This book focuses on the use of bio-inspired and biomimetic methods for the fabrication and activation of nanomaterials. This includes studies concerning the binding of the biomolecules to the surface of inorganic structures, structure/function relationships of the final materials and extensive discussions on the final applications of such biomimetic materials in unique applications including energy harvesting/storage, biomedical diagnostics and materials assembly.

This thesis describes novel strategies for the rational design of several cutting-edge high-efficiency photocatalysts, for applications such as water photooxidation, reduction, and overall splitting using a Z-Scheme system. As such, it focuses on efficient strategies for reducing energy loss by controlling charge transfer and separation, including novel faceted forms of silver phosphate for water photooxidation at record high rates, surface-basic highly polymerised graphitic carbon nitride for extremely efficient hydrogen production, and the first example of overall water splitting using a graphitic carbon nitride-based Z-Scheme system. Photocatalytic water splitting using solar irradiation can potentially offer a zero-carbon renewable energy source, yielding hydrogen and oxygen as clean products. These two 'solar' products can be used directly in fuel cells or combustion to provide clean electricity or other energy. Alternatively they can be utilised as separate entities for feedstock-based reactions, and are considered to be the two cornerstones of hydrogenation and oxidation reactions, including the production of methanol as a safe/portable fuel, or conventional catalytic reactions such as Fischer-Tropsch synthesis and ethylene oxide production. The main driving force behind the investigation is the fact that no photocatalyst system has yet reported combined high efficiency, high stability, and cost effectiveness; though cheap and stable, most suffer from low efficiency.

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.

In his thesis, Florian Schweinberger investigates the influence of the precise size of catalytically active species on reactivity. In order to do this he carries out studies both in UHV and under ambient conditions for supported, size-selected Platium clusters (8-68 atoms). Schweinberger probed the electronic structure, adsorption properties and reactivity of two olefins on surfaces and Pt clusters in the submonolayer range. With adsorbed trichloroethene (TCE) a possible cluster-adsorbate induced change in the electronic structure, and for ethene a low-temperature, size-dependent self-/hydrogenation was observed.In a collaborative approach, Schweinberger and colleagues investigated Pt clusters under ambient pressure conditions. They characterised the clusters at at the local and integral level and tested for temperature stability. Experiments in gas phase ?-reactors and in liquid, as part of a hybrid photocatalytic system, revealed size-dependent reactivity.Overall this thesis is not only of interest for those who want to perform similar experiments but also provides superb scientific insights for researchers in the field.

This volume presents the latest developments in the use of organometallic catalysis for the formation of bulk chemicals and the production of energy, via green processes including efficient utilization of waste feedstocks from industry. The chemistry of carbon dioxide relating to its hydrogenation into methanol -an eco-friendly energy storage strategy- and its uses as C1 synthon for the formation of important building-blocks for fine chemicals industry are covered. Catalytic hydrogenations of various functional groups and hydrogen transfer reactions including the use of first row metal catalysts are presented as well as the conversion of alcohols to carboxylates via hydrogen transfer with a zero-waste strategy using water. Transformation of renewable or bio-based raw materials is surveyed through alkene metathesis and C-O bond activations and functionalizations. A green aspect for selective formation of C-C, C-O and C-N bonds involves direct regioselective C-H bond activations and functionalizations. These transformations can now be promoted under mild reaction conditions due to the use photoredox catalyts. C-H bond oxidation using visible light leads mainly to the formation of C-O and C-N bonds, whereas cross-coupled C-C bonds can be formed through the radical additions on (hetero) arenes using photoredox assisted mechanism.

"Advances in Catalysis" fills the gap between the journal papers and the textbooks across the diverse areas of catalysis research. For more than 60 years Advances in Catalysis has been dedicated to recording progress in the field of catalysis and providing the scientific community with comprehensive and authoritative reviews. This series in invaluable to chemical engineers, physical chemists, biochemists, researchers and industrial chemists working in the fields of catalysis and materials chemistry.

