Cohesion and Structure of Surfaces (eBook)

K. Binder, M. Bowker, J.E. Inglesfield, P.J. Rous (Herausgeber)

eBook Download: PDF

1995 | 1. Auflage
389 Seiten
Elsevier Science (Verlag)
978-0-08-052932-5 (ISBN)

Infos

During the past fifteen years there has been a dramatic increase in the number of different surfaces whose structures have been determined experimentally. For example, whereas in 1979 there were only 25 recorded adsorption structures, to date there are more than 250. This volume is therefore a timely review of the state-of-the-art in this dynamic field.

Chapter one contains a compilation of the structural data base on surfaces within a series of tables that allows direct comparison of structural parameters for related systems. Experimental structural trends amongst both clean surfaces and adsorbate systems are highlighted and discussed.

The next chapter outlines the successes of local density functional theory in predicting the relaxations and reconstructions of clean metal and semiconductor surfaces, and the behaviour of adsorbates such as hydrogen, oxygen and alkali elements on metal surfaces, thereby explaining some of the experimental trends observed within the database. These ab initio density functional calculations are of ground state properties at the absolute zero of temperature.

Chapter three provides an introduction to finite temperature effects in a pedagogical review of current statistical mechanical treatments of phase transitions at surfaces, many of which display the prominent role of fluctuations or non-mean field behaviour.

The final chapter discusses the relationship of the reactivity of a surface to its morphology and composition, which is particularly relevant to a fundamental understanding of catalysis.

Inhalt

Cover 1
Contents 8
Preface 6
Chapter 1. Surface crystallography: the experimental data base 10
Abstract 12
1. Introduction 12
2. Metals 14
3. Semiconductors 48
4. Graphite and diamond surfaces 58
5. Compounds 59
6. Selected bibliography 61
Acknowledgements 62
References 62
Chapter 2. Theory of surface structure and bonding 72
Abstract 74
1. Introduction 74
2. Solving the Schrödinger equation at the surface 75
3. Forces and optimization 87
4. Clean metal surfaces 92
5. Adsorbates on metals 106
6. Semiconductor surfaces 117
7. Conclusions 124
Acknowledgements 124
References 124
Chapter 3. Phase transitions at surfaces 130
Abstract 131
1. Introduction : surface phase transitions versus transitions in the bulk 131
2. Phenomenological theory of phase transitions: abrief review 145
3. Surface effects on bulk phase transitions 236
4. Discussion 278
Acknowledgements 283
References 284
Chapter 4. Surface structure and reactivity 294
Abstract 295
1. Introduction 295
2. Thermodynamic considerations 301
3. Adsorption 306
4. Desorption 318
5. Surface diffusion 328
6. Surface reactions 333
7. Structure dependence of reactivity 346
8. Modification of surface reactivity: poisoning and promotion 350
9. Conclusions 358
References 358
Author index 362
Subject index 388

Produkt-Details

• Erscheint lt. Verlag: 18.12.1995
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Festkörperphysik
• Themenwelt: Technik ► Maschinenbau
• ISBN-10: 0-08-052932-1 / 0080529321
• ISBN-13: 978-0-08-052932-5 / 9780080529325