Download or read book A First Principles Investigation on Structural and Catalytic Properties of MoS2 Nanocatalysts for Hydrodesulfurization written by Paul Hyunggyu Joo and published by . This book was released on 2019 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: MoS2-based catalysts have been used in the petroleum industry for decades and it is of long-term interests to improve their catalytic efficiency in a hydrodesulfurization (HDS) process. Our focus is centered on studying the structural, thermochemical, and catalytic properties of the single-layer MoS2 nanosheets, with an objective of generating the ideal HDS catalysts using first-principles calculations. In the first project, we discovered the size and odd-even effects on the formation of sulfur vacancies in the triangular MoS2 nanosheets. The S-terminated edges were found to be energetically more favorable than Mo-terminated edges. Two types of sulfur dimer vacancies at the center (V_S@Cen) and the corner (V_S@Cnr) site of the S-terminated nanosheets revealed odd-even effects in the vacancies formation with respect to size. In the second project, we introduce a new material called a monolayer Janus MoXY, which is a promising alternative to the MoS2 catalyst. The Janus MoXY nanosheets can also be found in a triangular shape, exhibiting similar structural properties as MoS2. For the enhancement of the catalytic activity, the ideal Gibbs free energy ([delta]G_H) of hydrogen adsorption must be close to zero. Interestingly, our calculated [delta]G_H also result in the similar odd-even effect in the hydrogen adsorption with respect to size. In the third project, we report the transition metal (TM) promotion effects on the catalytic activity of S-terminated hexagonal MoS2 nanosheets using 26 TM elements. The HDS activity of TM-promoted MoS2 nanosheets is evaluated by modelling three consequent steps in an HDS process with a dibenzothiophene (DBT) molecule. The reaction energy of each steps were calculated with respect to the descriptor, binding energy (E_b) of TM sulfides. On the basis of the descriptor, several candidates including Co, Fe, and Cr are identified to be the ideal TM promoters. In the fourth project, we examined the properties of Bi-doped NaTaO3 for an additional application of photocatalytic water splitting . The Bi-doping sites were found to be dependent on the materials preparation conditions of NaTaO3 and our results showed enhanced photocatalytic hydrogen evolution under visible light for Bi doping, simultaneously, at Na and Ta sites (Bi@(Na,Ta)). In the fifth project, we theoretically investigated the affinity of Na atoms to B- and N-doped graphene substrates for the application of electrochemical energy storage. Compared to the pristine graphene, B- and N-doped graphene were found to possess different binding energies with the Na atoms with different doping forms.
Download or read book Characterization of Fundamental Catalytic Properties of MoS2 WS2 Nanotubes and Nanoclusters for Desulfurization Catalysis a Surface Temperature Study written by and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The prior project consisted of two main project lines. First, characterization of novel nanomaterials for hydrodesulfurization (HDS) applications. Second, studying more traditional model systems for HDS such as vapor-deposited silica-supported Mo and MoSx clusters. In the first subproject, we studied WS2 and MoS2 fullerene-like nanoparticles as well as WS2 nanotubes. Thiophene (C4H4S) was used as the probe molecule. Interestingly, metallic and sulfur-like adsorption sites could be identified on the silica-supported fullerene-particles system. Similar structures are seen for the traditional system (vapor-deposited clusters). Thus, this may be a kinetics fingerprint feature of modern HDS model systems. In addition, kinetics data allowed characterization of the different adsorption sites for thiophene on and inside WS2 nanotube bundles. The latter is a unique feature of nanotubes that has not been reported before for any inorganic nanotube system; however, examples are known for carbon nanotubes, including prior work of the PI. Although HDS has been studied for decades, utilizing nanotubes as nanosized HDS reactors has never been tried before, as far as we know. This is of interest from a fundamental perspective. Unfortunately, the HDS activity of the nanocatalysts at ultra-high vacuum (UHV) conditions was close to the detection limit of our techniques. Therefore, we propose to run experiments at ambient pressure on related nanopowder samples as part of the renewal application utilizing a now-available GC (gas chromatograph) setup. In addition, Ni and Co doped nanocatalyts are proposed for study. These dopants will boost the catalytic activity. In the second subproject of the prior grant, we studied HDS-related chemistry on more traditional supported cluster catalysts. Mo clusters supported by physical vapor deposition (PVD) on silica have been characterized. Two reaction pathways are evident when adsorbing thiophene on Mo and MoSx clusters: molecular adsorption and dissociation. PVD Mo clusters turned out to be very reactive toward thiophene bond activation. Sulfur