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 54 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.
Download or read book Modelling and Design of Nanostructured Optoelectronic Devices written by Jagdish A. Krishnaswamy and published by Springer Nature. This book was released on 2022-04-02 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book approaches the design of functionally superior optoelectronic devices through the use of bio-inspired nanostructures and multiscale material structures through a step-by-step approach. The book combines both the fundamental theoretical concepts involved in understanding and numerically modelling optoelectronic devices and the application of such methods in addressing challenging research problems in nanostructured optoelectronic design and fabrication. The book offers comprehensive content in optoelectronic materials and engineering and can be used as a reference material by researchers in nanostructured optoelectronic design.
Download or read book Organic Solar Cells written by Wolfgang Tress and published by Springer. This book was released on 2014-11-22 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers in a textbook-like fashion the basics or organic solar cells, addressing the limits of photovoltaic energy conversion and giving a well-illustrated introduction to molecular electronics with focus on the working principle and characterization of organic solar cells. Further chapters based on the author’s dissertation focus on the electrical processes in organic solar cells by presenting a detailed drift-diffusion approach to describe exciton separation and charge-carrier transport and extraction. The results, although elaborated on small-molecule solar cells and with focus on the zinc phthalocyanine: C60 material system, are of general nature. They propose and demonstrate experimental approaches for getting a deeper understanding of the dominating processes in amorphous thin-film based solar cells in general. The main focus is on the interpretation of the current-voltage characteristics (J-V curve). This very standard measurement technique for a solar cell reflects the electrical processes in the device. Comparing experimental to simulation data, the author discusses the reasons for S-Shaped J-V curves, the role of charge carrier mobilities and energy barriers at interfaces, the dominating recombination mechanisms, the charge carrier generation profile, and other efficiency-limiting processes in organic solar cells. The book concludes with an illustrative guideline on how to identify reasons for changes in the J-V curve. This book is a suitable introduction for students in engineering, physics, material science, and chemistry starting in the field of organic or hybrid thin-film photovoltaics. It is just as valuable for professionals and experimentalists who analyze solar cell devices.
Download or read book Theoretical Study of Electron Transfer in Organic Solar Cells written by Randa Reslan and published by . This book was released on 2015 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic solar devices can provide a cheaper alternative to the current silicon-based solar cell devices. The main disadvantage of organic photovoltaic is their low efficiency. Therefore there is a great need to better understand the mechanism of electron transfer in order to improve the efficiency of these devices. The main goal in my dissertation is to find a more accurate measure of electron transfer in these devices. I have been using theoretical methods to study electron transfer in fullerene derivatives, a common component of organic solar devices. One such method that we have investigated is time-dependent split (TD-Split) to study A to B electron transfer by a TD evaluation of the lowest energy transition from the ground state of the combined (AB)- system. Another method that we have developed is the time-dependent ZINDO method (TD-ZINDO) to study absorption. ZINDO is a useful theoretical tool for systems of interest due to its capacity to handle large systems within reasonable times. We were able to perform explicit time calculations with a minimal basis set. The results were then compared with higher order DFT and TDDFT results. We also used a DFT based method to calculate the charge transfer between very large solvated organic dimers like fullerenes from isolated dimer calculations. In this method, a delocalized bias is applied directly to the Fock matrix of the dimer until the extra electron is balanced between the two molecules in the dimers. Then the transfer rate can be calculated using Marcus theory. These theoretical methods differ in accuracy and speed. In my dissertation, I will present these different methods and compare them to each other and to experimental values.
Download or read book Scalable Interactive Visualization written by Achim Ebert and published by MDPI. This book was released on 2018-05-08 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Scalable Interactive Visualization" that was published in Informatics
Download or read book Polymers in Organic Electronics written by Sulaiman Khalifeh and published by Elsevier. This book was released on 2020-04-01 with total page 617 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymers in Organic Electronics: Polymer Selection for Electronic, Mechatronic, and Optoelectronic Systems provides readers with vital data, guidelines, and techniques for optimally designing organic electronic systems using novel polymers. The book classifies polymer families, types, complexes, composites, nanocomposites, compounds, and small molecules while also providing an introduction to the fundamental principles of polymers and electronics. Features information on concepts and optimized types of electronics and a classification system of electronic polymers, including piezoelectric and pyroelectric, optoelectronic, mechatronic, organic electronic complexes, and more. The book is designed to help readers select the optimized material for structuring their organic electronic system.Chapters discuss the most common properties of electronic polymers, methods of optimization, and polymeric-structured printed circuit boards. The polymeric structures of optoelectronics and photonics are covered and the book concludes with a chapter emphasizing the importance of polymeric structures for packaging of electronic devices. Provides key identifying details on a range of polymers, micro-polymers, nano-polymers, resins, hydrocarbons, and oligomers Covers the most common electrical, electronic, and optical properties of electronic polymers Describes the underlying theories on the mechanics of polymer conductivity Discusses polymeric structured printed circuit boards, including their rapid prototyping and optimizing their polymeric structures Shows optimization methods for both polymeric structures of organic active electronic components and organic passive electronic components
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.
