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Book DFT Study of Hydrogen Storage in Complex Hydrides Doped with Transition Metals

Download or read book DFT Study of Hydrogen Storage in Complex Hydrides Doped with Transition Metals written by Jiamei Yu and published by . This book was released on 2009 with total page 70 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis, two types of complex hydrides doped with transition metals as potential hydrogen storage materials were investigated using density functional theory (DFT) calculations. TiAl3 cluster as well as its interaction with hydrogen was characterized.

Book Hydrogen Storage Materials

Download or read book Hydrogen Storage Materials written by R. G. Barnes and published by . This book was released on 1988 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ames Laboratory, Iowa, USA

Book Hydrogen Storage

Download or read book Hydrogen Storage written by Jianjun Liu and published by BoD – Books on Demand. This book was released on 2012-09-05 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen, as an energy carrier, is widely regarded as a potential cost effective, renewable, and clean energy alternative to petroleum in order to mitigate energy shortage and global climate warming issues that the world is currently facing. However, storage of hydrogen is a substantial challenge, especially for applications in vehicles with fuel cells that use proton-exchange membranes (PEMs). Therefore, scientific community has started focusing their research activities on developing advanced hydrogen storage materials through nanotechnology. The book presents a wide variety of nanostructured materials used for application in hydrogen storage, covering chemical and physical storage approaches. The research topics include computational design, synthesis, processing, fabrication, characterization, properties and applications of nanomaterials in hydrogen storage systems.

Book A Survey on Complex Hydrides for Hydrogen Storage

Download or read book A Survey on Complex Hydrides for Hydrogen Storage written by Pier Paolo Prosini and published by LAP Lambert Academic Publishing. This book was released on 2013 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Survey of Complex Hydrides for Hydrogen Storage describes the efforts carried out in the last fifteen years in solid state storage of hydrogen in light weight metal hydrides (complex hydrides). In the author's intention it represents a comprehensive collection of the works published in the field of hydrogen storage in complex hydride. Several classes of complex hydrides have been described focusing the attention on alanates, borohydrides, and transition metal hydrides. A chapter was dedicated to composites (mixture of complex hydride) while the final chapter considered the production of hydrogen by hydrolysis of complex hydrides. The chemical physical characteristics of each compound were described comprising structural, kinetic and thermodynamic parameters and, of course, focusing the attention on the hydring and dehydring behaviour. A Survey of Complex Hydrides for Hydrogen Storage is written for postgraduate students and researchers in the field of hydrogen storage, R&D professionals and experts in energy storage.

Book DFT Investigations of Hydrogen Storage Materials

Download or read book DFT Investigations of Hydrogen Storage Materials written by Gang Wang and published by . This book was released on 2016 with total page 157 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Hydrogen serves as a promising new energy source having no pollution and abundant on earth. However the most difficult problem of applying hydrogen is to store it effectively and safely, which is smartly resolved by attempting to keep hydrogen in some metal hydrides to reach a high hydrogen density in a safe way. There are several promising metal hydrides, the thermodynamic and chemical properties of which are to be investigated in this dissertation. Sodium alanate (NaAlH4) is one of the promising metal hydrides with high hydrogen storage capacity around 7.4 wt. % and relatively low decomposition temperature of around 100 °C with proper catalyst. Sodium hydride is a product of the decomposition of NaAlH4 that may affect the dynamics of NaAlH4. The two materials with oxygen contamination such as OH− may influence the kinetics of the dehydriding/rehydriding processes. Thus the solid solubility of OH− groups (NaOH) in NaAlH5 and NaH is studied theoretically by DFT calculations. Magnesium boride [Mg(BH4)2] is has higher hydrogen capacity about 14.9 wt. % and the decomposition temparture [sic] of around 250 °C. However one flaw restraining its application is that some polyboron compounds like MgB12H12 preventing from further release of hydrogen. Adding some transition metals that form magnesium transition metal ternary borohydride [Mg[subscript a]TM[subscript b](BH4)[subscript c]] may simply the decomposition process to release hydrogen with ternary borides (Mg[subscript a]TM[subscript b]B[subscript c]). The search for the probable ternary borides and the corresponding pseudo phase diagrams as well as the decomposition thermodynamics are performed using DFT calculations and GCLP method to present some possible candidates"--Abstract, page iv.