and carbon residuals form, which poison the catalyst and sulfide the Mo clusters. Sulfided silica-supported MoSx samples are not reactive toward thiophene bond activation. In addition to S and C deposits, H2, H2S, and small organic molecules were detected in the gas phase. Catalyst reactivation procedures, including O2 and atomic hydrogen treatments, have been tested. Cluster size effects have been seen: thiophene adsorbs molecularly with larger binding energies on smaller clusters. However, larger clusters have smaller activation energy for C4H4S bond activation than smaller clusters. The latter is consistent with early catalysis studies. Kinetics and dynamics parameters have been determined quantitatively. We spent a significant amount of time on upgrades of our equipment. A 2nd-hand refurbished X-ray photoelectron spectrometer (XPS) has been integrated into the existing molecular beam scattering system and is already operational (supported by the DoE supplemental grant available in October 2009). We also added a time of flight (TOF) system to the beam scattering apparatus and improved on the accessible impact energy range (new nozzle heater and gas mixing manifold) for the beam scattering experiments. In addition, a GC-based powder atmospheric flow reactor for studies on powder samples is now operational. Furthermore, a 2nd UHV kinetics system has been upgraded as well. In summary, mostly single crystal systems have so far been considered in basic science studies about HDS. Industrial catalysts, however, can be better approximated with the supported cluster systems that we studied in this project. Furthermore, an entirely new class of HDS systems, namely fullerene-like particles and inorganic nanotubes, has been included. Studying new materials and systems has the potential to impact science and technology. The systems investigated are closely related to energy ...
Download or read book Catalysis at Surfaces written by Wolfgang Grünert and published by Walter de Gruyter GmbH & Co KG. This book was released on 2023-07-24 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis is at the heart of the chemical industry, which uses solid catalysts for the large-scale production of commodity chemicals. Catalysis at surfaces is also the basis for the ongoing transition to a sustainable energy supply, which requires molecules such as hydrogen, ammonia or methanol to store energy in chemical bonds, and environmental protection equally relies on heterogeneous catalysis. Catalysis at surfaces is a truly interdisciplinary field, which requires profound knowledge from chemistry, physics and engineering as provided by this textbook. All essential tools are described ranging from the synthesis and modification of porous solids over bulk- and surface-sensitive characterization techniques to currently applied theoretical methods. A close-up to the important aspects of surface catalysis is provided, which comprises the established knowledge about mechanisms and active sites, promotors and poisons in redox and acid-base catalysis. This advanced textbook is recommended for Master and PhD students, for whom it provides the fundamentals and all relevant aspects of catalyst synthesis, characterization and application in suitable reactors. It is not only thermal catalysis that is covered in depth, but also photo- and electrocatalysis as emerging fields in the Energiewende.
Download or read book Nanotechnology in Oil and Gas Industries written by Tawfik Abdo Saleh and published by Springer. This book was released on 2017-10-06 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a powerful source to develop new, rapid and highly efficient materials for the application in various fields of oil and gas. It focuses on the synthesis, characterization and applications of various Nanomaterials, presenting the state-of-the-art in developments and innovations in nanocomposites. This book provides the complete practical and theoretical information about the synthesis of nanoparticles with potential use in the field of oil and gas.
Download or read book Nanoscale Materials for Warfare Agent Detection Nanoscience for Security written by Carla Bittencourt and published by Springer. This book was released on 2019-05-24 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a blueprint for researchers in the area of nanotechnology for chemical defense, especially with regard to future research on detection and protection. It addresses the synthesis of complex nanomaterials with potential applications in a broad range of sensing systems. Above all, it discusses novel experimental and theoretical tools for characterizing and modeling nanostructures and their integration in complex systems. The book also includes electronic structure calculations exploring the atomic and quantum mechanical mechanisms behind molecular binding and identification, so as to provide readers with an in-depth understanding of the capabilities and limitations of various nanomaterial approaches. Gathering contributions by scientists with diverse backgrounds, the book offers a wealth of insightful information for all scientists whose work involves material science and its applications in sensing.
