Chemical bonds outside metal surfaces:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
New York u.a.
Plenum Pr.
1986
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| Schriftenreihe: | Physics of solids and liquids
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XII, 284 S. graph. Darst. |
| ISBN: | 0306420597 |
Internformat
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Datensatz im Suchindex
| _version_ | 1804114954876354560 |
|---|---|
| adam_text | CHEMICAL BONDS OUTSIDE METAL SURFACES NORMAN H. MARCH COULSON PROFESSOR
OF THEORETICAL CHEMISTRY UNIVERSITY OF OXFORD OXFORD, ENGLAND PLENUM
PRESS * NEW YORK AND LONDON CONTENTS 1. BACKGROUND, PHENOMENOLOGY, AND
MOTIVATION L 1.1. CHEMISORPTION IN LONIC AND COVALENT LIMITS 2 1.1.1.
IONIC BOND FORMATION 3 1.1.2. COVALENTLY BONDED CASES 3 1.2. KINETICS OF
ADSORPTION AND DESORPTION 5 1.3. THERMODYNAMICS OF ADSORPTION 8 1.3.1.
LANGMUIR ISOTHERM 8 1.3.2. MULTILAYER ADSORPTION THEORY 11 1.4. REACTION
MECHANISMS OUTSIDE SURFACES 12 1.4.1. LANGMUIR-HINSHELWOOD AND
RIDEAL-ELEY MECHANISMS . . . 13 1.4.2. REDHEAD EQUATION FOR DESORPTION
RATE 13 1.5. CASE HISTORY OF CATALYTIC HYDROGENATION OF CARBON MONOXIDE
. . . 15 1.5.1. THERMODYNAMICS 15 1.5.2. CHEMISORPTION STUDIES OF CO AND
H 2 17 1.5.3. SELECTIVITY 18 1.5.4. MECHANISM 20 2. DIATOMIC MOLECULES
23 2.1. PHYSISORBED DIATOMS WITH WELL-DEFINED CORES 23 2.1.1. IMAGE
THEORY OF THE DISPERSION FORCE 25 2.2. INTERACTION BETWEEN TWO HYDROGEN
ATOMS 28 2.2.1. PHYSISORBED H 2 28 2.2.2. PROTONS EMBEDDED IN THE
SPILL-OUT METAL ELECTRON CLOUD . . 31 2.3. INTERACTION ENERGY:
TIGHT-BINDING MODEL 34 2.3.1. RANGE OF VALIDITY: ANISOTROPIE EFFECTS,
ADATOM-SUBSTRATE COUPLING, AND ENERGY-LEVEL MATCHING 36 2.4. MOLECULAR
VERSUS DISSOCIATIVE ADSORPTION 38 VII VIII CONTENTS 2.4.1. PAULING S
TREATMENT OF BOND ENERGIES 38 2.4.2. BONDING AND VALENCE IN TRANSITION
METALS 39 2.4.3. ADMOLECULE BONDING TO A METAL SURFACE 41 2.4.4.
CHEMISORPTION OF N 2 , 0 2 , CO, AND NO 42 2.5. DETAILED BONDING STUDIES
47 2.5.1. NITROGEN ON METAL SURFACES 47 2.5.2. CLUSTER MODELING OF NO ON
NI 48 2.5.3. LIMITATIONS AND CONVERGENCE PROPERTIES OF CLUSTER
CALCULATIONS 49 2.6. ELECTRONICALLY EXCITED STATES OF CHEMISORBED
DIATOMS 50 2.6.1. EELS STUDY OF WEAKLY ADSORBED SYSTEMS 51 2.6.2.
SUMMARY OF ASSIGNMENTS 52 2.7. ORIENTATION OF MOLECULAR ADSORBATES 52
2.8. TEMPERATURE EFFECTS, AND COMPARISON BETWEEN THEORY AND EXPERIMENT
55 3. CONFORMATION AND ELECTRONIC STRUCTURE OF POLYATOMIC MOLECULES 57
3.1. CONFORMATION OF A WATER MOLECULE OUTSIDE A METAL SURFACE 58 3.1.1.
VALENCE THEORY OF FREE-SPACE CONFORMATION 59 3.1.2. INTERACTION ENERGY
IN A WATER MOLECULE 59 3.1.3. INTRODUCTION OF THE IMAGE POTENTIAL 63
3.1.4. EFFECT OF THE SURFACE ON HYBRIDIZATION 65 3.1.5. RESULTS AND
DISCUSSION 67 3.2. CONFORMATION OF NH 3 AND C 2 H 4 MOLECULES 70 3.2.1.