* In-depth, critical, state-of-the-art reviews

* Comprehensive, covers of all aspects of catalysis research

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus 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 should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors.
Readership: research scientists at universities or in industry, graduate students
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This thesis presents a combination of material synthesis and characterization with process modeling. In it, the CO2 adsorption properties of hydrotalcites are enhanced through the production of novel supported hybrids (carbon nanotubes and graphene oxide) and the promotion with alkali metals. Hydrogen is regarded as a sustainable energy carrier, since the end users produce no carbon emissions. However, given that most of the hydrogen produced worldwide comes from fossil fuels, its potential as a carbon-free alternative depends on the ability to capture the carbon dioxide released during manufacture. Sorption-enhanced hydrogen production, in which CO2 is removed as it is formed, can make a major contribution to achieving this. The challenge is to find solid adsorbents with sufficient CO2 capacity that can work in the right temperature window over repeated adsorption-desorption cycles. The book presents a highly detailed characterization of the materials, together with an accurate measurement of their adsorption properties under dry conditions and in the presence of steam. It demonstrates that even small quantities of graphene oxide provide superior thermal stability to hydrotalcites due to their compatible layered structure, making them well suited as volume-efficient adsorbents for CO2. Lastly, it identifies suitable catalysts for the overall sorption-enhanced water gas shift process.

Discovery of Frustrated Lewis Pairs: Intermolecular FLPs for Activation of Small Molecules, by Douglas W. Stephan Intramolecular Frustrated Lewis Pairs: Formation and Chemical Features, by Gerald Kehr, Sina Schwendemann, Gerhard Erker Frustrated Lewis Pair Mediated Hydrogenations, by Douglas W. Stephan, Gerhard Erker Amine-Borane Mediated Metal-Free Hydrogen Activation and Catalytic Hydrogenation, by Victor Sumerin, Konstantin Chernichenko, Felix Schulz, Markku Leskela, Bernhard Rieger, Timo Repo Hydrogen Activation by Frustrated Lewis Pairs: Insights from Computational Studies, by Tibor Andras Rokob, Imre Papai Quantum Chemistry of FLPs and Their Activation of Small Molecules: Methodological Aspects, by Birgitta Schirmer, Stefan Grimme Computational Design of Metal-Free Molecules for Activation of Small Molecules, Hydrogenation, and Hydroamination, by Zhi-Xiang Wang, Lili Zhao, Gang Lu, Haixia Li, Fang Huang Computational Studies of Lewis Acidity and Basicity in Frustrated Lewis Pairs, by Thomas M. Gilbert Solid-State NMR as a Spectroscopic Tool for Characterizing Phosphane - Borane Frustrated Lewis Pairs, by Thomas Wiegand, Hellmut Eckert, Stefan Grimme

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics of pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors. All chapters from Topics in Organometallic Chemistry are published OnlineFirst with an individual DOI. In references, Topics in Organometallic Chemistry is abbreviated as Top Organomet Chem and cited as a journal

"Transformation and Utilization of Carbon Dioxide"shows the various organic, polymeric and inorganic compounds which result from the transformation of carbon dioxide through chemical, photocatalytic, electrochemical, inorganic and biological processes. The book consists of twelve chapters demonstrating interesting examples of these reactions, depending on the types of reaction and catalyst. It also includes two chapters dealing with the utilization of carbon dioxide as a reaction promoter and presents a wide range of examples of chemistry and chemical engineering with carbon dioxide. "Transformation and Utilization of Carbon Dioxide"is a collective work of reviews illustrative of recent advances in the transformation and utilization of carbon dioxide. This book is interesting and useful to a wide readership in the various fields of chemical science and engineering.

Bhalchandra Bhanage is a professor of industrial and engineering chemistry at Institute of Chemical Technology, India.

Masahiko Arai is a professor of chemical engineering at Hokkaido University, Japan."

In this thesis, Andrew Logsdail demonstrates that computational chemistry is a powerful tool in contemporary nanoscience, complementing experimental observations and helping guide future experiments. The aim of this particular PhD is to further our understanding of structural and compositional preferences in gold nanoparticles, as well as the compositional and chemical ordering preferences in bimetallic nanoalloys formed with other noble metals, such as palladium and platinum. Highlights include: calculations of the structural preferences and optical-response of gold nanoparticles and gold-containing nanoalloys; the design and implementation of novel numerical algorithms for the structural characterisation of gold nanoparticles from electron microscopy images; and electronic structure calculations investigating the interaction of gold nanoparticles with graphene and graphite substrates.The results presented here have significant implications for future research on the chemical and physical properties of gold-based nanoparticles and are of interest to many researchers working on experimental and theoretical aspects of nanoscience.