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Download or read book Nanostructured Conductive Polymers written by Ali Eftekhari and published by John Wiley & Sons. This book was released on 2011-07-07 with total page 740 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing a vital link between nanotechnology and conductive polymers, this book covers advances in topics of this interdisciplinary area. In each chapter, there is a discussion of current research issues while reviewing the background of the topic. The selection of topics and contributors from around the globe make this text an outstanding resource for researchers involved in the field of nanomaterials or polymer materials design. The book is divided into three sections: From Conductive Polymers to Nanotechnology, Synthesis and Characterization, and Applications.
Download or read book Non Equilibrium Charge Motion in Organic Solar Cells written by Armantas Melianas and published by Linköping University Electronic Press. This book was released on 2017-04-18 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic photovoltaic (OPV) devices based on semiconducting polymers and small molecules allow for a low cost alternative to inorganic solar cells. Recent developments show power conversion efficiencies as high as 10-12%, highlighting the potential of this technology. Nevertheless, further improvements are necessary to achieve commercialization. To a large extent the performance of these devices is dictated by their ability to extract the photo-generated charge, which is related to the charge carrier mobility. Various time-resolved and steady-state techniques are available to probe the charge carrier mobility in OPVs but often lead to different mobility values for one and the same system. Despite such conflicting observations it is generally assumed that charge transport in OPV devices can be described by well-defined charge carrier mobilities, typically obtained using a single steady-state technique. This thesis shows that the relevance of such well-defined mobilities for the charge separation and extraction processes is very limited. Although different transient techniques probe different time scales after photogeneration, they are mutually consistent as they probe the same physical mechanism governing charge motion – gradual thermalization of the photo-generated carriers in the disorder broadened density of states (DOS). The photo-generated carriers gradually lose their excess energy during transport to the extracting electrodes, but not immediately. Typically not all excess energy is dissipated as the photo-generated carriers tend to be extracted from the OPV device before reaching quasi-equilibrium. Carrier motion is governed by thermalization, leading to a time-dependent carrier mobility that is significantly higher than the steady-state mobility. This picture is confirmed by several transient techniques: Time-resolved Terahertz Spectroscopy (TRTS), Time-resolved Microwave Conductance (TRMC) combined with Transient Absorption (TA), electrical extraction of photo-induced charges (photo-CELIV). The connection between transient and steady-state mobility measurements (space-charge limited conductivity, SCLC) is described. Unification of transient opto-electric techniques to probe charge motion in OPVs is presented. Using transient experiments the distribution of extraction times of photo-generated charges in an operating OPV device has been determined and found to be strongly dispersive, spanning several decades in time. In view of the strong dispersion in extraction times the relevance of even a well-defined time-dependent mean mobility is limited. In OPVs a continuous ‘percolating’ donor network is often considered necessary for efficient hole extraction, whereas if the network is discontinuous, hole transport is thought to deteriorate significantly, limiting device performance. Here, it is shown that even highly diluted donor sites (5.7-10 %) in a buckminsterfullerene (C60) matrix enable reasonably efficient hole transport. Using transient measurements it is demonstrated that hole transport between isolated donor sites can occur by long-range hole tunneling (over distances of ~4 nm) through several C60 molecules – even a discontinuous donor network enables hole transport
Download or read book Photovoltaic Modeling Handbook written by Monika Freunek Müller and published by John Wiley & Sons. This book was released on 2018-08-03 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides the reader with a solid understanding of the fundamental modeling of photovoltaic devices. After the material independent limit of photovoltaic conversion, the readers are introduced to the most well-known theory of "classical" silicon modeling. Based on this, for each of the most important PV materials, their performance under different conditions is modeled. This book also covers different modeling approaches, from very fundamental theoretic investigations to applied numeric simulations based on experimental values. The book concludes wth a chapter on the influence of spectral variations. The information is supported by providing the names of simulation software and basic literature to the field. The information in the book gives the user specific application with a solid background in hand, to judge which materials could be appropriate as well as realistic expectations of the performance the devices could achieve.
Download or read book Organic Solar Cells written by Qiquan Qiao and published by CRC Press. This book was released on 2017-12-19 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current energy consumption mainly depends on fossil fuels that are limited and can cause environmental issues such as greenhouse gas emissions and global warming. These factors have stimulated the search for alternate, clean, and renewable energy sources. Solar cells are some of the most promising clean and readily available energy sources. Plus, the successful utilization of solar energy can help reduce the dependence on fossil fuels. Recently, organic solar cells have gained extensive attention as a next-generation photovoltaic technology due to their light weight, mechanical flexibility, and solution-based cost-effective processing. Organic Solar Cells: Materials, Devices, Interfaces, and Modeling provides an in-depth understanding of the current state of the art of organic solar cell technology. Encompassing the full spectrum of organic solar cell materials, modeling and simulation, and device physics and engineering, this comprehensive text: Discusses active layer, interfacial, and transparent electrode materials Explains how to relate synthesis parameters to morphology of the photoactive layer using molecular dynamics simulations Offers insight into coupling morphology and interfaces with charge transport in organic solar cells Explores photoexcited carrier dynamics, defect states, interface engineering, and nanophase separation Covers inorganic–organic hybrids, tandem structure, and graphene-based polymer solar cells Organic Solar Cells: Materials, Devices, Interfaces, and Modeling makes an ideal reference for scientists and engineers as well as researchers and students entering the field from broad disciplines including chemistry, material science and engineering, physics, nanotechnology, nanoscience, and electrical engineering.
