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Quantum Chemistry Studies Of Catalytic And Photocatalytic Materials
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Book Synopsis Quantum Chemistry Studies of Catalytic and Photocatalytic Materials by : Anne Marie Shough
Download or read book Quantum Chemistry Studies of Catalytic and Photocatalytic Materials written by Anne Marie Shough and published by ProQuest. This book was released on 2008 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Various established and novel quantum chemistry methods are employed to investigate the properties of photocatalytic materials. Hybrid quantum mechanics/molecular mechanics (QM/MM) cluster models are developed, allowing accurate geometric and electronic structure predictions for one-dimensional O-Ti-O chains in the microporous titanosilicate ETS-10. This model is exploited to identify transition metal substituents capable of improving the photocatalytic properties of ETS-10. A detailed investigation of vanadium substitution is presented, supporting the presence of both V IV and V V states in experimental samples. Consistent with experimental results, visible-light band gap energies and improved charge separation are predicted for V-substituted ETS-10, establishing this material as a promising visible light photocatalyst. Transition metal substitution trends, based on seven transition metals, are used to develop linear models capable of rapidly estimating key features of the electronic structure for various transition metal combinations. These linear models predict that systems with small ionic radii (V V, Fe III) and high oxidation states (V V, Mo V) are favored for obtaining visible-light band gap energies within the visible range of the spectrum. Similar computational methods are used to investigate reaction mechanisms for the high temperature decomposition of Brønsted acid and hydroxyl nest sites in zeolite materials. The decomposition of these sites is generally attributed to a dehydration mechanism. However, comparable reaction energies are predicted for proposed dehydrogenation pathways, suggesting that both reactions are likely to occur. This is consistent with recent experimental reports that have identified H 2 as the primary product from thermally treated zeolites. Predicted geometries and optical absorption spectra of the proposed dehydrogenation products are consistent with experimental results, providing insight into the structure of active sites in zeolite materials used in high temperature industrial applications. In the final section, a new methodology, the poly-functional (PF) method, is developed for predicting thermochemical properties. This method employs linear combinations of enthalpy estimates from different density functionals, exploiting error correlations among the functionals and allowing for further improvements in accuracy. Unlike more costly methods, the PF method boasts a good compromise between accuracy and computational efforts making it useful for larger systems or where computational resources are limited. Opportunities to improve PF accuracy and implications for the development of future density functional theory are discussed.
Book Synopsis Nanomaterials and Photocatalysis in Chemistry by : Muhammad Bilal Tahir
Download or read book Nanomaterials and Photocatalysis in Chemistry written by Muhammad Bilal Tahir and published by Springer Nature. This book was released on 2021-03-04 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book demonstrates the basic and fundamental aspects of nanotechnology and potential application as a photocatalysis in multiple application especially in environment and energy harvesting. This book also contains methods of preparation and characterization of unique nanostructured photocatalysts, and details about their catalytic action. The book consists of seven chapters, including the principles and fundamentals of heterogeneous photocatalysis; the mechanisms and dynamics of surface photocatalysis; research on pure and composites based materials with unique nanostructures; the latest developments and advances in exploiting photocatalyst alternatives to WO3; and photocatalytic materials for applications other than the traditional degradation of pollutants, such as carbon dioxide reduction, water oxidation, a complete spectrum of selective organic transformations and water splitting by photocatalytic reduction. This book will appeal to a wide readership of the academic and industrial researchers and it can also be used in the classroom for undergraduate and graduate students focusing on heterogeneous photocatalysis, sustainable chemistry, energy conversion and storage, nanotechnology, chemical engineering, environmental protection, optoelectronics, sensors, and surface and interface science.