Download or read book Atomically Precise Metal Nanoclusters written by Zhikun Wu and published by Morgan & Claypool Publishers. This book was released on 2020-11-06 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomically precise metal nanocluster research has emerged as a new frontier. This book serves as an introduction to metal nanoclusters protected by ligands. The authors have summarized the synthesis principles and methods, the characterization methods and new physicochemical properties, and some potential applications. By pursuing atomic precision, such nanocluster materials provide unprecedented opportunities for establishing precise relationships between the atomic-level structures and the properties. The book should be accessible to senior undergraduate and graduate students, researchers in various fields (e.g., chemistry, physics, materials, biomedicine, and engineering), R&D scientists, and science policy makers.
Download or read book X Ray Absorption and X Ray Emission Spectroscopy 2 Volume Set written by Jeroen A. van Bokhoven and published by John Wiley & Sons. This book was released on 2016-03-21 with total page 940 pages. Available in PDF, EPUB and Kindle. Book excerpt: X-Ray Absorption and X-ray Emission Spectroscopy: Theory and Applications During the last two decades, remarkable and often spectacular progress has been made in the methodological and instrumental aspects of x-ray absorption and emission spectroscopy. This progress includes considerable technological improvements in the design and production of detectors especially with the development and expansion of large-scale synchrotron reactors All this has resulted in improved analytical performance and new applications, as well as in the perspective of a dramatic enhancement in the potential of x-ray based analysis techniques for the near future. This comprehensive two-volume treatise features articles that explain the phenomena and describe examples of X-ray absorption and emission applications in several fields, including chemistry, biochemistry, catalysis, amorphous and liquid systems, synchrotron radiation, and surface phenomena. Contributors explain the underlying theory, how to set up X-ray absorption experiments, and how to analyze the details of the resulting spectra. X-Ray Absorption and X-ray Emission Spectroscopy: Theory and Applications: Combines the theory, instrumentation and applications of x-ray absorption and emission spectroscopies which offer unique diagnostics to study almost any object in the Universe. Is the go-to reference book in the subject for all researchers across multi-disciplines since intense beams from modern sources have revolutionized x-ray science in recent years Is relevant to students, postdocurates and researchers working on x-rays and related synchrotron sources and applications in materials, physics, medicine, environment/geology, and biomedical materials
Download or read book Low Dimensional Solids written by Duncan W. Bruce and published by John Wiley & Sons. This book was released on 2011-03-29 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: With physical properties that often may not be described by the transposition of physical laws from 3D space across to 2D or even 1D space, low-dimensional solids exhibit a high degree of anisotropy in the spatial distribution of their chemical bonds. This means that they can demonstrate new phenomena such as charge-density waves and can display nanoparticulate (0D), fibrous (1D) and lamellar (2D) morphologies. This text presents some of the most recent research into the synthesis and properties of these solids and covers: Metal Oxide Nanoparticles Inorganic Nanotubes and Nanowires Biomedical Applications of Layered Double Hydroxides Carbon Nanotubes and Related Structures Superconducting Borides Introducing topics such as novel layered superconductors, inorganic-DNA delivery systems and the chemistry and physics of inorganic nanotubes and nanosheets, this book discusses some of the most exciting concepts in this developing field. Additional volumes in the Inorganic Materials Book Series: Molecular Materials Functional Oxides Porous Materials Energy Materials All volumes are sold individually or as comprehensive 5 Volume Set.
Download or read book Photoelectrochemical Hydrogen Production written by Roel van de Krol and published by Springer Science & Business Media. This book was released on 2011-11-09 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photoelectrochemical Hydrogen Production describes the principles and materials challenges for the conversion of sunlight into hydrogen through water splitting at a semiconducting electrode. Readers will find an analysis of the solid state properties and materials requirements for semiconducting photo-electrodes, a detailed description of the semiconductor/electrolyte interface, in addition to the photo-electrochemical (PEC) cell. Experimental techniques to investigate both materials and PEC device performance are outlined, followed by an overview of the current state-of-the-art in PEC materials and devices, and combinatorial approaches towards the development of new materials. Finally, the economic and business perspectives of PEC devices are discussed, and promising future directions indicated. Photoelectrochemical Hydrogen Production is a one-stop resource for scientists, students and R&D practitioners starting in this field, providing both the theoretical background as well as useful practical information on photoelectrochemical measurement techniques. Experts in the field benefit from the chapters on current state-of-the-art materials/devices and future directions.
