Rational Design of Molecular Water Oxidation Catalysts PDF Download
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Author: Joeri Hessels
Publisher:
ISBN: 9789402820805
Category :
Languages : en
Pages : 185
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Book Description
Author: Joeri Hessels
Publisher:
ISBN: 9789402820805
Category :
Languages : en
Pages : 185
Get Book Here
Book Description
Author: Antoni Llobet
Publisher: John Wiley & Sons
ISBN: 1118698622
Category : Technology & Engineering
Languages : en
Pages : 343
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Book Description
Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting. Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most important catalysts discovered today based on first and second row transition metals. A strong emphasis is placed on the description of their performance, as well as how they work from a mechanistic perspective. In addition, a theoretical description of some of the most relevant catalysts based on DFT are presented, as well as a description of related natural systems, such as the oxygen evolving system of photosystem II and the heme chlorite-dismutase. This book is a valuable resource for researchers working on water oxidation catalysis, solar energy conversion and artificial photosynthesis, as well as for chemists and materials scientists with a broad interest in new sustainable energy conversion schemes.
Author: Antoni Llobet
Publisher: John Wiley & Sons
ISBN: 1118698622
Category : Technology & Engineering
Languages : en
Pages : 343
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Book Description
Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting. Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most important catalysts discovered today based on first and second row transition metals. A strong emphasis is placed on the description of their performance, as well as how they work from a mechanistic perspective. In addition, a theoretical description of some of the most relevant catalysts based on DFT are presented, as well as a description of related natural systems, such as the oxygen evolving system of photosystem II and the heme chlorite-dismutase. This book is a valuable resource for researchers working on water oxidation catalysis, solar energy conversion and artificial photosynthesis, as well as for chemists and materials scientists with a broad interest in new sustainable energy conversion schemes.
Author: Andy Nguyen
Publisher:
ISBN:
Category :
Languages : en
Pages : 139
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Book Description
Author:
Publisher: Academic Press
ISBN: 0128160837
Category : Science
Languages : en
Pages : 380
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Book Description
Water Oxidation Catalysts, Volume 74, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, ranging from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Advances in Inorganic Chemistry series Includes the latest information on water oxidation catalysts
Author: Carminna Ottone
Publisher: Springer
ISBN: 3030127125
Category : Technology & Engineering
Languages : en
Pages : 117
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Book Description
This book offers comprehensive information on the main techniques for measuring water-oxidation-catalyst (WOC) performance, with a particular focus on the combined use of sacrificial oxidants and dyes within closed-batch reactors. It provides an overview of the latest advances in the synthesis of more efficient WOCs, followed by an analysis of the requirements for sustainable energy production. Readers will find a detailed description of the reaction mechanism used in catalyst assessment systems, which reveals the benefits and limitations of the most common sacrificial oxidant/dye pair. Experimental techniques including electrochemical methods for characterizing novel and non-photoactive WOCs are also described. Throughout the book, various manganese oxides are used as examples of the techniques reviewed or proposed systems. Cost considerations and technological perspectives of the scale-up of solar-driven hydrogen production are also addressed. Lastly, the book presents lessons learned from the implementation of a large-scale real-world device.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
We are carrying out coordinated theoretical and experimental studies of toward photochemical water splitting using band-gap-narrowed semiconductors (BGNSCs) with attached multi-electron molecular water oxidation and hydrogen production catalysts. We focus on the coupling between the materials properties and the H2O redox chemistry, with an emphasis on attaining a fundamental understanding of the individual elementary steps in the following four processes: (1) Light-harvesting and charge-separation of stable oxide or oxide-derived semiconductors for solar-driven water splitting, including the discovery and characterization of the behavior of such materials at the aqueous interface; (2) The catalysis of the four-electron water oxidation by dinuclear hydroxo transition-metal complexes with quinonoid ligands, and the rational search for improved catalysts; (3) Transfer of the design principles learned from the elucidation of the DuBois-type hydrogenase model catalysts in acetonitrile to the rational design of two-electron hydrogen production catalysts for aqueous solution; (4) Combining these three elements to examine the function of oxidation catalysts on BGNSC photoanode surfaces and hydrogen production catalysts on cathode surfaces at the aqueous interface to understand the challenges to the efficient coupling of the materials functions.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Author: Daniel R. Harper
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
The water oxidation reaction can be used to produce renewable solar fuels, but efficient catalysts need to be discovered to enable its use at the industrial scale. The most active known water oxidation catalysts (WOCs) follow a common theme in chemical catalysis, relying on rare metals such as ruthenium and iridium. To discover alternatives that retain this level of activity while instead utilizing earth-abundant metals, tools need to be developed which leverage knowledge from computation and from existing systems to accelerate catalyst design. This thesis focuses on developing such tools for homogeneous transition metal complexes (TMCs), which are a promising for catalyst development because their properties can be finely tuned through precise ligand modification. To understand the underlying properties which drive water oxidation, we begin by studying the TMCs with the highest activity known thus far: ruthenium WOCs. By leveraging results from density functional theory (DFT), we identify a computational descriptor which correlates well with experimentally observed activity among these catalysts. This descriptor provides a link between computation and experiment, enabling in silico screening for novel WOCs, but it alone is not sufficient. Machine learning (ML) can be used in combination with DFT to further accelerate virtual screening and to extract chemical meaningful design criteria. To enable ML for our application, we next propose a new featurization method which more readily encodes known chemical trends. Our new featurization method, eRAC-185, demonstrates improved performance on data sets which simultaneously incorporate 4d metals, which are common in catalysis, and 3d metals, which are significantly more abundant. Together, our descriptor and featurization method provide the foundation for the computationally accelerated discovery of more active WOCs with earth-abundant metals.
Author: Pablo Garrido Barros
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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