The work presented in Thomas M. Gogsig's thesis deals with the discovery of new metal-catalyzed transformations ranging from Kumada-, Heck- and Suzuki-type reactions. The thesis starts with a formidable introduction to Pd-catalyzed cross-coupling reactions. New results have been obtained on:
(i) Pd-catalyzed 1,2-migration reactions,
(ii) Pd-catalyzed Heck reactions employing heteroaromatic tosylates,
(iii) Ni-catalyzed Heck reactions, and
(iv) Pd-catalyzed carbonylative Heck reaction.
Metal-catalyzed cross-coupling reactions are today a highly competititve field (the 2010 Nobel Prize in Chemistry was awarded "for palladium-catalyzed cross couplings in organic synthesis," the 2001 and 2005 Nobel Prizes in closely related fields). Thomas M. Gogsig obtained new results in his thesis that will help to improve the outcome of catalytic processes and improve their scope. The results will thus become key references for tomorrow's new applications. All chapters include insightful discussions and in-depth descriptions of the key principles of these new discoveries."

This thesis reports the discovery of metal nanoparticles having new structures that do not exist in bulk state and that exhibit hydrogen storage ability or CO oxidation activity. Research into the reaction of hydrogen with metals has attracted much attention because of potential applications as effective hydrogen storage materials, as permeable films, or as catalysts for hydrogenation. Also, CO oxidation catalysts have been extensively developed because of their importance to CO removal from car exhaust or fuel-cell systems. At the same time, atomic-level (solid solution) alloying has the advantage of being able to continuously control chemical and physical properties of elements by changing compositions and/or combinations of constituent elements. This thesis provides a novel strategy for the basis of inter-elemental fusion to create highly efficient functional materials for energy and material conversions.

"Advances in Catalysis" fills the gap between the journal papers and the textbooks across the diverse areas of catalysis research. For more than 60 years Advances in Catalysis has been dedicated to recording progress in the field of catalysis and providing the scientific community with comprehensive and authoritative reviews. This series in invaluable to chemical engineers, physical chemists, biochemists, researchers and industrial chemists working in the fields of catalysis and materials chemistry.

* In-depth, critical, state-of-the-art reviews

* Comprehensive, covers of all aspects of catalysis research

Find out how theoretical calculations are used to determine, elucidate and propose mechanisms for Pd-catalyzed C-C cross-coupling reactions in Max Garcia Melchor's outstanding thesis. Garcia Melchor investigates one of the most significant and useful types of reactions in modern organic synthesis; the Pd-cross coupling reaction. Due to its versatility, broad scope and selectivity under mild conditions, this type of reaction can now be applied in fields as diverse as the agrochemical and pharmaceutical industry. Garcia Melchor studies the reaction intermediates and transition states involved in the Negishi, the copper-free Sonogashira and the asymmetric version of Suzuki-Miyaura coupling. He also characterizes and provides a detailed picture of the associated reaction mechanisms. The author has won numerous prizes for this work which has led to over eight publications in internationally renowned journals.

This thesis describes a series of investigations designed to assess the value of metalloenzymes in systems for artificial and adapted photosynthesis. The research presented explores the interplay between inherent enzyme properties such as structure, rates and thermodynamics, and the properties of the semiconducting materials to which the enzyme is attached. Author, Andreas Bachmeier provides a comprehensive introduction to the interdisciplinary field of artificial photosynthesis, allowing the reader to grasp the latest approaches being investigated, from molecular systems to heterogeneous surface catalysis. Bachmeier's work also uses metalloenzymes to highlight the importance of reversible catalysts in removing the burden of poor electrocatalytic rates and efficiencies which are common characteristics for most artificial photosynthesis systems. Overall, this thesis provides newcomers and students in the field with evidence that metalloenzymes can be used to establish new directions in artificial photosynthesis research.

This book presents a range of nanocatalysts, together with their primary environmental applications and use in chemical production processes. In addition, it describes the nanomaterials used for catalysts and details their performance. The book introduces readers to the fundamentals and applications of nanocatalysis, synthesis, characterization, modification and application. Further topics include: landfill organic pollutant photodegradation; magnetic photocatalysis; synergistic effects on hydrogenated TiO2; and photoinduced fusion of gold-semiconductor nanoparticles. A detailed explanation of the chemistry of nanostructures and the ability to control materials at the nano-scale rounds out the coverage. Given the central importance of research in nanotechnology and nanoscience for the development of new catalysts, the book offers a valuable source of information for researchers and academics alike. It will also benefit industrial engineers and production managers who wish to understand the environmental impact of nanocatalysts.