Book Synopsis Current Developments in Photocatalysis and Photocatalytic Materials by : Xinchen Wang
Download or read book Current Developments in Photocatalysis and Photocatalytic Materials written by Xinchen Wang and published by Elsevier. This book was released on 2019-11-29 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photocatalytic materials can improve the efficiency and sustainability of processes and offer novel ways to address issues across a wide range of fields—from sustainable chemistry and energy production to environmental remediation. Current Developments in Photocatalysis and Photocatalytic Materials provides an overview of the latest advances in this field, offering insight into the chemistry and activity of the latest generation of photocatalytic materials.After an introduction to photocatalysis and photocatalytic materials, this book goes on to outline a wide selection of photocatalytic materials, not only covering typical metal oxide photocatalysts such as TiO2 but also exploring newly developed organic semiconducting photocatalysts, such as g-C3N4.Drawing on the experience of an expert team of contributors, Current Developments in Photocatalysis and Photocatalytic Materials highlights the new horizons of photocatalysis, in which photocatalytic materials will come to play an important role in our day-to-day lives. Reviews developments in both organic- and inorganic-based materials for use in photocatalysis Presents the fundamental chemistry and activity of a broad range of key photocatalytic materials, including both typical and novel materials Highlights the role photocatalytic materials can play in sustainable applications
Book Synopsis Heterogeneous Photocatalysis by : Jennifer Strunk
Download or read book Heterogeneous Photocatalysis written by Jennifer Strunk and published by John Wiley & Sons. This book was released on 2021-08-23 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover the latest research in photocatalysis combined with foundational topics in basic physical and chemical photocatalytic processes In Heterogeneous Photocatalysis: From Fundamentals to Applications in Energy Conversion and Depollution, distinguished researcher and editor Jennifer Strunk delivers a rigorous discussion of the two main topics in her field—energy conversion and depollution reactions. The book covers topics like water splitting, CO2 reduction, NOx abatement and harmful organics degradation. In addition to the latest research on these topics, the reference provides readers with fundamental information about elementary physical and chemical processes in photocatalysis that are extremely practical in this interdisciplinary field. It offers an excellent overview of modern heterogeneous photocatalysis and combines concepts from different viewpoints to allow researchers with backgrounds as varied as electrochemistry, material science, and semiconductor physics to begin developing solutions with photocatalysis. In addition to subjects like metal-free photocatalysts and photocarrier loss pathways in metal oxide absorber materials for photocatalysis explored with time-resolved spectroscopy, readers will also benefit from the inclusion of: Thorough introductions to kinetic and thermodynamic considerations for photocatalyst design and the logic, concepts, and methods of the design of reliable studies on photocatalysis Detailed explorations of in-situ spectroscopy for mechanistic studies in semiconductor photocatalysis and the principles and limitations of photoelectrochemical fuel generation Discussions of photocatalysis, including the heterogeneous catalysis perspective and insights into photocatalysis from computational chemistry Treatments of selected aspects of photoreactor engineering and defects in photocatalysis Perfect for photochemists, physical and catalytic chemists, electrochemists, and materials scientists, Heterogeneous Photocatalysis will also earn a place in the libraries of surface physicists and environmental chemists seeking up-to-date information about energy conversion and depollution reactions.
Book Synopsis Introduction to Photocatalysis by : Yoshio Nosaka
Download or read book Introduction to Photocatalysis written by Yoshio Nosaka and published by Royal Society of Chemistry. This book was released on 2019-03-07 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting the basic science of semiconductor photocatalysis together with the various practical applications, this textbook is ideal for graduate students. It covers fundamental principles and applicable techniques of light, solid state physics, electrochemistry, reaction kinetics, and materials processing. A solid understanding of semiconductor photoelectrochemistry is developed through discussing the basic properties of a representative photocatalytic material, TiO2; the basic science of the light absorption phenomenon and the application to the powder suspension useful for the photocatalytic research; and the electronic state of semiconductors. Following this, the textbook moves on to explore photoelectrochemistry; the mechanism and kinetic analysis of photocatalytic reactions; typical fabrication methods of common photocatalysts and the factors for improving photocatalytic activity; and evaluation methods of photocatalytic activity. The textbook concludes by looking at the future prospects of the applications of photocatalysis. This introductory textbook provides a foundation in photocatalysis to supplement graduate courses in catalysis, environmental science, materials science and chemical engineering.