Download or read book The Non Local Density of States of Electronic Excitations in Organic Semiconductors written by Carl. R Poelking and published by Springer. This book was released on 2017-10-24 with total page 133 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the microscopic understanding of the function of organic semiconductors. By tracing the link between their morphological structure and electronic properties across multiple scales, it represents an important advance in this direction. Organic semiconductors are materials at the interface between hard and soft matter: they combine structural variability, processibility and mechanical flexibility with the ability to efficiently transport charge and energy. This unique set of properties makes them a promising class of materials for electronic devices, including organic solar cells and light-emitting diodes. Understanding their function at the microscopic scale – the goal of this work – is a prerequisite for the rational design and optimization of the underlying materials. Based on new multiscale simulation protocols, the book studies the complex interplay between molecular architecture, supramolecular organization and electronic structure in order to reveal why some materials perform well – and why others do not. In particular, by examining the long-range effects that interrelate microscopic states and mesoscopic structure in these materials, the book provides qualitative and quantitative insights into e.g. the charge-generation process, which also serve as a basis for new optimization strategies.
Download or read book Organic Solar Cells written by Pankaj Kumar and published by CRC Press. This book was released on 2016-10-03 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains detailed information on the types, structure, fabrication, and characterization of organic solar cells (OSCs). It discusses processes to improve efficiencies and the prevention of degradation in OSCs. It compares the cost-effectiveness of OSCs to those based on crystalline silicon and discusses ways to make OSCs more economical. This book provides a practical guide for the fabrication, processing, and characterization of OSCs and paves the way for further development in OSC technology.
Download or read book Correlating structure and function in small molecule organic solar cells by means of scanning probe and electron microscopy written by Michael Scherer and published by BoD – Books on Demand. This book was released on 2016-07-20 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this work nanoscale properties in active layers of small molecule organic solar cells are studied regarding their impact on device performance. For this, the effect of variations in stack design and process conditions is examined both electrically and with high resolution imaging techniques. Two topics are addressed: (i) the visualization of charge extraction/injection properties of solar cell contacts and (ii) the tailoring of structural properties of co-evaporated material blends for bulk heterojunction (BHJ) organic solar cells. (i) We study the impact of controlled contact manipulation on the internal electric potential distribution of fluorinated zincphtalocyanine (F4ZnPc)/fullerene (C60) organic solar cells under operating conditions. In a detailed analytical study using photoelectron spectroscopy and in-operando scanning Kelvin probe microscopy it is demonstrated that the electric field distribution of organic solar cells at the maximum power point depends in an overproportional manner on contact properties and ranges from bulk to contact dominated even for solar cells with decent device performance. (ii) The morphology of co-evaporated active layer blends depends on both substrate and substrate temperature. Here we study the morphology of F4ZnPc:C60 blends with analytical transmission electron microscopy. For all substrates used is found that co-evaporation of the materials at elevated substrate temperature (100° Cel) induces a distinct phase segregation of F4ZnPc and C60. However, only when using a C60 underlayer, as in inverted devices, also the crystallinity of the segregated C60 phase increases. There is only a slight increase in crystallinity when F4ZnPc acts as an underlayer, as typically for non-inverted devices. Solar cell characterization reveals that the crystalline C60 domains are the main driving force for enhanced free charge carrier generation and higher power conversion efficiencies. With this we could provide a novel explanation why record efficiencies of small molecule organic solar cells are realized in inverted device architecture only.
Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2018-02-21 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.
Download or read book Supramolecular Materials for Opto Electronics written by Norbert Koch and published by Royal Society of Chemistry. This book was released on 2014-11-07 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: For years, concepts and models relevant to the fields of molecular electronics and organic electronics have been invented in parallel, slowing down progress in the field. This book illustrates how synthetic chemists, materials scientists, physicists, and device engineers can work together to reach their desired, shared goals, and provides the knowledge and intellectual basis for this venture. Supramolecular Materials for Opto-Electronics covers the basic principles of building supramolecular organic systems that fulfil the requirements of the targeted opto-electronic function; specific material properties based on the fundamental synthesis and assembly processes; and provides an overview of the current uses of supramolecular materials in opto-electronic devices. To conclude, a “what’s next” section provides an outlook on the future of the field, outlining the ways overarching work between research disciplines can be utilised. Postgraduate researchers and academics will appreciate the fundamental insight into concepts and practices of supramolecular systems for opto-electronic device integration.
