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.
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
Download or read book First Principles Modeling of Hydrogen Storage in Metal Hydride Systems written by and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The objective of this project is to complement experimental efforts of MHoCE partners by using state-of-the-art theory and modeling to study the structure, thermodynamics, and kinetics of hydrogen storage materials. Specific goals include prediction of the heats of formation and other thermodynamic properties of alloys from first principles methods, identification of new alloys that can be tested experimentally, calculation of surface and energetic properties of nanoparticles, and calculation of kinetics involved with hydrogenation and dehydrogenation processes. Discovery of new metal hydrides with enhanced properties compared with existing materials is a critical need for the Metal Hydride Center of Excellence. New materials discovery can be aided by the use of first principles (ab initio) computational modeling in two ways: (1) The properties, including mechanisms, of existing materials can be better elucidated through a combined modeling/experimental approach. (2) The thermodynamic properties of novel materials that have not been made can, in many cases, be quickly screened with ab initio methods. We have used state-of-the-art computational techniques to explore millions of possible reaction conditions consisting of different element spaces, compositions, and temperatures. We have identified potentially promising single- and multi-step reactions that can be explored experimentally.
Download or read book Hydrogen Storage Materials written by Süleyman Er and published by . This book was released on 2009 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Materials Issues In A Hydrogen Economy Proceedings Of The International Symposium written by Purusottam Jena and published by World Scientific. This book was released on 2009-05-20 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: This proceedings of the International Symposium on Materials Issues in a Hydrogen Economy addresses fundamental materials science issues and challenges concerning the production, storage, and use of hydrogen. The volume also deals with safety and education issues. The contributors — researchers in physics, chemistry, materials science, and engineering — share their ideas and results to delineate outstanding materials problems in a hydrogen economy and to guide the future research.
Download or read book Energy Efficiency and Renewable Energy Through Nanotechnology written by Ling Zang and published by Springer Science & Business Media. This book was released on 2011-09-06 with total page 937 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the rapid growth of nanotechnology research and the potential impact of the growing energy crisis, Energy Efficiency and Renewable Energy Through Nanotechnology provides comprehensive coverage of cutting-edge research in the energy-related fields of nanoscience and nanotechnology, which aim to improve energy efficiency and the generation of renewable energy. Energy Efficiency and Renewable Energy Through Nanotechnology tightly correlates nanotechnology with energy issues in a general, comprehensive way that makes it not only suitable as a desk reference for research, but also as a knowledge resource for the non-expert general public. Readers will find Energy Efficiency and Renewable Energy Through Nanotechnology useful in a variety of ways, ranging from the creation of energy policy, to energy research development, and to education in nanotechnology and its application to energy-related problems. It can also be used as a primary or supplementary textbook for energy-related courses for advanced undergraduate and graduate students.
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Download or read book The Fifth Pacific Rim International Conference on Advanced Materials and Processing November 2 5 2004 Beijing China written by Z.Y. Zhong and published by . This book was released on 2005 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2540 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Sustainable Hydrogen Production written by Ibrahim Dincer and published by Elsevier. This book was released on 2016-08-05 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sustainable Hydrogen Production provides readers with an introduction to the processes and technologies used in major hydrogen production methods. This book serves as a unique source for information on advanced hydrogen generation systems and applications (including integrated systems, hybrid systems, and multigeneration systems with hydrogen production). Advanced and clean technologies are linked to environmental impact issues, and methods for sustainable development are thoroughly discussed. With Earth’s fast-growing populations, we face the challenge of rapidly rising energy needs. To balance these we must explore more sustainable methods of energy production. Hydrogen is one key sustainable method because of its versatility. It is a constituent of a large palette of essential materials, chemicals, and fuels. It is a source of power and a source of heat. Because of this versatility, the demand for hydrogen is sure to increase as we aim to explore more sustainable methods of energy. Furthermore, Sustainable Hydrogen Production provides methodologies, models, and analysis techniques to help achieve better use of resources, efficiency, cost-effectiveness, and sustainability. The book is intellectually rich and interesting as well as practical. The fundamental methods of hydrogen production are categorized based on type of energy source: electrical, thermal, photonic, and biochemical. Where appropriate, historical context is introduced. Thermodynamic concepts, illustrative examples, and case studies are used to solve concrete power engineering problems. Addresses the fundamentals of hydrogen production using electrical, thermal, photonic, and biochemical energies Presents new models, methods, and parameters for performance assessment Provides historical background where appropriate Outlines key connections between hydrogen production methods and environmental impact/sustainable development Provides illustrative examples, case studies, and study problems within each chapter
Download or read book Atomic Layer Deposition for Semiconductors written by Cheol Seong Hwang and published by Springer Science & Business Media. This book was released on 2013-10-18 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offering thorough coverage of atomic layer deposition (ALD), this book moves from basic chemistry of ALD and modeling of processes to examine ALD in memory, logic devices and machines. Reviews history, operating principles and ALD processes for each device.
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2004 with total page 820 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Surface Science of Photocatalysis written by Jiaguo Yu and published by Academic Press. This book was released on 2020-04-14 with total page 602 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
Download or read book Macromolecular Self Assembly written by Laurent Billon and published by John Wiley & Sons. This book was released on 2016-08-25 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes techniques of synthesis and self-assembly of macromolecules for developing new materials and improving functionality of existing ones. Because self-assembly emulates how nature creates complex systems, they likely have the best chance at succeeding in real-world biomedical applications. • Employs synthetic chemistry, physical chemistry, and materials science principles and techniques • Emphasizes self-assembly in solutions (particularly, aqueous solutions) and at solid-liquid interfaces • Describes polymer assembly driven by multitude interactions, including solvophobic, electrostatic, and obligatory co-assembly • Illustrates assembly of bio-hybrid macromolecules and applications in biomedical engineering
Download or read book The Chemistry of the Actinide and Transactinide Elements 3rd ed Volumes 1 5 written by L.R. Morss and published by Springer Science & Business Media. This book was released on 2007-12-31 with total page 4059 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemistry of the Actinide and Transactinide Elements is a contemporary and definitive compilation of chemical properties of all of the actinide elements, especially of the technologically important elements uranium and plutonium, as well as the transactinide elements. In addition to the comprehensive treatment of the chemical properties of each element, ion, and compound from atomic number 89 (actinium) through to 109 (meitnerium), this multi-volume work has specialized and definitive chapters on electronic theory, optical and laser fluorescence spectroscopy, X-ray absorption spectroscopy, organoactinide chemistry, thermodynamics, magnetic properties, the metals, coordination chemistry, separations, and trace analysis. Several chapters deal with environmental science, safe handling, and biological interactions of the actinide elements. The Editors invited teams of authors, who are active practitioners and recognized experts in their specialty, to write each chapter and have endeavoured to provide a balanced and insightful treatment of these fascinating elements at the frontier of the periodic table. Because the field has expanded with new spectroscopic techniques and environmental focus, the work encompasses five volumes, each of which groups chapters on related topics. All chapters represent the current state of research in the chemistry of these elements and related fields.
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.
Download or read book Physics of Surfaces and Interfaces written by Harald Ibach and published by Springer Science & Business Media. This book was released on 2006-11-18 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level textbook covers the major developments in surface sciences of recent decades, from experimental tricks and basic techniques to the latest experimental methods and theoretical understanding. It is unique in its attempt to treat the physics of surfaces, thin films and interfaces, surface chemistry, thermodynamics, statistical physics and the physics of the solid/electrolyte interface in an integral manner, rather than in separate compartments. It is designed as a handbook for the researcher as well as a study-text for graduate students. Written explanations are supported by 350 graphs and illustrations.
