Download or read book Modifying Interface Solvation to Improve the Oxygen Reduction Reaction Electrocatalysis written by Ramchandra Gawas and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Increasing the accessibility of green, affordable hydrogen and reducing the cost of polymer electrolyte membrane fuel cells (PEMFC) devices are critical for the widespread commercialization of hydrogen powered fuel cells. The high cost of PEMFCs is in part due to the high Pt leadings in the cathode catalyst layer (CCL) to compensate for kinetic and transport losses during the sluggish oxygen reduction reaction. Therefore, substantial research efforts have been focused on modifying the CCL and its constituent components to achieve cost parity with other advanced energy technologies, particularly in the transportation sector. Hydrophobic ionic liquids (ILs) have been used as interfacial additives for oxygen reduction reaction (ORR) electrocatalysts, demonstrating enhanced catalyst activity and durability. However, incorporating ILs or IL-modified catalysts into the electrodes of a PEMFC membrane electrode assembly (MEA) has proven to be challenging. To address this limitation, we develop a new ionomer chemistry with orthogonal properties of protonic conductivity and ionic liquid functionality: sulfonated poly(ionic liquid) block copolymers (S-PILBCPs). The new ionomer in the Pt/C CCLs yields a two-fold improvement in the kinetic activity, both in the half-cell and MEA. Furthermore, a Nafion/S-PILBCP composite ionomer substantially improves the high current density performance as well. Despite remarkable improvement in performance at half-cell and MEA-level, the mechanism of this improvement is not completely understood. We combine single crystal voltammetry with microkinetic modeling to analyze the mechanism of ORR enhancement in presence of ionic liquids. With iterative feedback between single crystal voltammetry and microkinetic model output, we establish the importance of accounting for lateral interactions between adsorbed oxygenated species by using real data informed adsorption isotherms. With our experimentally validated model, we show that the mechanism of impact of ILs on ORR activity is through exclusion of water and reduction in electrochemical interface solvation, yielding lower spectator hydroxyl coverages and a reduced barrier for hydroxyl removal, resulting in higher surface site availability during the ORR. The ORR activity of electrocatalysts is traditionally calculated using the current density measured at 0.9 V vs. RHE during the anodic sweep of the ORR polarization curve. This approach enables a quick and reliable screening technique for novel ORR electrocatalysts. However, linear sweep techniques often conceal transient features which could arise during the constant current or potential operation in real devices. We observe that ORR current significantly decays over time at constant potentials as a result of dynamic competition for active sites between the spectator hydroxyl and reactant oxygen species. We employ well-defined single crystal surfaces with the help of microkinetic modeling to get insights into this transient phenomenon observed during the ORR. This improved understanding will help design Pt-interfaces to moderate the interaction of the interfacial water network with Pt active sites, providing another strategy for improving ORR kinetics.
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 Computational Catalysis written by Aravind Asthagiri and published by Royal Society of Chemistry. This book was released on 2014 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.
Download or read book Platinum Monolayer Electrocatalysts written by Radoslav Adzic and published by Springer. This book was released on 2021-08-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes a science and technology of a new type of electrocatalysts consisting of a single atomic layer of platinum on suitable supports. This development helped overcome three major obstacles—catalysts‘ cost, activity, and stability—for a broad range of fuel cell applications. The volume begins with a short introduction to the science of electrocatalysis, covering four reactions important for energy conversion in fuel cells. A description follows of the properties of metal monolayers on electrode surfaces, and underpotential deposition of metals. The authors then describe the concept of Pt monolayer electrocatalysts and its implications and their synthesis by galvanic displacement of less-noble metal monolayers and other methods. The main part of the book presents a discussion of catalysts’ characterization and catalytic properties of Pt monolayers for the four main reactions of electrochemical energy conversion: oxygen reduction and oxidation of hydrogen, methanol and ethanol. The book concludes with a treatment of scale-up syntheses, fuel cell tests, catalysts’ stability and application prospects.
Download or read book Electrocatalysis written by Minhua Shao and published by Springer. This book was released on 2021-03-21 with total page 165 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. 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.
Download or read book PEM Fuel Cell Electrocatalysts and Catalyst Layers written by Jiujun Zhang and published by Springer Science & Business Media. This book was released on 2008-08-26 with total page 1147 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proton exchange membrane (PEM) fuel cells are promising clean energy converting devices with high efficiency and low to zero emissions. Such power sources can be used in transportation, stationary, portable and micro power applications. The key components of these fuel cells are catalysts and catalyst layers. “PEM Fuel Cell Electrocatalysts and Catalyst Layers” provides a comprehensive, in-depth survey of the field, presented by internationally renowned fuel cell scientists. The opening chapters introduce the fundamentals of electrochemical theory and fuel cell catalysis. Later chapters investigate the synthesis, characterization, and activity validation of PEM fuel cell catalysts. Further chapters describe in detail the integration of the electrocatalyst/catalyst layers into the fuel cell, and their performance validation. Researchers and engineers in the fuel cell industry will find this book a valuable resource, as will students of electrochemical engineering and catalyst synthesis.
