Verfügbarkeit: Theoretical surface science

Theoretical surface science: a microscopic perspective ; with 11 tables and 32 exercises

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Bibliographische Detailangaben
1. Verfasser:	Groß, Axel (VerfasserIn)
Format:	Buch
Sprache:	English
Veröffentlicht:	Berlin [u.a.] Springer 2003
Schriftenreihe:	Advanced texts in physics Physics and astronomy online library
Schlagworte:	Grenzflächenphysik Oberflächenphysik Grenzflächenchemie
Online-Zugang:	Inhaltsverzeichnis
Beschreibung:	X, 275 S. Ill., graph. Darst.
ISBN:	354043903X

Internformat

MARC


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Datensatz im Suchindex

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adam_text	CONTENTS 1. INTRODUCTION .............................................. 1 2. THE HAMILTONIAN ......................................... 5 2.1 THE SCHR¨ODINGER EQUATION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2.2 BORNOPPENHEIMER APPROXIMATION . . . . . . . . . . . . . . . . . . . . . . . 7 2.3 STRUCTURE OF THE HAMILTONIAN. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18 3. ELECTRONIC STRUCTURE METHODS AND TOTAL ENERGIES ......... 21 3.1 HARTREEFOCK THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 3.2 QUANTUM CHEMISTRY METHODS . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 3.3 DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36 3.4 PSEUDOPOTENTIALS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41 3.5 IMPLEMENTATIONS OF DENSITY FUNCTIONAL THEORY. . . . . . . . . . . . . 44 3.6 FURTHER MANY-ELECTRON METHODS. . . . . . . . . . . . . . . . . . . . . . . . . . 49 3.7 TIGHT-BINDING METHOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52 4. STRUCTURE AND ENERGETICS OF CLEAN SURFACES ............... 57 4.1 ELECTRONIC STRUCTURE OF SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . 57 4.2 METAL SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63 4.3 SEMICONDUCTOR SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72 4.4 IONIC SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 4.5 INTERPRETATION OF STM IMAGES . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 4.6 SURFACE PHONONS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92 5. ADSORPTION ON SURFACES ................................... 95 5.1 POTENTIAL ENERGY SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95 5.2 PHYSISORPTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 5.3 NEWNS*ANDERSON MODEL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104 5.4 ATOMIC CHEMISORPTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 5.5 EFFECTIVE MEDIUM THEORY AND EMBEDDED ATOM METHOD . . . . . 116 5.6 REACTIVITY CONCEPTS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123 X CONTENTS 5.7 ADSORPTION ON LOW-INDEX SURFACES . . . . . . . . . . . . . . . . . . . . . . . . 128 5.8 ADSORPTION ON PRECOVERED SURFACES . . . . . . . . . . . . . . . . . . . . . . . 136 5.9 ADSORPTION ON STRUCTURED SURFACES . . . . . . . . . . . . . . . . . . . . . . . . 139 5.10 REACTIONS ON SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144 6. GAS-SURFACE DYNAMICS .................................... 147 6.1 CLASSICAL DYNAMICS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147 6.2 QUANTUM DYNAMICS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149 6.3 PARAMETRIZATION OF AB INITIO POTENTIALS . . . . . . . . . . . . . . . . . . . . 154 6.4 SCATTERING AT SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157 6.5 ATOMIC AND MOLECULAR ADSORPTION ON SURFACES . . . . . . . . . . . . . 162 6.6 DISSOCIATIVE ADSORPTION AND ASSOCIATIVE DESORPTION . . . . . . . . . 171 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 189 7. KINETIC MODELLING OF PROCESSES ON SURFACES ............... 191 7.1 DETERMINATION OF RATES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 191 7.2 DIFFUSION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 195 7.3 KINETIC LATTICE GAS MODEL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 198 7.4 KINETIC MODELLING OF ADSORPTION AND DESORPTION. . . . . . . . . . . . 199 7.5 GROWTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 205 7.6 REACTION KINETICS ON SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . 217 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 221 8. ELECTRONICALLY NON-ADIABATIC PROCESSES .................... 225 8.1 DETERMINATION OF ELECTRONICALLY EXCITED STATES . . . . . . . . . . . . . 225 8.2 ELECTRONIC EXCITATION MECHANISMS AT SURFACES . . . . . . . . . . . . . . 228 8.3 ELECTRONIC FRICTION EFFECTS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 229 8.4 REACTION DYNAMICS WITH ELECTRONIC TRANSITIONS . . . . . . . . . . . . . 232 8.5 ELECTRONIC TRANSITIONS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 234 EXERCISES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 239 9. PERSPECTIVES .............................................. 241 9.1 SOLID-LIQUID INTERFACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 241 9.2 NANOSTRUCTURED SURFACES. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 243 9.3 BIOLOGICALLY RELEVANT SYSTEMS . . . . . . . . . . . . . . . . . . . . . . . . . . . . 244 9.4 INDUSTRIAL APPLICATIONS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 246 REFERENCES .................................................... 249 INDEX ......................................................... 271
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spellingShingle	Groß, Axel Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises Grenzflächenphysik (DE-588)4452968-5 gnd Oberflächenphysik (DE-588)4134881-3 gnd Grenzflächenchemie (DE-588)4246080-3 gnd
subject_GND	(DE-588)4452968-5 (DE-588)4134881-3 (DE-588)4246080-3
title	Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises
title_auth	Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises
title_exact_search	Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises
title_full	Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises Axel Groß
title_fullStr	Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises Axel Groß
title_full_unstemmed	Theoretical surface science a microscopic perspective ; with 11 tables and 32 exercises Axel Groß
title_short	Theoretical surface science
title_sort	theoretical surface science a microscopic perspective with 11 tables and 32 exercises
title_sub	a microscopic perspective ; with 11 tables and 32 exercises
topic	Grenzflächenphysik (DE-588)4452968-5 gnd Oberflächenphysik (DE-588)4134881-3 gnd Grenzflächenchemie (DE-588)4246080-3 gnd
topic_facet	Grenzflächenphysik Oberflächenphysik Grenzflächenchemie
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