Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Monte Carlo Simulations Of Charge Transport In Organic Semiconductors
Download Monte Carlo Simulations Of Charge Transport In Organic Semiconductors full books in PDF, epub, and Kindle. Read online Monte Carlo Simulations Of Charge Transport In Organic Semiconductors ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Monte Carlo Simulations of Charge Transport in Organic Semiconductors by : Pyie Phyo Aung
Download or read book Monte Carlo Simulations of Charge Transport in Organic Semiconductors written by Pyie Phyo Aung and published by . This book was released on 2014 with total page 50 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thin film organic semiconductors have applications in electronic devices such as transistors, light emitting diodes, and organic solar cells. The performance of such devices depends on the mobility of the charge carriers which is strongly affected by the morphology of the material. In this work, we perform Monte Carlo simulations to study charge transport in lattice models of homogeneous and heterogeneous materials. The model device consists of a layer of the material between two electrodes at different potentials. Charge carriers are injected from the electrodes and move by hopping under the influence of the electric field and Coulomb interactions. To model the effect of polymer chain connectivity on charge transport we include an energetic barrier to hopping between sites on different chains. We measure current-voltage (I-V) characteristics of model devices and determine the mobility of the charge carriers from the slope of the I-V curves in the ohmic regime. We validate our algorithms with simulations of simple devices consisting of two parallel layers of donor and acceptor materials between the electrodes. To study the effect of ordered domains in polymeric semiconductors we simulate charge transport in a recently developed lattice model for polymers that undergo an order-disorder transition. We find that ordering in the material leads to strong anisotropies with increased mobility for transport parallel to the ordered domains and reduced mobility for perpendicular transport.
Book Synopsis First Principles Monte Carlo Simulation of Charge Transport in Semiconductors by : Paul Douglas Yoder
Download or read book First Principles Monte Carlo Simulation of Charge Transport in Semiconductors written by Paul Douglas Yoder and published by . This book was released on 1994 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new multiscale method is presented for modeling charge transport across a semi-conductor heterointerface. It has the advantage of increase predictive power due to its treatment of the detailed mixing between Bloch and Tamm electronic states in the interface region; this is of critical importance when a transmission or reflection is accompanied by large changes in perpendicular wavevector, and in the presence of multiple transmission and reflection channels. The electron-phonon interaction is then examined in bulk silicon within the local density functional formalism. Intravalley and intervalley deformation potentials are calculated for a variety of transitions, and the model is compared with available data from both experimental and alternative calculation methods. The formalism developed in this thesis for the calculation of electron-phonon interaction strength is then applied to the calculation of matrix elements for an exhaustive set of transitions throughout the entire Brillouin zone and over a wide range of energies, taking into account the details of each phonon mode. These matrix elements are then incorporated into a unique Monte Carlo charge transport simulator with which transport statistics are calculated. Finally, a new method is presented for the calculation of spectral functions in crystalline solids.
Book Synopsis Charge Dynamics in Organic Semiconductors by : Pascal Kordt
Download or read book Charge Dynamics in Organic Semiconductors written by Pascal Kordt and published by Walter de Gruyter GmbH & Co KG. This book was released on 2016-09-12 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of organic semiconductors researchers and manufacturers are faced with a wide range of potential molecules. This work presents concepts for simulation-based predictions of material characteristics starting from chemical stuctures. The focus lies on charge transport – be it in microscopic models of amorphous morphologies, lattice models or large-scale device models. An extensive introductory review, which also includes experimental techniques, makes this work interesting for a broad readership. Contents: Organic Semiconductor Devices Experimental Techniques Charge Dynamics at Dierent Scales Computational Methods Energetics and Dispersive Transport Correlated Energetic Landscapes Microscopic, Stochastic and Device Simulations Parametrization of Lattice Models Drift–Diusion with Microscopic Link
Book Synopsis Simulations of Charge Transport in Organic Compounds by : Thorsten Vehoff
Download or read book Simulations of Charge Transport in Organic Compounds written by Thorsten Vehoff and published by Sudwestdeutscher Verlag Fur Hochschulschriften AG. This book was released on 2010 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: To aid the design of organic semiconductors, we study the charge transport properties of organic liquid crystals and single crystals. The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus realistic transfer integral distributions and their autocorrelations are obtained. In case of organic crystals two descriptions of charge transport, namely semi-classical dynamics (SCD) and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. In KMC one assumes that the wave function is localized on one molecule, while in SCD it is spread over a limited number of neighboring molecules. The results are compared amongst each other and, where available, with experimental data.