Book Synopsis Full-Spectrum Responsive Photocatalytic Materials by : Chuanyi Wang
Download or read book Full-Spectrum Responsive Photocatalytic Materials written by Chuanyi Wang and published by Elsevier. This book was released on 2024-01-25 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Full-Spectrum Responsive Photocatalytic Materials: From Fundamentals to Applications provides a comprehensive overview on the design, synthesis concepts, mechanisms, characterization techniques, and advances and limitations in applications of full-spectrum responsive photocatalytic materials. The book starts with the fundamentals of full-spectrum responsive materials. It then discusses the problems of most semiconductors that are not active in the whole solar spectrum and explains the benefits of utilizing full-spectrum responsive photocatalysts. Other sections describe examples of full-spectrum responsive photocatalysts classified by material types and provide the design principles and characterization protocols for these promising materials. Photocatalysis technology based on semiconductor materials holds great promise in various fields due to its potential advantages in energy-saving, cost and environmental impact. Maximizing the utilization of solar energy is always the target of pursuits in the areas of photocatalysis, and understanding and constructing appropriate full-spectrum (UV-VIS-NIR) responsive photocatalytic materials offer ways to better realize the practical utilization of photocatalysis. Provides new insights into full-spectrum (UV-VIS-NIR) responsive photocatalysts and successful approaches for developing these materials Assists readers working to develop more efficient catalysts and establish a solid structure–activity correlation Suggests possibilities for the alteration of conventional photocatalysts to utilize the full spectrum of solar light
Book Synopsis Design of Advanced Photocatalytic Materials for Energy and Environmental Applications by : Juan M. Coronado
Download or read book Design of Advanced Photocatalytic Materials for Energy and Environmental Applications written by Juan M. Coronado and published by Springer Science & Business Media. This book was released on 2013-05-27 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research for the development of more efficient photocatalysts has experienced an almost exponential growth since its popularization in early 1970’s. Despite the advantages of the widely used TiO2, the yield of the conversion of sun power into chemical energy that can be achieved with this material is limited prompting the research and development of a number of structural, morphological and chemical modifications of TiO2 , as well as a number of novel photocatalysts with very different composition. Design of Advanced Photocatalytic Materials for Energy and Environmental Applications provides a systematic account of the current understanding of the relationships between the physicochemical properties of the catalysts and photoactivity. The already long list of photocatalysts phases and their modifications is increasing day by day. By approaching this field from a material sciences angle, an integrated view allows readers to consider the diversity of photocatalysts globally and in connection with other technologies. Design of Advanced Photocatalytic Materials for Energy and Environmental Applications provides a valuable road-map, outlining the common principles lying behind the diversity of materials, but also delimiting the imprecise border between the contrasted results and the most speculative studies. This broad approach makes it ideal for specialist but also for engineers, researchers and students in related fields.
Book Synopsis New Insights in Photocatalysis for Environmental Applications by : Muhammad Bilal Tahir
Download or read book New Insights in Photocatalysis for Environmental Applications written by Muhammad Bilal Tahir and published by Springer Nature. This book was released on 2022-04-21 with total page 69 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains the basic and fundamental aspects of nanotechnology and the potential use of nanostructured photocatalysts in various applications, especially in the context of the environment and energy harvesting. It describes the preparation and characterization of unique nanostructured photocatalysts and provides details of their catalytic action, and also discusses the design of new types of photocatalysts with controlled nanostructures. Given its broad scope, the book will appeal to academic and industrial researchers interested in heterogeneous photocatalysis, sustainable chemistry, energy conversion and storage, nanotechnology, chemical engineering, environmental protection, optoelectronics, sensors and surface and interface science.
Book Synopsis Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis by : F. Ruette
Download or read book Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis written by F. Ruette and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of "high-tech" materials in contemporary industries is deeply related to a detailed understanding of specific surface properties of catalysts which make particular reactions possible. But this understanding presupposes that there exists a body of theory capable of explaining situations not easily accessible to experimental methods and of relating experimental findings among themselves and with theoretical constructs. For these reasons, theoretical developments in surface physics and surface chemistry of transition metal compounds have been of paramount importance in promoting progress in catalysis, electronic devices, corrosion, etc. Although a great variety of spectroscopic methods for analyzing solids and surfaces at molecular scale have been introduced in recent years, nevertheless, many questions about the adsorption sites and intermediates, the effect of promoters, the poisoning of active sites, the nature of segregation of impurities, the process of surface reconstruction, the mechanisms of reactions, etc. have remained unanswered simply because of the great complexity of surface phenomena. It is in this sense that quantum mechanical method- combined with experimental data - may shed some light on the microscopic properties of new surface materials.
