Physics of surface, interface and cluster catalysis /

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"Version: 20160301"--Title page verso.Includes bibliographical references.Preface -- 1. The reactivity of metals based on delocalized electronic states -- 1.1. Introduction -- 1.2. The d-band model -- 1.3. The self-consistent model of chemisorption on surfaces -- 1.4. When the surface electronic properties change : models based on Newns-Anderson -- 1.5. The LDOSEF model -- 1.6. Cluster reactivity and the link to surface models -- 1.7. Summary -- 1.8. Future prospects2. Physisorption at surfaces -- 2.1. Introduction -- 2.2. Chemisorption vs physisorption -- 2.3. Nonlocal correlation and van der Waals interaction from first principles -- 2.4. Surfaces and adsorbates -- 2.5. Conclusions3. The effect of physisorbed states on H2 nuclear spin conversion on metal surfaces -- 3.1. Introduction -- 3.2. Ortho and para H2 -- 3.3. Ortho-para conversion of H2 -- 3.4. Ortho and para hydrogen molecule on metal surfaces -- 3.5. Future prospects -- Appendix. Hyperfine interactions4. First principles-based kinetic Monte Carlo simulation in catalysis -- 4.1. Introduction -- 4.2. Rare event dynamics and the timescale problem -- 4.3. The kinetic Monte Carlo trajectory and coarse-grained time evolution -- 4.4. Algorithms and implementation -- 4.5. Applying the kinetic Monte Carlo to heterogeneous catalysis -- 4.6. Conclusion -- 4.7. Future prospects5. Quantum states of a hydrogen atom on a solid surface and in a solid subsurface -- 5.1. Introduction -- 5.2. Quantum behavior of a hydrogen atom on a metal surface -- 5.3. Quantum states of hydrogen atom motion on the Pd(111) surface and in the subsurface -- 5.4. Future prospects6. Quantum adsorption states of small mass atoms on solid surfaces -- 6.1. Introduction -- 6.2. Ab initio simulation method for small mass atom motion -- 6.3. Quantum simulation results for small atom motion on several solid surfaces -- 6.4. Summary -- 6.5. Future prospects -- 7 Afterword.Physics of Surface, Interface and Cluster Catalysis reviews the fundamental physics of catalysis from simple surface models through to complex cluster and catalytic structures. It is the first book to provide a coherent collection of the physics of catalysis, and shows how physics has provided and continues to provide clarity and insight into many complex catalysis problems, reviewing both recent developments and prospects for future developments in the field.Upper-level students and researchers looking for a coherent overview of the latest in the physics of catalysis.Also available in print.Mode of access: World Wide Web.System requirements: Adobe Acrobat Reader.Professor Hideaki Kasai is a renowned researcher in the field of condensed matter physics as exemplified by his excellent publications and years of international experience. His research studies in this field center on low-temperature physics with several pioneering works in strongly correlated systems, elementary excitations, reactions on surfaces and interfaces and nanomaterials. Dr. Mary Clare Sison Esca?ano is an awarded early career researcher. She pioneered research on magnetism in chemical reactions and biological systems at atomic level. Dr. Esca?ano is currently a tenure-track assistant professor at the University of Fukui, Japan. Prior to this, she received her PhD in 2012 from the Department of Applied Physics, Osaka University, Japan, where she investigated spin effects in surface reactions using first-principles methods.Title from PDF title page (viewed on April 1, 2016).

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Series Title

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Call Number

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Publisher

: .,

Collation

1 online resource (various pagings) :illustrations (some color).

Language

English

ISBN/ISSN

9780750311649

Classification

541.395

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Carrier Type

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Edition

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Subject(s)

Surfaces (Physics)
SCIENCE / Physics / Condensed Matter.
Catalysis.

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Statement of Responsibility

[edited by] Hideaki Kasai, Mary Clare Sison Esca?ano.

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