INTERACTION BETWEEN LONE PAIR AND IMAGE FOR NH 3 . . . . 70 3.2.2.
ADSORPTION OF ETHYLENE ON A PLANAR METAL SURFACE . . . . 72 3.2.3.
CLUSTER APPROACH TO THE ELECTRONIC-LEVEL STRUCTURE OF ETHYLENE ON
NI(100) 75 3.3. MOLECULAR VERSUS DISSOCIATIVE ADSORPTION OF NH, ON
TRANSITION-METAL SURFACES 75 3.4. ELECTRONIC STRUCTURE AND CONFORMATION
OF ETHENE ON TRANSITION- AND NOBLE-METAL SURFACES 76 3.4.1. CONFORMATION
OF ETHENE ON METAL SURFACES 77 3.4.2. TIGHT-BINDING MODEL OF CR-LEVELS
OF ADSORBED ETHENE . . . 80 3.4.3. EFFECT OF THE SURFACE ON CR-LEVELS 80
3.4.4. 7R-ORBITAL BONDING AND CHARGE TRANSFER BETWEEN MOLECULE AND METAL
82 3.5. INTERACTION BETWEEN ADSORBATES 87 3.5.1. HYDROGEN-BONDED
CLUSTERS OF H 2 0 87 CONTENTS X 3.5.2. SOME ORGANIC MOLECULES 87 3.6.
ELECTRONIC EXCITED STATES OF CHEMISORBED POLYATOMIC MOLECULES 88 4.
DYNAMICS OF ADPARTICIES AND NEUTRON INELASTIC SCATTERING 91 4.1.
PRINCIPLES OF NEUTRON SCATTERING FROM ADSORBED MOLECULES 92 4.2.
COMPARISON WITH OTHER SURFACE TECHNIQUES 92 4.3. DIFFUSION MEASUREMENTS
, * * 93 4.4. THEORY 94 4.4.1. INFLUENCE OF DIFFUSION ON SCATTERING
CROSS-SECTION . . . . 95 4.5. ELECTRONIC AND VIBRATION-ROTATION SPECTRA
OF ADSORBED MOLECULES 96 4.6. ADSORBATE FREQUENCY SHIFTS 97 4.6.1.
INFLUENCE OF N-FOLD COORDINATION 97 4.6.2. INTENSITY IN LOCAL MODE AT
ADSORBATE SITE 100 4.7. THEORETICAL FRAMEWORK FOR INTERPRETING NEUTRON
INELASTIC SCATTERING FROM COVERED SURFACES 102 4.7.1. DESCRIPTION OF THE
MODEL 103 4.7.2. COUPLING OF AN ADPARTICLE TO A TWO-DIMENSIONAL SQUARE
LATTICE 105 4.7.3. INTERPRETATION OF NEUTRON INTENSITY FOR HYDROGEN ON
PLATINUM 107 4.8. THEORY OF SURFACE DIFFUSION 108 4.9. VIBRATION
EXCITATION IN MOLECULE-SURFACE COLLISIONS DUE TO TEMPORARY NEGATIVE
MOLECULAR-ION FORMATION 109 4.10. ADPARTICLE DYNAMICS: KRAMERS EQUATION
IN A METALLIC MEDIUM 110 4.10.1. ELECTRONIC CONTRIBUTION TO THE
SURFACE-FRICTION CONSTANT 112 4.10.2. INTRODUCTION OF INHOMOGENEITY AT A
METAL SURFACE . . . . 113 4.10.3. LONG-RANGE DYNAMIC INTERACTION BETWEEN
ADATOMS 117 5. MOLECULAR DESORPTION 121 5.1. KRAMERS THEORY GENERALIZED
TO DESORPTION FROM SOLID SURFACES 122 5.1.1. DERIVATION OF THE RATE
EQUATION 124 X CONTENTS 5.1.2. RATE OF DESORPTION OF ATOMS 125 5.1.3.
RATE OF DESORPTION OF MOLECULES 127 5.1.4. RESULTS: ATOMIC AND MOLECULAR
DESORPTION 129 5.2. TRANSITION-STATE THEORY APPLIED TO DESORPTION FROM
SOLID SURFACES: AMMONIA ON NI(L 11) 132 5.2.1. RATE OF MOLECULAR
DESORPTION 133 5.3. MICROSCOPIC THEORIES 135 5.3.1. ONE-PHONON
APPROXIMATION 136 5.3.2. ATOM-PHONON INTERACTION 139 5.4.