Book Solid State Hydrogen Storage

Download or read book Solid State Hydrogen Storage written by Gavin Walker and published by Woodhead Publishing. This book was released on 2008-09-30 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen fuel cells are emerging as a major alternative energy source in transportation and other applications. Central to the development of the hydrogen economy is safe, efficient and viable storage of hydrogen. Solid-state hydrogen storage: Materials and chemistry reviews the latest developments in solid-state hydrogen storage. Part one discusses hydrogen storage technologies, hydrogen futures, hydrogen containment materials and solid-state hydrogen storage system design. Part two reviews the analysis of hydrogen interactions including structural characterisation of hydride materials, neutron scattering techniques, reliably measuring hydrogen uptake in storage materials and modelling of carbon-based materials for hydrogen storage. Part three analyses physically-bound hydrogen storage with chapters on zeolites, carbon nanostructures and metal-organic framework materials. Part four examines chemically-bound hydrogen storage including intermetallics, magnesium hydride, alanates, borohydrides, imides and amides, multicomponent hydrogen storage systems, organic liquid carriers, indirect hydrogen storage in metal ammines and technological challenges in hydrogen storage. With its distinguished editor and international team of contributors, Solid-state hydrogen storage: Materials and chemistry is a standard reference for researchers and professionals in the field of renewable energy, hydrogen fuel cells and hydrogen storage. Assesses hydrogen fuel cells as a major alternative energy source Discusses hydrogen storage technologies and solid-state hydrogen storage system design Explores the analysis of hydrogen interactions including reliably measuring hydrogen uptake in storage materials

Book Mechano chemical synthesis and characterisation of complex hydrides for solid state hydrogen storage

Download or read book Mechano chemical synthesis and characterisation of complex hydrides for solid state hydrogen storage written by Carine Rongeat and published by Cuvillier Verlag. This book was released on 2011-02-25 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen storage technologies are gaining interest for the development of new sustainable energy carriers instead of fossil fuel and for reducing the release of greenhouse gases. Solid state hydrogen storage in hydrides offers a good alternative for an efficient storage. In particular for mobile applications, a high gravimetric and volumetric storage capacity is necessary. These requirements have triggered a lot of interest for complex hydrides (metal alanates M(AlH4)x or borohydrides M(BH4)x). Here, reactive ball milling under hydrogen pressure has been developed for the synthesis of complex hydrides from their decomposition products. Two different kind of complex hydrides were selected: NaAlH4 as a model system and Ca(BH4)2 for its high hydrogen capacity. Sodium alanate NaAlH4 can store practically ca. 4wt% of hydrogen in the 100-150°C temperature range but this can be achieved only when adding a dopant to NaAlH4. In this work, different metal and metal chloride dopants for NaAlH4 are studied. The comparison of these dopants is used to better understand the catalytic and reaction mechanisms. Nevertheless, despite its good reversibility, NaAlH4 cannot be considered for mobile application because of its limited hydrogen capacity. Therefore, metal borohydrides have been considered more recently due to their high gravimetric and volumetric stored hydrogen densities. Among them, Ca(BH4)2 (11.5wt% H2) is interesting because of the predicted suitable thermodynamic properties. A new synthesis route has been investigated, using reactive ball milling of CaH2 and CaB6 under high hydrogen pressure (max 150 bar). The reversible decomposition/formation of Ca(BH4)2 was observed (60% yield) during cycling and was obtained using TiF3 as additive but cannot be achieved with TiCl3 as additive. The understanding of the difference observed when using these two additives is of crucial importance to further improve the kinetics of H2 sorption and the use of Ca(BH4)2 for hydrogen storage.