Book Synopsis The Monte Carlo Method for Semiconductor Device Simulation by : Carlo Jacoboni
Download or read book The Monte Carlo Method for Semiconductor Device Simulation written by Carlo Jacoboni and published by Springer Science & Business Media. This book was released on 1989-10-30 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents the application of the Monte Carlo method to the simulation of semiconductor devices, reviewing the physics of transport in semiconductors, followed by an introduction to the physics of semiconductor devices.
Book Synopsis The Monte Carlo Method for Semiconductor Device Simulation by : Carlo Jacoboni
Download or read book The Monte Carlo Method for Semiconductor Device Simulation written by Carlo Jacoboni and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents the application of the Monte Carlo method to the simulation of semiconductor devices, reviewing the physics of transport in semiconductors, followed by an introduction to the physics of semiconductor devices.
Book Synopsis Simulations of Charge Transport in Organic Compounds by :
Download or read book Simulations of Charge Transport in Organic Compounds written by and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: To aid the design of organic semiconductors, we study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The results are compared for the different compounds and methods and, where available, with experimental data. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. When taking only intra-columnar transport into account, t.
Book Synopsis An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions by : A.P.J. Jansen
Download or read book An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions written by A.P.J. Jansen and published by Springer. This book was released on 2012-05-31 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the algorithms use random numbers to determine at which times the hops occur and to which neighboring minimum they go. Sometimes this approach is also called dynamic MC or Stochastic Simulation Algorithm, in particular when it is applied to solving macroscopic rate equations. This book has two objectives. First, it is a primer on the kMC method (predominantly using the lattice-gas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics. With these goals in mind, the present text is conceived as a self-contained introduction for students and non-specialist researchers alike who are interested in entering the field and learning about the topic from scratch.
Book Synopsis Monte Carlo Device Simulation by : Karl Hess
Download or read book Monte Carlo Device Simulation written by Karl Hess and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Monte Carlo simulation is now a well established method for studying semiconductor devices and is particularly well suited to highlighting physical mechanisms and exploring material properties. Not surprisingly, the more completely the material properties are built into the simulation, up to and including the use of a full band structure, the more powerful is the method. Indeed, it is now becoming increasingly clear that phenomena such as reliabil ity related hot-electron effects in MOSFETs cannot be understood satisfac torily without using full band Monte Carlo. The IBM simulator DAMOCLES, therefore, represents a landmark of great significance. DAMOCLES sums up the total of Monte Carlo device modeling experience of the past, and reaches with its capabilities and opportunities into the distant future. This book, therefore, begins with a description of the IBM simulator. The second chapter gives an advanced introduction to the physical basis for Monte Carlo simulations and an outlook on why complex effects such as collisional broadening and intracollisional field effects can be important and how they can be included in the simulations. References to more basic intro the book. The third chapter ductory material can be found throughout describes a typical relationship of Monte Carlo simulations to experimental data and indicates a major difficulty, the vast number of deformation poten tials required to simulate transport throughout the entire Brillouin zone. The fourth chapter addresses possible further extensions of the Monte Carlo approach and subtleties of the electron-electron interaction.
Book Synopsis Monte Carlo Simulation of Semiconductor Devices by : C. Moglestue
Download or read book Monte Carlo Simulation of Semiconductor Devices written by C. Moglestue and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Particle simulation of semiconductor devices is a rather new field which has started to catch the interest of the world's scientific community. It represents a time-continuous solution of Boltzmann's transport equation, or its quantum mechanical equivalent, and the field equation, without encountering the usual numerical problems associated with the direct solution. The technique is based on first physical principles by following in detail the transport histories of indi vidual particles and gives a profound insight into the physics of semiconductor devices. The method can be applied to devices of any geometrical complexity and material composition. It yields an accurate description of the device, which is not limited by the assumptions made behind the alternative drift diffusion and hydrodynamic models, which represent approximate solutions to the transport equation. While the development of the particle modelling technique has been hampered in the past by the cost of computer time, today this should not be held against using a method which gives a profound physical insight into individual devices and can be used to predict the properties of devices not yet manufactured. Employed in this way it can save the developer much time and large sums of money, both important considerations for the laboratory which wants to keep abreast of the field of device research. Applying it to al ready existing electronic components may lead to novel ideas for their improvement. The Monte Carlo particle simulation technique is applicable to microelectronic components of any arbitrary shape and complexity.
