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Computational Photocatalysis
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Book Synopsis Computational Photocatalysis by : Dmitri Kilin
Download or read book Computational Photocatalysis written by Dmitri Kilin and published by . This book was released on 2021-02 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photochemical reactions and the underlying photophysical principles play key roles in the rational design of efficient systems for energy conversion and storage. This volume on interfaces contains fundamental theory, computational models, and applications for real materials. Edited by experts with a deep knowledge of the community, the volume will be useful to computational chemists, materials scientists, physical chemists, and especially those working in energy and nanomaterials.
Book Synopsis Computational Methods in Organometallic Catalysis by : Yu Lan
Download or read book Computational Methods in Organometallic Catalysis written by Yu Lan and published by John Wiley & Sons. This book was released on 2021-03-24 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book includes a historical introduction to organometallic chemistry, a survey of mechanisms, and an extensive introduction to quantum mechanical computational methods.
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 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 2018-03-29 with total page 752 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 Theoretical and Computational Photochemistry by : García Iriepa Cristina
Download or read book Theoretical and Computational Photochemistry written by García Iriepa Cristina and published by Elsevier. This book was released on 2023-04-21 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work. Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes
Book Synopsis Celebrating the Work of Prof. Sourav Pal: Computational Approaches in Catalysis by : Soumyajit Roy
Download or read book Celebrating the Work of Prof. Sourav Pal: Computational Approaches in Catalysis written by Soumyajit Roy and published by Frontiers Media SA. This book was released on 2022-05-25 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Green Chemistry and Computational Chemistry by : Liliana L. Mammino
Download or read book Green Chemistry and Computational Chemistry written by Liliana L. Mammino and published by Elsevier. This book was released on 2021-11-17 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices.Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice. Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry Supports readers in easily selecting the most appropriate path through the book for their own needs Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches
Download or read book Photocatalysis written by Nick Serpone and published by Wiley-Interscience. This book was released on 1989-10-20 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contributors from around the world offer wide-ranging (and sometimes controversial) discussions of the state of research in photocatalysis. Emphasis is on the surface science of catalysis, especially at the gas/solid interface. Eighteen chapters explore topics ranging from the interaction between light and matter, colloidal semiconductors, and the thermodynamics and kinetics of photocatalysis, to photocatalysis in homogeneous and heterogeneous phases, photo-electrocatalysis, and catalysis in energy production and water purification.
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 2021-06-16 with total page 384 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 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 2018-06-11 with total page 624 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 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
Book Synopsis Advances in Computational Intelligence by : Ildar Batyrshin
Download or read book Advances in Computational Intelligence written by Ildar Batyrshin and published by Springer. This book was released on 2013-03-21 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-volume set LNAI 7629 and LNAI 7630 constitutes the refereed proceedings of the 11th Mexican International Conference on Artificial Intelligence, MICAI 2012, held in San Luis Potosí, Mexico, in October/November 2012. The 80 revised papers presented were carefully reviewed and selected from 224 submissions. The second volume includes 40 papers focusing on soft computing. The papers are organized in the following topical sections: natural language processing; evolutionary and nature-inspired metaheuristic algorithms; neural networks and hybrid intelligent systems; fuzzy systems and probabilistic models in decision making.
Book Synopsis Nanostructured Catalysts for Environmental Applications by : Marco Piumetti
Download or read book Nanostructured Catalysts for Environmental Applications written by Marco Piumetti and published by Springer Nature. This book was released on 2021-01-20 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an overview of the recent studies and advances in environmental catalysis by nanomaterials, considering both the fundamental and the technological aspects. It offers contributions in different areas of environmental catalysis, including the catalytic and photocatalytic abatement of environmentally hazardous effluents from stationary or mobile sources, the valorization of waste and the production of sustainable energy. In other words, this monograph provides an overview of modern environmental and energy related applications with a particular emphasis to nano-sized catalytic materials. Recent concepts, experimental data and advanced theories are reported in this book to give evidence of the environmental and sustainable applications that can be found in the highly interdisciplinary field of catalysis.
Book Synopsis Computational Advances of Rh-Catalyzed C–H Functionalization by : Yu Lan
Download or read book Computational Advances of Rh-Catalyzed C–H Functionalization written by Yu Lan and published by Springer Nature. This book was released on 2021-02-26 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a comprehensive overview of recent theoretical studies on rhodium-catalyzed C-H functionalization, a topic that has attracted considerable attention over the years. It includes a brief experimental history, elementary reactions, and theoretical perspectives and describes in detail recent advanced computational studies on different types of Rh-catalyzed C-H functionalization, the underlying mechanisms, and the origin of regioselectivity in a series of such reactions. Providing examples shows readers how to use theoretical tools to solve problems related to mechanisms of organometallic reactions. As such, the book is an interesting and useful resource for a wide readership in various fields involving synthetic organic, organometallic, and catalysis reactions.
Book Synopsis Titanium Dioxide Photocatalysis by : Vladimiro Dal Santo
Download or read book Titanium Dioxide Photocatalysis written by Vladimiro Dal Santo and published by MDPI. This book was released on 2019-05-27 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although the seminal work of Fujishima et al. dates back to 1971, TiO2 still remains the most diffused and studied semiconductor, employed in photo-oxidation processes for cleantech (i.e., polluted water and air treatment), in solar fuel production (mainly hydrogen production by water photo splitting), and in Carbon Capture and Utilization (CCU) processes by CO2 photoreduction. The eleven articles, among them three reviews, in this book cover recent results and research trends of various aspects of titanium dioxide photocatalysis, with the chief aim of improving the final efficiency of TiO2-based materials. Strategies include doping, metal co-catalyst deposition, and the realization of composites with plasmonic materials, other semiconductors, and graphene. Photocatalysts with high efficiency and selectivity can be also obtained by controlling the precise crystal shape (and homogeneous size) and the organization in superstructures from ultrathin films to hierarchical nanostructures. Finally, the theoretical modeling of TiO2 nanoparticles is discussed and highlighted. The range of topics addressed in this book will stimulate the reader’s interest as well as provide a valuable source of information for researchers in academia and industry.
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 International Assessment of Research and Development in Catalysis by Nanostructured Materials by : Robert Davis
Download or read book International Assessment of Research and Development in Catalysis by Nanostructured Materials written by Robert Davis and published by World Scientific. This book was released on 2011 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalyst technologies account for over $1 trillion of revenue in the U.S. economy alone. The applications range from medicines and alternative energy fuel cell technologies to the development of new and innovative clothing fibers. In this book, a World Technology Evaluation Center (WTEC) panel of eight experts in the field assesses the current state of research and development in catalysis by nanostructured materials, its sources of funding, and discusses the state of the field with respect to productivity and leadership in various nations around the world. In addition to showing the numerous and highly advantageous practical applications of the field, the panel concludes that Western Europe is currently the most productive region, followed closely by the United States. Still, the research and development output of the People's Republic of China has recently surpassed that of Japan and is now poised to surpass that of the U.S. as well. As such, this assessment is a timely review of the field's progress, taking into account the increasing contributions from Asia, and will be essential reading for professionals, whether they are seeking an in-depth summary of the state of the art or a broad view of trends affecting the discipline.