QUANTUM-STATISTICAL THEORY OF PHYSISORPTION 144 5.4.1. FLASH DESORPTION
145 5.4.2. ISOTHERMAL DESORPTION 148 5.4.3. LIMITATIONS OF THE
RELAXATION-TIME APPROACH TO DESORPTION 149 5.5. COVERAGE-DEPENDENT
REGIME 150 5.5.1. MEAN-FIELD THEORY OF PHYSISORPTION 151 5.5.2. KRAMERS
THEORY 154 5.6. DESORPTION INDUCED BY ELECTRONIC TRANSITIONS 161 5.6.1.
MENZEL-GOMER-REDHEAD MODEL 161 5.6.2. KNOTEK-FEIBELMAN MECHANISM OF
INITIAL EXCITATION 166 5.6.3. STRUCTURAL INFORMATION FROM
PHOTON-STIMULATED DESORPTION 167 5.6.4. THEORY OF ANGLE-RESOLVED
ELECTRON- AND PHOTON-STIMULATED DESORPTION 168 5.6.5.
ELECTRON-STIMULATED MOLECULAR DESORPTION FROM METALS 170 6. CATALYSIS
171 6.1. SOME DEFINITIONS AND CONCEPTS 172 6.1.1. SPECIFIC RATE 172
6.1.2. REACTION PROBABILITY 173 6.1.3. ELEMENTARY REACTION STEPS 175
6.2. XPS STUDIES OF DESORPTION AND DISSOCIATION PROCESSES 176 6.2.1.
PHOTOELECTRON SPECTROSCOPY IN RELATION TO HETEROGENEOUS CATALYSIS 177
6.3. COMPENSATION EFFECT 179 6.3.1. THEORETICAL BASIS 181 6.3.2.
COMPENSATION TEMPERATURE T C 184 6.4. RELEVANCE OF WOODWARD-HOFFMANN
RULES TO SINGLE-CRYSTAL CATALYSTS 185 CONTENTS XI 6.4.1. CLASSIFICATION
OF SYMMETRY-ALLOWED OR FORBIDDEN REACTIONS 186 6.4.2.
SYMMETRY-CONSERVATION RULES 187 6.4.3. USE OF A CORRELATION DIAGRAM IN
UNDERSTANDING THE ACTIVATION BARRIER 187 6.4.4. CAN SYMMETRY EFFECTS
ALONE EXPLAIN NITRIC-OXIDE DECOMPOSITION ON PLATINUM? 190 6.5.
ELECTRONIC STRUCTURE STUDY OF A POISONED CATALYST SURFACE . . . . 192
6.6. CHEMICAL OSCILLATIONS 193 6.6.1. NATURE OF RATE EQUATIONS 194
APPENDIXES 199 1.1. SURFACE CHARACTERIZATION TECHNIQUES USED TO
DETERMINE STRUC- TURE AND COMPOSITION OF SOLID SURFACES 199 2.1. DENSITY
MATRIX AND LINEAR-RESPONSE FUNCTION OF THE INFINITE- BARRIER MODEL OF A
METAL SURFACE 200 2.2. INFLUENCE OF FERMI-SURFACE TOPOLOGY ON ASYMPTOTIC
DISPLACED- CHARGE ROUND ADATOMS 202 2.3. CORRELATION EFFECTS FOR
HYDROGEN CHEMISORBED ON TRANSITION METALS 203 2.4. LIFETIMES OF EXCITED
STATES OF MOIECULES WELL OUTSIDE METAL SURFACES: A MODEL CALCULATION 205
3.1. BONDING OF WATER MOIECULES TO PT: A MODEL OF THE ICE-D-ELECTRON
METAL INTERFACE 209 3.2. PARAMETRIZATION OF THE TIGHT-BINDING MODEL OF
ETHENE 212 3.3. PARAMETRIZATION OF THE ANDERSON HAMILTONIAN DESCRIBING
THE 7R-ENERGY LEVELS OF THE FREE ETHENE MOLECULE 213 3.4. NONMAGNETIC
HARTREE-FOCK SOLUTION TO THE HAMILTONIAN REPRE- SENTING CHEMISORPTION OF
THE 7R-ELECTRONS ON A D-METAL 215 4.1. THREE-DIMENSIONAL TREATMENT OF
THE ESCAPE OF A BROWNIAN PARTICLE FROM A WELL 216 4.2. DYNAMICS OF A
BROWNIAN PARTICLE IN A FLUID: DERIVATION OF STOCHASTIC ELEMENTS 219 4.3.
