Elsevier S & T

Oxide Surfaces

Woodruff, D. P.

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Table of contents
  • Cover
  • Contentsxi
  • Prefaceix
  • Chapter 1. Metal oxide surfaces and interfaces: concepts and issues1
  • 1. Introduction1
  • 2. Interesting bulk properties2
  • 3. From bulk to surface9
  • 4. Electrons on oxide surfaces16
  • 5. Oxide–gas, –liquid and –solid interfaces21
  • 6. Adsorption on metal oxides25
  • 7. Endnote31
  • Acknowledgements33
  • References33
  • Chapter 2. Clean oxide surfaces: a theoretical review35
  • 1. Introduction35
  • 2. Numerical methods36
  • 3. Review of literature44
  • 4. Discussion of non-polar stoichiometric surfaces59
  • 5. Non-stoichiometric surfaces69
  • 6. Polar surfaces75
  • 7. Conclusion85
  • References86
  • Chapter 3. Theory of point defects at the MgO surface94
  • 1. Introduction94
  • 2. Quantum chemical description of ionic crystals95
  • 3. Role and nature of defects at the MgO surface101
  • 4. Conclusions129
  • Acknowledgements129
  • References130
  • Chapter 4. Theory of physical and chemical behaviour of transition metal oxides: vanadium and molybd136
  • 1. Introduction136
  • 2. Vanadium oxides139
  • 3. Molybdenum oxides168
  • Synopsis190
  • Acknowledgement191
  • References191
  • Chapter 5. Geometry of adsorbates on metal oxide surfaces199
  • 1. Introduction199
  • 2. Magnesium oxide – MgO202
  • 3. Nickel oxide –NiO213
  • 4. Titanium dioxide – TiO2219
  • 5. Aluminium oxide – Al2O3233
  • 6. Chromium oxide – Cr2O3235
  • 7. Iron oxide – FexOy236
  • 8. Zinc oxide-ZnO238
  • 9. Copper (I) oxide - Cu2O249
  • Acknowledgements249
  • References250
  • Chapter 6. Atomic structure of oxide surfaces by surface X-ray scattering256
  • 1. Introduction256
  • 2. X-ray scattering by surfaces258
  • 3. Surfaces of oxide single crystals262
  • 4. Structure of thin oxides films289
  • 5. Conclusions and future outlook294
  • Acknowledgements295
  • References296
  • Chapter 7. Structure of thin epitaxial oxide films and their surfaces301
  • 1. Introduction301
  • 2. Oxidation chemistry and its effect on surface and film structure303
  • 3. Lattice mismatch and residual strain fields313
  • 4. Crystal symmetry mismatch316
  • 5. Conclusions320
  • Acknowledgements323
  • References323
  • Chapter 8. Molecules on well-structured oxide surfaces326
  • 1. Introduction326
  • 2. Surfaces of oxides with rocksalt structure327
  • 3. Surfaces of oxides with corundum structure341
  • 4. Surfaces of oxides with rutile structure359
  • 5. Surfaces of oxides with layered structures363
  • 6. Synopsis366
  • References367
  • Chapter 9. Atomic-scale chemical and electronic structure studies of well-defined metal oxide surfac373
  • 1. Introduction373
  • 2. Magnesium oxide374
  • 4. Thin-film alumina and mixed-metal oxides392
  • 5. High pressure STM studies of supported gold clusters399
  • 6. Summary404
  • Acknowledgements405
  • Reference405
  • Chapter 10. Principles of reactivity from studies of organic reactions on model oxide surfaces409
  • 1. Introduction and scope409
  • 2. Titanium dioxide as a model for transition metal oxides409
  • 3. Case study I: formic acid as a probe of surface properties412
  • 4. Case study II: thermal and photoreactions of methanol on TiO2424
  • 5. Summary439
  • References440
  • Chapter 11. The structure of TiO2 surfaces443
  • 1. Introduction443
  • 2. Bulk structures444
  • 3. The structure of the rutile TiO2(110) surface446
  • 4. The structure of the rutile (100) surface470
  • 5. Rutile (001)474
  • 6. Vicinal surfaces475
  • 7. Anatase surfaces476
  • 8. Conclusion479
  • References480
  • Chapter 12. The anisotropy of metal oxide surface properties485
  • 1. Introduction485
  • 2. Surface character-property relationships486
  • 3. Factors determining surface morphology490
  • 4. Factors influencing surface stoichiometry496
  • 5. Reaction anisotropics on M0O3 surfaces501
  • 6. The orientation dependence of the photochemical reactivity of TiO2506
  • 7. Conclusion510
  • Acknowledgement510
  • References511
  • Chapter 13. Vibrational spectroscopy of oxide surfaces514
  • 1. Introduction514
  • 2. Theoretical and experimental considerations515
  • 3. Surface vibrational modes of the substrate530
  • 4. Vibrational spectroscopy of adsorbates532
  • 5. Vibrational spectroscopy of adsorbates on oxide supported metals539
  • References546
  • Chapter 14. Electronic structure of oxide surfaces550
  • 1. Introduction550
  • 2. Electronic structure of oxides: general considerations551
  • 3. Experimental techniques for probing electronic structure of oxides554
  • 4. Selected case histories558
  • 5. Concluding remarks598
  • References598
  • Chapter 15. Desorption induced by electronic transitions, DIET, at oxide surfaces608
  • 1. Historical introduction to ESD and PSD608
  • 2. Ejection mechanisms: the Feibelman-Knotek model614
  • 3. DIET at oxide surfaces617
  • 4. Adsorption and reactivity at oxides by DIET625
  • 5. Summary of relevant kinetics parameters638
  • 6. Conclusions638
  • Acknowledgements638
  • Index645
Book details
  • Vendor Elsevier S & T
  • SKU 9780444507457
  • ISBN-13 9780080538310
  • Author Woodruff, D. P.
  • Category Science
  • Subject Physical & Theoretical

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The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.