In his thesis, Xiaoyu Sun conducts the first total synthesis of all possible stereoisomers of plakortide E and also confirms the absolute configuration of natural plakortide E. Xiaoyu Sun subsequently converts Plakortide E methyl ester to plakortone B in a biomimetic conversion. Construction and functionalization of cyclic peroxides are notoriously difficult due to the very low O-O bond dissociation energy. Plaktoride E is isolated from the Jamaican marine sponge platorits halichondrioides and contains a five-membered peroxide ring, with oxygen atoms linked to tertiary C4 and C6 centers. The methodology used for synthesizing highly substituted cyclic peroxides is novel and useful, and not only extends the field of Pd-catalyzed reactions, but also provides a convenient synthetic approach for the preparation of the 1,2-dioxolanes series. Plakortide E and plakortone B are bioactive, which means that the synthetic studies on them and their analogs are pivotal in drug discovery.

There is an increasing need to find cost-effective and environmentally sound methods of converting natural resources into fuels, chemicals and energy; catalysts are pivotal to such processes. Catalysis highlights major developments in this area. Coverage of this Specialist Periodical Report includes all major areas of heterogeneous catalysis. In each volume, specific areas of current interest are reviewed. Examples of topics include experimental methods, acid/base catalysis, materials synthesis, environmental catalysis, and syngas conversion.

Volume II presents the latest advances in catalytic hydrodeoxygenation and other transformations of some cellulosic platform chemicals to high value-added products. It presents the theoretical evaluation of the energetics and catalytic species involved in potential pathways of catalyzed carbohydrate conversion, pathways leading to the formation of humin-based by-products, and thermal pathways in deriving chemicals from lignin pyrolysis and hydrodeoxygenation. Catalytic gasification of biomass under extreme thermal conditions as an extension of pyrolysis is also discussed. Marcel Schlaf, PhD, is a Professor at the Department of Chemistry, University of Guelph, Canada. Z. Conrad Zhang, PhD, is a Professor at the Dalian Institute of Chemical Physics, Chinese Academy of Sciences, China.

This book presents nine chapters based on fundamental and applied research of alternative energies. At the present time, the challenge is that technology has to come up with solutions that can provide environmentally friendly energy supply options that are able to cover the current world energy demand. Experts around the world are working on these issues for providing new solutions that will break the existing technological barriers. This book aims to address key pillars in the alternative energy field, such as: biomass energy, hydrogen energy, solar energy, wind energy, hydroelectric power, geothermal energy and their environmental implications, with the most updated progress for each pillar. It also includes the life cycle assessment (LCA) and thermoeconomic analysis (TA) as tools for evaluating and optimising environmental and cost subjects. Chapters are organized into fundamental research, applied research and future trends; and written for engineers, academic researches and scientists.

The increase of greenhouse gases in the atmosphere and the decrease of the available amount of fossil fuels necessitate finding new alternative and sustainable energy sources in the near future. This book summarizes the role and the possibilities of catalysis in the production of new energy carriers and in the utilization of different energy sources. The main goal of this work is to go beyond those results discussed in recent literature by identifying new developments that may lead to breakthroughs in the production of alternative energy. The book discusses the use of biomass or biomass derived materials as energy sources, hydrogen formation in methanol and ethanol reforming, biodiesel production, and the utilization of biogases. Separate sections also deal with fuel cells, photocatalysis, and solar cells, which are all promising processes for energy production that depend heavily on catalysts.

This book explores the formation of colloidal gold-copper (AuCu) alloy nanoparticles and evaluate their application in heterogeneous catalysis. Metal alloys are extremely versatile materials that have been used since the Antiquity to improve the properties of commonly used metals, therefore the understanding of their properties has fostered the applications in areas such as photonics, sensors, clinical diagnostics, and especially in heterogeneous catalysis, which allows catalyst active sites to be modulated. In this book, readers will appreciate the fundamental aspects involved in the synthesis of AuCu nanoalloys, including real-time information about their atomic organization, electronic properties, as well a deeper understand about the behavior of AuCu supported nanoalloys under real catalytic conditions, providing interesting insights about the effect of the support on the nanoalloy stability. The results presented here open new horizons for using metal alloys in catalysis and also other areas where the metal-support interface may play a crucial role.