Download or read book Laser induced Graphene written by Ruquan Ye and published by . This book was released on 2020-11-30 with total page 88 pages. Available in PDF, EPUB and Kindle. Book excerpt: LIG is a revolutionary technique that uses a common CO2 infrared laser scriber, like the one used in any machine shop, for the direct conversion of polymers into porous graphene under ambient conditions. This technique combines the preparation and patterning of 3D graphene in a single step, without the use of wet chemicals. The ease in the structural engineering and excellent mechanical properties of the 3D graphene obtained have made LIG a versatile technique for applications across many fields. This book compiles cutting-edge research on LIG by different research groups all over the world. It discusses the strategies that have been developed to synthesize and engineer graphene, including controlling its properties such as porosity, composition, and surface characteristics. The authors are pioneers in the discovery and development of LIG and the book will appeal to anyone involved in nanotechnology, chemistry, environmental sciences, and device development, especially those with an interest in the synthesis and applications of graphene-based materials.
Download or read book Supported Catalysts and Their Applications written by David C Sherrington and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: The need to improve both the efficiency and environmental acceptability of industrial processes is driving the development of heterogeneous catalysts across the chemical industry, including commodity, specialty and fine chemicals and in pharmaceuticals and agrochemicals. Drawing on international research, Supported Catalysts and their Applications discusses aspects of the design, synthesis and application of solid supported reagents and catalysts, including supported reagents for multi-step organic synthesis; selectivity in oxidation catalysis; mesoporous molecular sieve catalysts; and the use of Zeolite Beta in organic reactions. In addition, the two discrete areas of heterogeneous catalysis (inorganic oxide materials and polymer-based catalysts) that were developing in parallel are now shown to be converging, which will be of great benefit to the whole field. Providing a snapshot of the state-of-the-art in this fast-moving field, this book will be welcomed by industrialists and researchers, particularly in the agrochemicals and pharmaceuticals industries.
Download or read book Photo and Electro Catalytic Processes written by Jianmin Ma and published by John Wiley & Sons. This book was released on 2022-01-25 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explore green catalytic reactions with this reference from a renowned leader in the field Green reactions—like photo-, photoelectro-, and electro-catalytic reactions—offer viable technologies to solve difficult problems without significant damage to the environment. In particular, some gas-involved reactions are especially useful in the creation of liquid fuels and cost-effective products. In Photo- and Electro-Catalytic Processes: Water Splitting, N2 Fixing, CO2 Reduction, award-winning researcher Jianmin Ma delivers a comprehensive overview of photo-, electro-, and photoelectron-catalysts in a variety of processes, including O2 reduction, CO2 reduction, N2 reduction, H2 production, water oxidation, oxygen evolution, and hydrogen evolution. The book offers detailed information on the underlying mechanisms, costs, and synthetic methods of catalysts. Filled with authoritative and critical information on green catalytic processes that promise to answer many of our most pressing energy and environmental questions, this book also includes: Thorough introductions to electrocatalytic oxygen reduction and evolution reactions, as well as electrocatalytic hydrogen evolution reactions Comprehensive explorations of electrocatalytic water splitting, CO2 reduction, and N2 reduction Practical discussions of photoelectrocatalytic H2 production, water splitting, and CO2 reduction In-depth examinations of photoelectrochemical oxygen evolution and nitrogen reduction Perfect for catalytic chemists and photochemists, Photo- and Electro-Catalytic Processes: Water Splitting, N2 Fixing, CO2 Reduction also belongs in the libraries of materials scientists and inorganic chemists seeking a one-stop resource on the novel aspects of photo-, electro-, and photoelectro-catalytic reactions.
