Nano Research, this formidable collection of review articles sees renowned contributors from eight different countries tackle the most recent advances in nanofabrication, nanomaterials and nanostructures.The broad coverage of topics in nanotechnology and nanoscience also includes a special focus on the hot topic of biomedical applications of nanomaterials. The important names contributing to the volume include: M R Bockstaller (USA), L Duclaux (France), S Forster (Germany), W Fritzsche (Germany), L Jiang (China), C Lopez (Spain), W J Parak (Germany), B Samori (Italy), U S Schubert (The Netherlands), S Shinkai (Japan), A Stein (USA), S M Hou (China), and Y N Xia (USA).The volume serves both as a handy reference for experts active in the field and as an excellent introduction to scientists whose expertise lies elsewhere but who are interested in learning about this cutting-edge research area.
Book Synopsis Nano and Molecular Electronics Handbook by : Sergey Edward Lyshevski
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.
Book Synopsis Organic Optoelectronics by : Wenping Hu
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 ZnO Nanostructures written by Yue Zhang and published by Royal Society of Chemistry. This book was released on 2017-06-21 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: As wide band semiconductors with rich morphologies and interesting electric, optical, mechanical and piezoelectric properties, ZnO nanostructures have great potential in applications, such as strain sensors, UV detectors, blue LED, nano generators, and biosensors. ZnO Nanostructures: Fabrication and Applications covers the controllable synthesis and property optimization of ZnO nanostructures through to the preparation and performance of nanodevices for various applications. The book also includes recent progress in property modulation of ZnO nanomaterials and new types of devices as well as the latest research on self-powered devices and performance modulation of ZnO nanodevices by multi-field coupled effects. Authored by a leading researcher working within the field, this volume is applicable for those working in nanostructure fabrication and device application in industry and academia and is appropriate from advanced undergraduate level upwards.
Book Synopsis Proceedings of the Second International Conference on Emerging Trends in Engineering (ICETE 2023) by : Bhiksha Raj
Download or read book Proceedings of the Second International Conference on Emerging Trends in Engineering (ICETE 2023) written by Bhiksha Raj and published by Springer Nature. This book was released on 2023-11-09 with total page 1408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an open access book. The 2nd International Conference on Emerging Trends in Engineering (ICETE 2023) will be held in-person from April 28-30, 2023 at University College of Engineering, Osmania University, Hyderabad, India. Since its inception in 2019, The International Conference on Emerging Trends in Engineering (ICETE) has established to enhance the information exchange of theoretical research and practical advancements at national and international levels in the fields of Bio-Medical, Civil, Computer Science, Electrical, Electronics & Communication Engineering, Mechanical and Mining Engineering. This encourages and promotes professional interaction among students, scholars, researchers, educators, professionals from industries and other groups to share latest findings in their respective fields towards sustainable developments. ICETE 2023 promises to be an exciting and innovative event with keynote and invited talks, oral and poster presentations. We invite you to submit your latest research work to ICETE 2023 and look forward to welcoming you in-person to University College of Engineering, Osmania University, Hyderabad, India. We are closely monitoring the COVID-19 situation. We will be taking all necessary precautions and adhere to the COVID-19 guidelines issued by the Government of Telangana & Osmania University, India.
Book Synopsis Issues in Chemistry and General Chemical Research: 2011 Edition by :
Download or read book Issues in Chemistry and General Chemical Research: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 10508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Chemistry and General Chemical Research: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Chemistry and General Chemical Research. The editors have built Issues in Chemistry and General Chemical Research: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemistry and General Chemical Research in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Book Synopsis Energy Materials and Devices by : Ambesh Dixit
Download or read book Energy Materials and Devices written by Ambesh Dixit and published by Springer Nature. This book was released on with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Spintronics Handbook, Second Edition: Spin Transport and Magnetism by : Evgeny Y. Tsymbal
Download or read book Spintronics Handbook, Second Edition: Spin Transport and Magnetism written by Evgeny Y. Tsymbal and published by CRC Press. This book was released on 2019-06-26 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spintronics Handbook, Second Edition offers an update on the single most comprehensive survey of the two intertwined fields of spintronics and magnetism, covering the diverse array of materials and structures, including silicon, organic semiconductors, carbon nanotubes, graphene, and engineered nanostructures. It focuses on seminal pioneering work, together with the latest in cutting-edge advances, notably extended discussion of two-dimensional materials beyond graphene, topological insulators, skyrmions, and molecular spintronics. The main sections cover physical phenomena, spin-dependent tunneling, control of spin and magnetism in semiconductors, and spin-based applications. Features: Presents the most comprehensive reference text for the overlapping fields of spintronics (spin transport) and magnetism. Covers the full spectrum of materials and structures, from silicon and organic semiconductors to carbon nanotubes, graphene, and engineered nanostructures. Extends coverage of two-dimensional materials beyond graphene, including molybdenum disulfide and study of their spin relaxation mechanisms Includes new dedicated chapters on cutting-edge topics such as spin-orbit torques, topological insulators, half metals, complex oxide materials and skyrmions. Discusses important emerging areas of spintronics with superconductors, spin-wave spintronics, benchmarking of spintronics devices, and theory and experimental approaches to molecular spintronics. Evgeny Tsymbal's research is focused on computational materials science aiming at the understanding of fundamental properties of advanced ferromagnetic and ferroelectric nanostructures and materials relevant to nanoelectronics and spintronics. He is a George Holmes University Distinguished Professor at the Department of Physics and Astronomy of the University of Nebraska-Lincoln (UNL), Director of the UNL’s Materials Research Science and Engineering Center (MRSEC), and Director of the multi-institutional Center for NanoFerroic Devices (CNFD). Igor Žutić received his Ph.D. in theoretical physics at the University of Minnesota. His work spans a range of topics from high-temperature superconductors and ferromagnetism that can get stronger as the temperature is increased, to prediction of various spin-based devices. He is a recipient of 2006 National Science Foundation CAREER Award, 2005 National Research Council/American Society for Engineering Education Postdoctoral Research Award, and the National Research Council Fellowship (2003-2005). His research is supported by the National Science Foundation, the Office of Naval Research, the Department of Energy, and the Airforce Office of Scientific Research.