Book Synopsis Visible-Light-Active Photocatalysis by : Srabanti Ghosh
Download or read book Visible-Light-Active Photocatalysis written by Srabanti Ghosh and published by John Wiley & Sons. This book was released on 2018-03-23 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive and timely overview of this important and hot topic, with special emphasis placed on environmental applications and the potential for solar light harvesting. Following introductory chapters on environmental photocatalysis, water splitting, and applications in synthetic chemistry, further chapters focus on the synthesis and design of photocatalysts, solar energy conversion, and such environmental aspects as the removal of water pollutants, photocatalytic conversion of CO2. Besides metal oxide-based photocatalysts, the authors cover other relevant material classes including carbon-based nanomaterials and novel hybrid materials. Chapters on mechanistic aspects, computational modeling of photocatalysis and Challenges and perspectives of solar reactor design for industrial applications complete this unique survey of the subject. With its in-depth discussions ranging from a comprehensive understanding to the engineering of materials and applied devices, this is an invaluable resource for a range of disciplines.
Book Synopsis Green Photocatalysts for Energy and Environmental Process by : Saravanan Rajendran
Download or read book Green Photocatalysts for Energy and Environmental Process written by Saravanan Rajendran and published by Springer Nature. This book was released on 2019-09-04 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes green photocatalysts and their diverse applications in the fields of environmental sciences and energy. It especially takes a closer look at the removal of air and water pollutants, the generation of hydrogen, photo fuel cells, electrophotocatalysts, solar energy conversions, and green biophotocatalysts. Furthermore it also discusses on the role of catalysts along with their chemical reactions, challenges, past developments and directions for further research on photocatalysts. It includes recent developments of quantum dots (QDs) and photocatalytic applications of QDs such as carbon materials like carbon and graphene based QDs, metal, metal sulfide and metal oxide based QDs as well as a detailed review on various types of templates used for the preparation of porous g-C3N4 and its applications in detail. This is done with special reference to dye degradation, reduction of hexavalent Cr, and reduction of CO2 and for the evolution of H2 photocatalytically. This book offers an intriguing and useful guide for a broad readership in various fields of catalysis, material sciences, environment and energy.
Book Synopsis Surface Science of Photocatalysis by : Jiaguo Yu
Download or read book Surface Science of Photocatalysis written by Jiaguo Yu and published by Academic Press. This book was released on 2020-03-28 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Surface Science of Photocatalysis, Volume 32, summarizes significant findings on the surface science behind various classic and novel photocatalysts for energy and environmental applications, with special emphasis on important surface/interface processes in photocatalysis, such as interfacial charge transfer, function of co-catalysts, and adsorption over photocatalyst surface. This book timely and systematically reviews the state-of-the-art of the surface science in semiconductor-based photocatalysis, serving as a useful reference book for both new and experienced researchers in this field. Provides timely reviews on cutting-edge research on surface science and photocatalysts Comprehensively discusses novel photocatalysts, such as metal oxides, metal sulphides, graphitic carbon nitrides, graphene and metal-organics Presents important surface/interface processes in photocatalysis, like Z-scheme system and surface heterojunctions Investigates the function of co-catalysts and the adsorption on photocatalyst surfaces Edited by world-leading researchers in interface science
Download or read book Photocatalysis written by Jenny Schneider and published by Royal Society of Chemistry. This book was released on 2016 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combining basic concepts with the synthesis of new catalysts, reactor and reaction engineering, this book is a comprehensive resource for researchers.