Download or read book Catalysis in Electrochemistry written by Elizabeth Santos and published by John Wiley & Sons. This book was released on 2011-10-18 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis in Electrochemistry: From Fundamental Aspects to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications. It points out differences between catalysis at gas/surfaces and electrochemical interfaces, along with the future possibilities and impact of electrochemical science on energy problems. This book contributes both to fundamental science; experience in the design, preparation, and characterization of electrocatalytic materials; and the industrial application of electrocatalytic materials for electrochemical reactions. This is an essential resource for scientists globally in academia, industry, and government institutions.
Download or read book Oxide Surfaces written by and published by Elsevier. This book was released on 2001-05-21 with total page 677 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.
Download or read book Polymer Electrolyte Fuel Cells written by Michael Eikerling and published by CRC Press. This book was released on 2014-09-23 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book provides a systematic and profound account of scientific challenges in fuel cell research. The introductory chapters bring readers up to date on the urgency and implications of the global energy challenge, the prospects of electrochemical energy conversion technologies, and the thermodynamic and electrochemical principles underlying the op
Download or read book Canadian Journal of Chemistry written by and published by . This book was released on 1989 with total page 612 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 Methods for Electrocatalysis written by Inamuddin and published by Springer Nature. This book was released on 2020-01-02 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores key parameters, properties and fundamental concepts of electrocatalysis. It also discusses the engineering strategies, current applications in fuel-cells, water-splitting, metal-ion batteries, and fuel generation. This book elucidates entire category viewpoints together with industrial applications. Therefore, all the sections of this book emphasize the recent advances of different types of electrocatalysts, current challenges, and state-of-the-art studies through detailed reviews. This book is the result of commitments by numerous experts in the field from various backgrounds and expertise and appeals to industrialists, researchers, scientists and in addition understudies from various teaches.
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 Electro Fenton Process written by Minghua Zhou and published by Springer. This book was released on 2017-11-25 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume discusses the theoretical fundamentals and potential applications of the original electro-Fenton (EF) process and its most innovative and promising versions, all of which are classified as electrochemical advanced oxidation processes. It consists of 15 chapters that review the latest advances and trends, material selection, reaction and reactor modeling and EF scale-up. It particularly focuses on the applications of EF process in the treatment of toxic and persistent organic pollutants in water and soil, showing highly efficient removal for both lab-scale and pre-pilot setups. Indeed, the EF technology is now mature enough to be brought to market, and this collection of contributions from leading experts in the field constitutes a timely milestone for scientists and engineers.
Download or read book Photoelectrochemical Solar Fuel Production written by Sixto Giménez and published by Springer. This book was released on 2016-04-29 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the conversion for solar energy into renewable liquid fuels through electrochemical reactions. The first section of the book is devoted to the theoretical fundamentals of solar fuels production, focusing on the surface properties of semiconductor materials in contact with aqueous solutions and the reaction mechanisms. The second section describes a collection of current, relevant characterization techniques, which provide essential information of the band structure of the semiconductors and carrier dynamics at the interface semiconductor. The third, and last section comprises the most recent developments in materials and engineered structures to optimize the performance of solar-to-fuel conversion devices.
Download or read book Introduction to the Physics of Silicene and other 2D Materials written by Seymur Cahangirov and published by Springer. This book was released on 2016-11-01 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt: This concise book offers an essential introduction and reference guide for the many newcomers to the field of physics of elemental 2D materials. Silicene and related materials are currently among the most actively studied materials, especially following the first experimental synthesis on substrates in 2012. Accordingly, this primer introduces and reviews the most crucial developments regarding silicene from both theoretical and experimental perspectives. At the same time the reader is guided through the extensive body of relevant foundational literature. The text starts with a brief history of silicene, followed by a comparison of the bonding nature in silicon versus carbon atoms. Here, a simple but robust framework is established to help the reader follow the concepts presented throughout the book. The book then presents the atomic and electronic structure of free-standing silicene, followed by an account of the experimental realization of silicene on substrates. This topic is subsequently developed further to discuss various reconstructions that silicene acquires due to interactions with the substrate and how such effects are mirrored in the electronic properties. Next the book examines the dumbbell structure that is the key to understanding the growth mechanism and atomic structure of multilayer silicene. Last but not least, it addresses similar effects in other elemental 2D materials from group IV (germanene, stanane), group V (phosphorene) and group III (borophene), as well as transition metal dichalcogenides and other compositions, so as to provide a general comparative overview of their electronic properties.
Download or read book Solid Surfaces Interfaces and Thin Films written by Hans Lüth and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book emphasises both experimental and theoretical aspects of surface, interface and thin film physics. Compa- red to the earlier editions, which bore the title "Surfaces and Interfaces of Solid Materials", the book now places more emphasis on thin films, including also their superconducting and ferromagnetic properties. The present 4th edition thus presents techniques of preparing well-defined solid surfaces and interfaces, fundamental aspects of adsorption and layer growth, as well as basic models for the descripti- on of structural, vibronic and electronic properties of sur- faces, interfaces and thin films. Because of their importan- ce for modern information technology, significant attention is paid to the electronic properties of semiconductor inter- faces and heterostructures. Collective phenomena , such as superconductivity and ferromagnetism, also feature promi- nently. Experimental sections covering essential measurement and preparation techniques are presented in separate panels.