VARIATIONAL PRINCIPLE FOR THE OPTIMUM REACTION COORDINATE IN
DIFFUSION-CONTROLLED REACTIONS 225 4.4. ANISOTROPIE SCREENING OF AN
ADATOM NEAR A METAL SURFACE . . . 229 5.1. SPIN FLUCTUATIONS AND
DESORPTION OF HYDROGEN FROM PARAMAGNE- TIC METALS 234 5.2. ANOMALIES IN
ADSORPTION EQUILIBRIUM NEAR CRITICAL POINTS OF A SUBSTRATE 235 XII
CONTENTS 6.1. SYMMETRY RULES BASED ON THE SURFACE ELECTRONIC STRUCTURE
OF VARIOUS PLATINUM SURFACES 239 6.2. LOCAL DENSITY OF STATES,
SCATTERING THEORY, AND THE T-MATRIX . . . 242 6.3. ANALYSIS OF RATE
EQUATIONS DESCRIBING CHEMICAL OSCILLATIONS . . . 246 6.4. PROPOSED
REACTION SEQUENCE FOR FISCHER-TROPSCH SYNTHESIS . . . . 251 6.5.
DISSOCIATIVE CHEMISORPTION * A PRIMITIVE SURFACE CHEMICAL PROCESS 252
6.6. NONLINEAR RATE EQUATIONS AND THE COMPENSATION EFFECT 254 NOTES
ADDED IN PROOF 259 REFERENCES 267 INDEX 279
|
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| id | DE-604.BV000500662 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T15:14:55Z |
| institution | BVB |
| isbn | 0306420597 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-000310360 |
| oclc_num | 471787273 |
| open_access_boolean | |
| owner | DE-12 DE-384 DE-355 DE-BY-UBR DE-11 |
| owner_facet | DE-12 DE-384 DE-355 DE-BY-UBR DE-11 |
| physical | XII, 284 S. graph. Darst. |
| publishDate | 1986 |
| publishDateSearch | 1986 |
| publishDateSort | 1986 |
| publisher | Plenum Pr. |
| record_format | marc |
| series2 | Physics of solids and liquids |
| spelling | March, Norman H. Verfasser aut Chemical bonds outside metal surfaces Norman H. March New York u.a. Plenum Pr. 1986 XII, 284 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Physics of solids and liquids Chemical bonds Metals - Surfaces Surface chemistry Surfaces (Physics) Metalloberfläche (DE-588)4169612-8 gnd rswk-swf Chemische Bindung (DE-588)4009843-6 gnd rswk-swf Oberflächenchemie (DE-588)4126166-5 gnd rswk-swf Metalloberfläche (DE-588)4169612-8 s Chemische Bindung (DE-588)4009843-6 s DE-604 Oberflächenchemie (DE-588)4126166-5 s GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000310360&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | March, Norman H. Chemical bonds outside metal surfaces Chemical bonds Metals - Surfaces Surface chemistry Surfaces (Physics) Metalloberfläche (DE-588)4169612-8 gnd Chemische Bindung (DE-588)4009843-6 gnd Oberflächenchemie (DE-588)4126166-5 gnd |
| subject_GND | (DE-588)4169612-8 (DE-588)4009843-6 (DE-588)4126166-5 |
| title | Chemical bonds outside metal surfaces |
| title_auth | Chemical bonds outside metal surfaces |
| title_exact_search | Chemical bonds outside metal surfaces |
| title_full | Chemical bonds outside metal surfaces Norman H. March |
| title_fullStr | Chemical bonds outside metal surfaces Norman H. March |
| title_full_unstemmed | Chemical bonds outside metal surfaces Norman H. March |
| title_short | Chemical bonds outside metal surfaces |
| title_sort | chemical bonds outside metal surfaces |
| topic | Chemical bonds Metals - Surfaces Surface chemistry Surfaces (Physics) Metalloberfläche (DE-588)4169612-8 gnd Chemische Bindung (DE-588)4009843-6 gnd Oberflächenchemie (DE-588)4126166-5 gnd |
| topic_facet | Chemical bonds Metals - Surfaces Surface chemistry Surfaces (Physics) Metalloberfläche Chemische Bindung Oberflächenchemie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000310360&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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