Book Synopsis Simulation of Charge Transport in Amorphous Organic Semiconductors by : Pascal Friederich
Download or read book Simulation of Charge Transport in Amorphous Organic Semiconductors written by Pascal Friederich and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Modelling Charge Transport for Organic Solar Cells within Marcus Theory by : Riccardo Volpi
Download or read book Modelling Charge Transport for Organic Solar Cells within Marcus Theory written by Riccardo Volpi and published by Linköping University Electronic Press. This book was released on 2016-12-20 with total page 66 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the technological advancement of modern society, electronic devices are getting progressively more integrated in our everyday lives. Their continuouslygrowing presence is generating numerous concerns about costs, efficiency and the environmental impact of the electronic waste. In this context, organic electronics is finding its way through the market, allowing for potentially low-cost, light, flexible, transparent and environmentally friendly electronics. Despite the numerous successes of organic electronics, the functioning of several categories of organic devices still represents a technological challenge, due to problems like low efficiencies and stabilities (degradation over time). Organic devices are composed by one or more organic materials depending on the particular application. The conformation and electronic structure of the organic molecules as well as their supramolecular arrangement in the single phase or at the interface are known to strongly a affect the mobility and/or the efficiency of the device. While there is consensus on the fundamental physics of organic devices, we still lack a detailed comprehensive theory able to fully explain experimental data. In this thesis we focus on trying to expand our knowledge of charge transport in organic materials through theoretical modelling and simulation of organic electronic devices. While the methodology developed is generally valid for any organic device, we will particularly focus on the case represented by organic photovoltaics. The morphology of the system is obtained by molecular dynamics simulations. Marcus theory is used to calculate the hopping rate of the charge carriers and subsequently study the possibility of free charge carriers production in an organic solar cell. The theory is then compared both with Kinetic Monte Carlo simulations and with experiments to identify the main pitfalls of the actual theory and ways to improve it. The Marcus rate between two molecules depends on the molecular orbital energies, the transfer integral between the two molecules and the reorganization energy. The orbital energies and the transfer integrals between two neighbouring molecules are obtained through quantum mechanical calculations in vacuum. Electrostatic effects of the environment are included through atomic charges and atomic polarizabilities, producing a correction both to the orbital energy and to the reorganization energy. We have studied several systems in the single phase (polyphenylene vinylene, C60, PC61BM) and at the interface between two organic materials (anthracene/C60, TQ1/PC71BM). We show how a combination of different methodologies can be used to obtain a realistic ab-initio model of organic devices taking into account environmental effects. This allows us to obtain qualitative agreement with experimental data of mobility in the single phase and to determine whether or not two materials are suitable to be used together in an organic solar cell.
Book Synopsis Topics In High Field Transport In Semiconductors by : Kevin F Brennan
Download or read book Topics In High Field Transport In Semiconductors written by Kevin F Brennan and published by World Scientific. This book was released on 2001-07-31 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines some of the charge carrier transport issues encountered in the field of modern semiconductor devices and novel materials. Theoretical approaches to the understanding and modeling of the relevant physical phenomena, seen in devices that have very small spatial dimensions and that operate under high electric field strength, are described in papers written by leading experts and pioneers in this field. In addition, the book examines the transport physics encountered in novel materials such as wide band gap semiconductors (GaN, SiC, etc.) as well as organic semiconductors. Topics in High Field Transport in Semiconductors provides a comprehensive overview that will be beneficial to newcomers as well as engineers and researchers engaged in this exciting field.
Book Synopsis Multiscale Modelling of Organic and Hybrid Photovoltaics by : David Beljonne
Download or read book Multiscale Modelling of Organic and Hybrid Photovoltaics written by David Beljonne and published by Springer. This book was released on 2014-08-12 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Book Synopsis Physics of Organic Semiconductors by : Wolfgang Brütting
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.
Book Synopsis Charge and Energy Transport in Disordered Organic Semiconductors by : Hassan Abdalla
Download or read book Charge and Energy Transport in Disordered Organic Semiconductors written by Hassan Abdalla and published by . This book was released on 2018 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Conjugated Polymers by : John R. Reynolds
Download or read book Conjugated Polymers written by John R. Reynolds and published by CRC Press. This book was released on 2019-03-25 with total page 909 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers properties, processing, and applications of conducting polymers. It discusses properties and characterization, including photophysics and transport. It then moves to processing and morphology of conducting polymers, covering such topics as printing, thermal processing, morphology evolution, conducting polymer composites, thin films