Book Synopsis Photocatalytic Reaction Engineering by : Hugo de Lasa
Download or read book Photocatalytic Reaction Engineering written by Hugo de Lasa and published by Springer Science & Business Media. This book was released on 2006-10-31 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous photocatalysis is a novel technique for water purification. Publications on photocatalysis span a relatively recent period of not more than 25 years. This is a technique that, according to our extensive experience on the development of laboratory scale and pilot plant units, has great promise to eliminate water and air pollutants. Photocatalysis offers much more than competitive techniques where pollutants are transferred from phases; photocatalysis can achieve complete mineralization of pollutants leaving non-toxic species such as CO2 and H2O and can be exploited at close to room temperature and ambient pressure.
Book Synopsis Photocatalytic Semiconductors by : Aracely Hernández-Ramírez
Download or read book Photocatalytic Semiconductors written by Aracely Hernández-Ramírez and published by Springer. This book was released on 2014-11-17 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: This critical volume examines the different methods used for the synthesis of a great number of photocatalysts, including TiO2, ZnO and other modified semiconductors, as well as characterization techniques used for determining the optical, structural and morphological properties of the semiconducting materials. Additionally, the authors discuss photoelectrochemical methods for determining the light activity of the photocatalytic semiconductors by means of measurement of properties such as band gap energy, flat band potential and kinetics of hole and electron transfer. Photocatalytic Semiconductors: Synthesis, Characterization and Environmental Applications provide an overview of the semiconductor materials from first- to third-generation photocatalysts and their applications in wastewater treatment and water disinfection. The book further presents economic and toxicological aspects in the production and application of photocatalytic materials.
Book Synopsis Heterogeneous Catalysis at Nanoscale for Energy Applications by : Franklin (Feng) Tao
Download or read book Heterogeneous Catalysis at Nanoscale for Energy Applications written by Franklin (Feng) Tao and published by John Wiley & Sons. This book was released on 2015-02-17 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents both the fundamentals concepts and latestachievements of a field that is growing in importance since itrepresents a possible solution for global energy problems. It focuses on an atomic-level understanding ofheterogeneous catalysis involved in important energy conversionprocesses. It presents a concise picture for the entire areaof heterogeneous catalysis with vision at the atomic- and nano-scales, from synthesis, ex-situ and in-situ characterization,catalytic activity and selectivity, to mechanistic understandingbased on experimental exploration and theoretical simulation. The book: Addresses heterogeneous catalysis, one of the crucialtechnologies employed within the chemical and energyindustries Presents the recent advances in the synthesis andcharacterization of nanocatalysts as well as a mechanisticunderstanding of catalysis at atomic level for important processesof energy conversion Provides a foundation for the potential design ofrevolutionarily new technical catalysts and thus the furtherdevelopment of efficient technologies for the global energyeconomy Includes both theoretical studies and experimentalexploration Is useful as both a textbook for graduate and undergraduatestudents and a reference book for scientists and engineers inchemistry, materials science, and chemical engineering
Book Synopsis Multifunctional Photocatalytic Materials for Energy by : Zhiqun Lin
Download or read book Multifunctional Photocatalytic Materials for Energy written by Zhiqun Lin and published by Woodhead Publishing. This book was released on 2018-03-19 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multifunctional Photocatalytic Materials for Energy discusses recent developments in multifunctional photocatalytic materials, such as semiconductors, quantum dots, carbon nanotubes and graphene, with an emphasis on their novel properties and synthesis strategies and discussions of their fundamental principles and applicational achievements in energy fields, for example, hydrogen generation from water splitting, CO2 reduction to hydrocarbon fuels, degradation of organic pollutions and solar cells. This book serves as a valuable reference book for researchers, but is also an instructive text for undergraduate and postgraduate students who want to learn about multifunctional photocatalytic materials to stimulate their interests in designing and creating advanced materials. Covers all aspects of recent developments in multifunctional photocatalytic materials Provides fundamental understanding of the structure, properties and energy applications of these materials Contains contributions from leading international experts in the field working in multidisciplinary subject areas Focuses on advanced applications and future research advancements, such as graphene-based nanomaterials and multi-hybrid nanocomposites Presents a valuable reference for researchers and students that stimulates interest in designing advanced materials for renewable energy resources
