Download or read book Electronic and Atomic Structure and Dynamics of Electrode Electrolyte Interfaces by Computer Simulation written by Sean Michael Walbran and published by . This book was released on 1999 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Atomic Scale Modelling of Electrochemical Systems written by Marko M. Melander and published by John Wiley & Sons. This book was released on 2021-09-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1999 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Proceedings of the Symposium on Microscopic Models of Electrode Electrolyte Interfaces written by Electrochemical Society. Corrosion Division and published by The Electrochemical Society. This book was released on 1993 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Multiscale Simulations for Electrochemical Devices written by Ryoji Asahi and published by CRC Press. This book was released on 2020-01-03 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental protection and sustainability are major concerns in today’s world, and a reduction in CO2 emission and the implementation of clean energy are inevitable challenges for scientists and engineers today. The development of electrochemical devices, such as fuel cells, Li-ion batteries, and artificial photosynthesis, is vital for solving environmental problems. A practical device requires designing of materials and operational systems; however, a multidisciplinary subject covering microscopic physics and chemistry as well as macroscopic device properties is absent. In this situation, multiscale simulations play an important role. This book compiles and details cutting-edge research and development of atomistic, nanoscale, microscale, and macroscale computational modeling for various electrochemical devices, including hydrogen storage, Li-ion batteries, fuel cells, and artificial photocatalysis. The authors have been involved in the development of energy materials and devices for many years. In each chapter, after reviewing the calculation methods commonly used in the field, the authors focus on a specific computational approach that is applied to a realistic problem crucial for device improvement. They introduce the simulation technique not only as an analysis tool to explain experimental results but also as a design tool in the scale of interest. At the end of each chapter, a future perspective is added as a guide for the extension of research. Therefore, this book is suitable as a textbook or a reference on multiscale simulations and will appeal to anyone interested in learning practical simulations and applying them to problems in the development of frontier and futuristic electrochemical devices.
Download or read book Computational Electrochemistry written by S. Paddison and published by The Electrochemical Society. This book was released on 2015-12-28 with total page 49 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Interfacial Electrochemistry written by Wolfgang Schmickler and published by Springer Science & Business Media. This book was released on 2010-08-26 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrochemistry is an old branch of physical chemistry. Due to the development of surface sensitive techniques, and a technological interest in fuel cells and batteries, it has recently undergone a rapid development. This textbook treats the field from a modern, atomistic point of view while integrating the older, macroscopic concepts. The increasing role of theory is reflected in the presentation of the basic ideas in a way that should appeal to experimentalists and theorists alike. Special care is taken to make the subject comprehensible to scientists from neighboring disciplines, especially from surface science. The book is suitable for an advanced course at the master or Ph.D. level, but should also be useful for practicing electrochemists, as well as to any scientist who wants to understand modern electrochemistry.
Download or read book Interfacial Electrochemistry written by Andrzej Wieckowski and published by Routledge. This book was released on 2017-11-22 with total page 992 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text probes topics and reviews progress in interfacial electrochemistry. It supplies chapter abstracts to give readers a concise overview of individual subjects and there are more than 1500 drawings, photographs, micrographs, tables and equations. The 118 contributors are international scholars who present theory, experimentation and applications.
Download or read book American Doctoral Dissertations written by and published by . This book was released on 2002 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1989 with total page 848 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1993 with total page 922 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Real World Challenges in Quantum Electronics and Machine Computing written by Ananth, Christo and published by IGI Global. This book was released on 2024-08-05 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum computers are unparalleled in terms of computational power, and they have a multitude of promising applications. However, these computers are prone to noise and instability caused by environmental interactions, making the use of these advanced machines rather impractical in most scenarios. Despite these challenges, Real-World Challenges in Quantum Electronics and Machine Computing provides innovative solutions to navigate the complexities of quantum computation, thus offering hope during this time of turbulence. By delving into the intricacies of quantum electronics and machine computing, this book equips readers with the tools to overcome the hurdles obstructing the path to practical quantum computing. It serves as a roadmap for students, practitioners, and professionals, guiding them through the intricacies of error correction techniques and hardware development. With its comprehensive coverage of cutting-edge topics and innovative solutions, the book empowers readers to tackle the most pressing challenges facing the quantum computing landscape. As researchers and engineers strive to unlock the full potential of quantum computation, this book stands as an indispensable resource, guiding them toward a future where quantum computing transcends the realm of theory and becomes a tangible reality.
Download or read book Book of Abstracts written by and published by . This book was released on 2000 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory and Experiment in Electrocatalysis written by Perla B. Balbuena and published by Springer Science & Business Media. This book was released on 2010-11-02 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topics in Number 50 include: " Investigation of alloy cathode Electrocatalysts " A model Hamiltonian that incorporates the solvent effect to gas-phase density functional theory (DFT) calculations " DFT-based theoretical analysis of ORR mechanisms " Structure of the polymer electrolyte membranes (PEM) " ORR investigated through a DFT-Green function analysis of small clusters " Electrocatalytic oxidation and hydrogenation of chemisorbed aromatic compounds on palladium Electrodes " New models that connect the continuum descriptions with atomistic Monte Carlo simulations " ORR reaction in acid revisited through DFT studies that address the complexity of Pt-based alloys in electrocatalytic processes " Use of surface science methods and electrochemical techniques to elucidate reaction mechanisms in electrocatalytic processes " In-situ synchrotron spectroscopy to analyze electrocatalysts dispersed on nanomaterials From reviews of previous volumes: "Continues the valuable service that has been rendered by the Modern Aspects series."--Journal of Electroanalytical Chemistry "Extremely well-referenced and very readable ... Maintains the overall high standards of the series." --Journal of the American Chemical Society.
Download or read book Electron And Ion Transfer In Condensed Media Theoretical Physics For Reaction Kinetics written by Alexei A Kornyshev and published by World Scientific. This book was released on 1997-07-15 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: An elementary act of charge transfer determines a variety of phenomena in physics, chemistry and biology. The study of charge transfer processes has developed together with general progress in theoretical physics and in fast high resolution spectroscopy, so that research deals now with a broad class of systems, materials and environmental conditions. The specific topics covered are: (1) the environment and reactant-environment interaction at bulk and interfaces; (2) the elementary act of electron and proton transfer; homogeneous and heterogeneous processes; (3) processes of ion and heavy group transfer; ion transport in complex systems; (4) artificially and naturally organized charge transfer in physics, chemistry and biology, technological applications (molecular electronics, sensors, modified electrodes, membrane transport).
Download or read book Green Energy Materials Handbook written by Ming-Fa Lin and published by CRC Press. This book was released on 2019-06-18 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: Green Energy Materials Handbook gives a systematic review of the development of reliable, low-cost, and high-performance green energy materials, covering mainstream computational and experimental studies as well as comprehensive literature on green energy materials, computational methods, experimental fabrication and characterization techniques, and recent progress in the field. This work presents complete experimental measurements and computational results as well as potential applications. Among green technologies, electrochemical and energy storage technologies are considered as the most practicable, environmentally friendly, and workable to make full use of renewable energy sources. This text includes 11 chapters on the field, devoted to 4 important topical areas: computational material design, energy conversion, ion transport, and electrode materials. This handbook is aimed at engineers, researchers, and those who work in the fields of materials science, chemistry, and physics. The systematic studies proposed in this book can greatly promote the basic and applied sciences.