Download or read book Catalysis written by Gadi Rothenberg and published by John Wiley & Sons. This book was released on 2017-09-06 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This introductory textbook covers all aspects of catalysis. It also bridges computational methods, industrial applications and green chemistry, with over 600 references. The book is aimed at chemistry and chemical engineering students, and is suitable for both senior undergraduate- and graduate-level courses, with many examples and hands-on exercises. The author, a renowned researcher in catalysis, is well known for his clear teaching and writing style (he was voted "lecturer of the year" by the chemistry students). Following an introduction to green chemistry and the basics of catalysis, the book covers the principles and applications of homogeneous catalysis, heterogeneous catalysis and biocatalysis. Each chapter includes up-to-date industrial examples, that demonstrate how catalysis helps our society reach the goals of sustainable development. Since its publication in 2008, Catalysis: Concepts and Green Applications has become the most popular textbook in catalysis. This second edition is updated with the latest developments in catalysis research in academia and industry. It also contains 50 additional exercises, based on the suggestions of students and teachers of chemistry and chemical engineering from all over the world. The book is also available in the Chinese language (https://detail.tmall.com/item.htm?spm=a212k0.12153887.0.0.4e60687dUTEDKm&id=619581126247). Additional teaching material (original figures as PowerPoint lecture slides) is freely available in the Supplementary Material.
Download or read book Catalysis Green Chemistry and Sustainable Energy written by Angelo Basile and published by Elsevier. This book was released on 2019-11-22 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis, Green Chemistry and Sustainable Energy: New Technologies for Novel Business Opportunities offers new possibilities for businesses who want to address the current global transition period to adopt low carbon and sustainable energy production. This comprehensive source provides an integrated view of new possibilities within catalysis and green chemistry in an economic context, showing how these potential new technologies may become useful to business. Fundamentals and specific examples are included to guide the transformation of idea to innovation and business. Offering an overview of the new possibilities for creating business in catalysis, energy and green chemistry, this book is a beneficial tool for students, researchers and academics in chemical and biochemical engineering. - Discusses new developments in catalysis, energy and green chemistry from the perspective of converting ideas to innovation and business - Presents case histories, preparation of business plans, patent protection and IP rights, creation of start-ups, research funds and successful written proposals - Offers an interdisciplinary approach combining science and business
Download or read book Electrochemical Water Splitting written by Inamuddin and published by Materials Research Forum LLC. This book was released on 2019-10-25 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aiming at the generation of hydrogen from water, electrochemical water splitting represents a promising clean technology for generating a renewable energy resource. The book reviews the fundamental aspects and describes recent research advances. Properties and characterization methods for various types of electrocatalysts are discussed, including noble metals, earth-abundant metals, metal-organic frameworks, carbon nanomaterials and polymers. Keywords: Electrochemical Water Splitting, Renewable Energy Resource, Electrocatalysts, Oxygen Evolution Reaction (OER), Noble Metal Catalysts, Earth-Abundant Metal Catalysts, MOF Catalysts, Carbon-based Nanocatalysts, Polymer Catalysts, Transition Metal-based Electrocatalysts, Fe-based Electrocatalysts, Co-based Electrocatalysts, Ni-based Electrocatalysts, Metal Free Catalysts, Transition-Metal Chalcogenides, Prussian Blue Analogues.
Download or read book MoS2 written by Zhiming M. Wang and published by Springer Science & Business Media. This book was released on 2013-11-18 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the structure and electronic, magnetic, and other properties of various MoS2 (Molybdenum disulfide) nanostructures, with coverage of synthesis, Valley polarization, spin physics, and other topics. MoS2 is an important, graphene-like layered nano-material that substantially extends the range of possible nanostructures and devices for nanofabrication. These materials have been widely researched in recent years, and have become an attractive topic for applications such as catalytic materials and devices based on field-effect transistors (FETs) and semiconductors. Chapters from leading scientists worldwide create a bridge between MoS2 nanomaterials and fundamental physics in order to stimulate readers' interest in the potential of these novel materials for device applications. Since MoS2 nanostructures are expected to be increasingly important for future developments in energy and other electronic device applications, this book can be recommended for Physics and Materials Science and Engineering departments and as reference for researchers in the field.
Download or read book Transition Metal Sulphides written by Th. Weber and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. The present book deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book¿s 12 chapters present reviews of solid-state, coordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. Can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.
