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Title Computational approaches to energy materials / edited by C. Richard A. Catlow, Aron Walsh, Alexey A. Sokol
Published Chichester, West Sussex, United Kingdom : Wiley, 2013

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Description 1 online resource
Contents Computational Techniques / C. Richard A. Catlow, Alexey A. Sokol and Aron Walsh -- Energy Generation: Solar Energy / Silvana Botti and Julien Vidal -- Energy Generation: Nuclear Energy / Dorothy Duffy -- Energy Storage: Rechargeable Lithium Batteries / M. Saiful Islam and Craig A.J. Fisher -- Energy Storage: Hydrogen / Viet-Duc Le and Yong-Hyun Kim -- Energy Conversion: Solid Oxide Fuel Cells: First-Principles Modeling of Elementary Processes / E.A. Kotomin, R. Merkle, Y.A. Mastrikov, M.M. Kuklja and J. Maier -- Energy Conversion: Heterogeneous Catalysis / Rutger A. van Santen, Evgeny A. Pidko and Emiel J.M. Hensen -- Energy Conversion: Solid-State Lighting / E. Kioupakis, P. Rinke, A. Janotti, Q. Yan and C.G. Van de Walle -- Toward the Nanoscale / Phuti E. Ngoepe, Rapela R. Maphanga and Dean C. Sayle
Summary "Outlining their strengths, limitations, contemporary, and future applications, Computational Approaches to Energy Materials is the first authoritative resource to present a broad survey of computational techniques for the development of energy materials. Printed in full color to aid interpretation of materials simulations, this accessible and much-needed text includes all current methodologies based on electronic structure, interatomic potential, and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research"-- Provided by publisher
"This authoritative but accessible text is the first book on the market presenting a broad survey of computational techniques for the development of energy materials, outlining their strengths, limitations, contemporary and future applications"-- Provided by publisher
Bibliography Includes bibliographical references and index
Notes Print version record and CIP data provided by publisher
Subject Energy storage -- Mathematical models
Electron distribution -- Mathematical models
Energy conversion -- Mathematical models
SCIENCE -- Chemistry -- Physical & Theoretical.
Electron distribution -- Mathematical models
Energy storage -- Mathematical models
Form Electronic book
Author Catlow, C. R. A. (Charles Richard Arthur), 1947- editor.
Walsh, Aron, editor
Sokol, Alexey A., editor
LC no. 2013007643
ISBN 9781118551448
1118551443
9781118551431
1118551435
9781118551455
1118551451
9781118551462
111855146X
9781299465251
1299465250