Book Tailoring the Kinetic Behavior of Hydride Forming Materials for Hydrogen Storage

Download or read book Tailoring the Kinetic Behavior of Hydride Forming Materials for Hydrogen Storage written by Juli√°n Puszkiel and published by . This book was released on 2018 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydride forming materials, i.e., binary, complex hydrides, and their mixtures, have been extensively investigated owing to their potential hydrogen storage properties. They possess high volumetric hydrogen capacity and relative high gravimetric hydrogen capacity. However, one of the main constraints for their practical application is their slow kinetic behavior. For this reason, enormous effort has been devoted to improve the hydrogenation and dehydrogenation rates. Several strategies have been developed for the enhancement of the kinetic behavior of the most relevant hydride forming materials such as MgH2, MBH4 (M¬†=¬†Li, Ca, Mg, Na, K), MNH2 (M¬†=¬†Li and Mg), MBH4¬†+¬†,ÄòMH2 (M¬†=¬†Li, Ca, Mg; ,ÄòM¬†=¬†Li, Mg, Ca), and MNH2¬†+¬†,ÄòMH2 (M¬†=¬†Li, Mg; ,ÄòM¬†=¬†Li). Tuning the kinetic behavior of these hydride forming materials involves different approaches and their combinations. The most relevant approaches are: (1) improving the microstructural refinement via mechanical milling, (2) doping with transition metal and transition metal compounds, (3) forming in situ catalyst, and (4) nanoconfining doped hydride forming materials. Herein, basic concepts about the chemical reaction for the hydride compound formation/decomposition, thermodynamics, kinetics, and applied strategies to enhance the kinetic behavior of hydride compounds and systems are comprehensively described and discussed.

Book Handbook of Hydrogen Storage

Download or read book Handbook of Hydrogen Storage written by Michael Hirscher and published by John Wiley & Sons. This book was released on 2010-04-26 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Owing to the limited resources of fossil fuels, hydrogen is proposed as an alternative and environment-friendly energy carrier. However, its potential is limited by storage problems, especially for mobile applications. Current technologies, as compressed gas or liquefied hydrogen, comprise severe disadvantages and the storage of hydrogen in lightweight solids could be the solution to this problem. Since the optimal storage mechanism and optimal material have yet to be identified, this first handbook on the topic provides an excellent overview of the most probable candidates, highlighting both their advantages as well as drawbacks. From the contents: ¿ Physisorption ¿ Clathrates ¿ Metal hydrides ¿ Complex hydrides ¿ Amides, imides, and mixtures ¿ Tailoring Reaction Enthalpies ¿ Borazan ¿ Aluminum hydride ¿ Nanoparticles A one-stop reference on all questions concerning hydrogen storage for physical and solid state chemists, materials scientists, chemical engineers, and physicists.

Book Hydrides for Energy Storage

Download or read book Hydrides for Energy Storage written by A. F. Andresen and published by Elsevier. This book was released on 2013-10-22 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrides for Energy Storage documents the proceedings of an International Symposium held in Geilo, Norway on August 14-19, 1977. This book discusses the thermodynamics of metal, alloy and intermetallic/hydrogen systems; localization and diffusion of hydrogen in lanthanum-nickel compounds; kinetics of hydrogen absorption and desorption; and nuclear magnetic resonance studies of metal hydrides. The calculated heats of formation of metal and metal alloy hydrides; hydrogen absorption into rare earth intermetallic compounds; plateau pressure of RE Ni5 and RE Co5 hydrides; and hydride formation of C14-type Ti alloy are also elaborated. This text likewise covers the mixing effects of two different types of hydrides; hydrogen storage electrode systems; and applications of metal hydrides. This publication is intended for chemists concerned with the fundamental properties of hydrides.

Book First Principles Based Simulation of Reaction Induced Phase Transition in Hydrogen Storage and Other Materials

Download or read book First Principles Based Simulation of Reaction Induced Phase Transition in Hydrogen Storage and Other Materials written by and published by . This book was released on 2014 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt: This major part of this proposal is simulating hydrogen interactions in the complex metal hydrides. Over the period of DOE BES support, key achievements include (i) Predicted TiAl3Hx as a precursor state for forming TiAl3 through analyzing the Ti-doped NaAlH4 and demonstrated its catalytic role for hydrogen release; (ii) Explored the possibility of forming similar complex structures with other 3d transition metals in NaAlH4 as well as the impact of such complex structures on hydrogen release/uptake; (iii) Demonstrated the role of TiAl3 in hydriding process; (iv) Predicted a new phase of NaAlH4 that links to Na3AlH6 using first-principles metadynamics; (v) Examined support effect on hydrogen release from supported/encapsulated NaAlH4; and (vi) Expanded research scope beyond hydrogen storage. The success of our research is documented by the peer-reviewed publications.

Book Electrochemical Energy Storage

Download or read book Electrochemical Energy Storage written by Jean-Marie Tarascon and published by John Wiley & Sons. This book was released on 2015-02-23 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: The electrochemical storage of energy has become essential in assisting the development of electrical transport and use of renewable energies. French researchers have played a key role in this domain but Asia is currently the market leader. Not wanting to see history repeat itself, France created the research network on electrochemical energy storage (RS2E) in 2011. This book discusses the launch of RS2E, its stakeholders, objectives, and integrated structure that assures a continuum between basic research, technological research and industries. Here, the authors will cover the technological advances as well as the challenges that must still be resolved in the field of electrochemical storage, taking into account sustainable development and the limited time available to us.

Book Compendium of Hydrogen Energy

Download or read book Compendium of Hydrogen Energy written by Ram Gupta and published by Woodhead Publishing. This book was released on 2016-02-03 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: Compendium of Hydrogen Energy, Volume 2: Hydrogen Storage, Distribution and Infrastructure focuses on the storage and transmission of hydrogen. As many experts believe the hydrogen economy will, at some point, replace the fossil fuel economy as the primary source of the world’s energy, this book details hydrogen storage in pure form, including chapters on hydrogen liquefaction, slush production, as well as underground and pipeline storage. Other sections in the book explore physical and chemical storage, including environmentally sustainable methods of hydrogen production from water, with final chapters dedicated to hydrogen distribution and infrastructure. Covers a wide array of methods for storing hydrogen, detailing hydrogen transport and the infrastructure required for transition to the hydrogen economy Written by leading academics in the fields of sustainable energy and experts from the world of industry Part of a very comprehensive compendium which looks at the entirety of the hydrogen energy economy

Book Hydrogen Storage Technologies

Download or read book Hydrogen Storage Technologies written by Mehmet Sankir and published by John Wiley & Sons. This book was released on 2018-07-31 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen storage is considered a key technology for stationary and portable power generation especially for transportation. This volume covers the novel technologies to efficiently store and distribute hydrogen and discusses the underlying basics as well as the advanced details in hydrogen storage technologies. The book has two major parts: Chemical and electrochemical hydrogen storage and Carbon-based materials for hydrogen storage. The following subjects are detailed in Part I: Multi stage compression system based on metal hydrides Metal-N-H systems and their physico-chemical properties Mg-based nano materials with enhanced sorption kinetics Gaseous and electrochemical hydrogen storage in the Ti-Z-Ni Electrochemical methods for hydrogenation/dehydrogenation of metal hydrides In Part II the following subjects are addressed: Activated carbon for hydrogen storage obtained from agro-industrial waste Hydrogen storage using carbonaceous materials Hydrogen storage performance of composite material consisting of single walled carbon nanotubes and metal oxide nanoparticles Hydrogen storage characteristics of graphene addition of hydrogen storage materials Discussion of the crucial features of hydrogen adsorption of nanotextured carbon-based materials

Book Nanomaterials for Hydrogen Storage Applications

Download or read book Nanomaterials for Hydrogen Storage Applications written by Fatih Şen and published by Elsevier. This book was released on 2020-09-09 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanomaterials for Hydrogen Storage Applications introduces nanomaterials and nanocomposites manufacturing and design for hydrogen storage applications. The book covers the manufacturing, design, characterization techniques and hydrogen storage applications of a range of nanomaterials. It outlines fundamental characterization techniques for nanocomposites to establish their suitability for hydrogen storage applications. Offering a sound knowledge of hydrogen storage application of nanocomposites, this book is an important resource for both materials scientists and engineers who are seeking to understand how nanomaterials can be used to create more efficient energy storage solutions. Assesses the characterization, design, manufacture and application of different types of nanomaterials for hydrogen storage Outlines the major challenges of using nanomaterials in hydrogen storage Discusses how the use of nanotechnology is helping engineers create more effective hydrogen storage systems

Book Hydrogen Storage Materials

Download or read book Hydrogen Storage Materials written by R.G. Barnes and published by Trans Tech Publications Ltd. This book was released on 1988-01-01 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials Science Forum Vol. 31

Book Hydrogen Storage in Metal and Complex Hydrides

Download or read book Hydrogen Storage in Metal and Complex Hydrides written by Filippo Agresti and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: