The Chemical Physics of Solid Surfaces

Preface

Chapter 1 Adsorbate-Adsorbate Interactions on Metal Surfaces


1. Introduction


2. The Effective Medium Theory


3. The Direct Electrostatic Interaction


3.1 Interactions Between Atomic Adsorbates


3.2 The Interaction Between a Pre-Adsorbed Atom and an Adsorbing Molecule - Poisoning and Promotion


3.3 Adsorbates in an External Electrostatic Field


3.4 Vibrational Frequency Shifts


4. Direct and Indirect Hybridization Effects


4.1 Interactions in Metal Overlayers


4.2 Indirect Interactions Between Adsorbed Gas Atoms and Molecules


5. The elastic Interaction Between Adsorbates


6. Concluding Remarks

Acknowledgments

References

Chapter 2 Theory of the Coadsorption Of H2O And CO With K on the Pt(111) Surface


1. Introduction


2. Adsorption of H2O on Pt(111)


3. Adsorption of CO on Pt(111)


4. Adsorption of K on Pt(111)


5. Qualitative Aspects of the Coadsorption of K with H2O and CO


6. Coadsorption of K and H2O on Pt(111)


7. Coadsorption of K and CO on Pt(111)

Appendix: Charge Transfer in Closed Shell Systems

References

Chapter 3 Interaction Between Alkali Metal Adsorbates and Adsorbed Molecules (CO; H2O)


1. Introduction


2. Model Experiments of Catalyst Promotion


3. Coadsorption: Alkali Metal and CO


3.1 Sticking Coefficient and Adsorption Energy of CO


3.2 Electronic Interaction


3.3 CO Orientation


3.4 Molecular Versus Dissociative CO Adsorption


3.5 Short Range Versus Long Range Interaction


4. Coadsorption: Alkali Metals and H2O


4.1 Sticking Coefficient and Adsorption Energy


4.2 H2O Dissociation


4.3 H2O Orientation


5. Coadsorption of Alkali Metals and Other Molecules

Acknowledgments

References

Chapter 4 Coadsorption of Carbon Monoxide and Hydrogen on Metal Surfaces


1. Introduction


2. CO + H on Iron


2.1 Fe{100}: TDS, LEED and XPS


2.2 Fe{111}: XPS and UPS


3. CO + H on Iridium


3.1 Ir{110}: TDS and Δφ


4. CO + H on Nickel


4.1 Ni{100}: TDS, LITD, HREELS, RAIRS, LEED, NEXAFS, Δφ, UPS, XPS, ELS, IPE and FYNES


4.2 Ni{110}: TDS, LEED, HREELS, RAIRS, ARUPS and IPE


4.3 Ni{111}: TDS, LEED, HREELS and UPS


5. CO + H on Palladium


5.1 Pd{100}: TDS, LEED, Δφ and HREELS


5.2 Pd{110}: LEED, Δφ and TDS


5.3 Pd{111}: TDS and LEED


6. CO + H on Platinum


6.1 Pt{100}: LEED


6.2 Pt{111}: TDS, ESD, LEED, TEAS, LITD, RAIRS and FYNES


7. CO + H on Rhodium


7.1 Rh{111}: TDS and LEED


7.2 Rh{100}: TDS, LEED, HREELS, Δφ, UPS, XPS and ELS


8. CO + H on Ruthenium


8.1 Ru{110}: TDS, Δφ and UPS


8.2 Ru{001}: TDS, Δφ, XPS, UPS and LITD


9. CO + H on Tungsten


9.1 W{100}: TDS, Δφ, UPS and HREELS


10. Summary

Acknowledgments

References

Chapters 5 Adsorption on Bimetallic Surfaces


1. Introduction


2. Atomic Structure of Bimetallic Systems


3. Metal-Metal Bonding in Bimetallic Systems


4. Chemisorptive Properties of Bimetallic System


5. Conclusions

Acknowledgement

References

Chapter 6 The Chemical Properties of Alloy Single Crystal Surfaces


1. Introduction


2. Pd-Cu, Pd-Ag and Pd-Au Single Crystal Surfaces


3. Pt-Ti, Pt-Co, Pt-Ni and Pt-Fe Single Crystal Surfaces


4. Pt-Rh Single Crystal Surfaces


5. General Discussion

Acknowledgments

List of Abbreviations

References

Chapter 7 Promotion in Ammonia Synthesis


1. Introduction


2. Substrate Dependence of Nitrogen Adsorption and Ammonia Synthesis


3. Nitrogen Dissociation on Fe - Is it Activated?


4. Ammonia Synthesis on Single Crystals


5. Promotion - Generalities


6. The Effects of Promotion on Nitrogen Dissociation and Ammonia Synthesis


6.1 Promoters on Catalysts


6.2 Promoters on Single Crystals


7. Theoretical Modeling


8. Conclusions


8.1 The Rate Determining Step


8.2 The 'Active Site'


9. Problems to be Solved


10. Future Prospects

References

Chapter 8 Promotion in the Fischer-Tropsch Hydrocarbon Synthesis


1. Introduction


2. Catalysts and Promoters for the Fischer-Tropsch Synthesis


3. The Mechanism of the Fischer-Tropsch Reaction


4. Studies of the Reaction Using Single Crystal Surfaces


4.1 Nickel


4.2 Iron


4.3 Cobalt


4.4 Ruthenium


5. Conclusions

References

Chapter 9 Promoters and Poisons in the Water-Gas Shift Reaction


1. Introduction


2. Sulfur Poisoning of Cu Catalysts


3. Cesium Promotion of Cu Catalysts


3.1 Influences of Cs on the Steady-State Catalytic Kinetics


3.2 Influence of Cs on the Kinetics of Elementary Steps


3.3 The Structure and Role of the Cs Promoter in Water-Gas Shift Over Cu


3.4 Cesium Promotion of the Methanol Synthesis Reaction Over Cu


4. Conclusions

Acknowledgments

References

Chapter 10 Strong Metal-Support Interactions


1. Introduction


1.1 Original Work by Tauster et al


1.2 SMSI Characteristics


2. Bulk Titania


2.1 Structural Properties of TiCO2


2.2 Electronic Structure of TiO2


2.3 Chemisorptive Properties of TiO2


3. Possible Explanations for SMSI


3.1 Strongly Adsorbed Hydrogen on the Metal Surface


3.2 Competitive Chemisorption Between H2 and CO


3.3 Charge Transfer Between Metal and Support


3.4 Cluster Formation


3.5 Support Held Hydrogen


3.6 The Decoration Model


3.7 Interfacial Metal-Support Interaction (IMSI)


3.8 Oxygen Vacancy Model


3.9 Surface Site Transfer


3.10 Junction Effect Theory


4. The Ru/TiO2 Catalyst: A Case Study


4.1 Ti/Ru(0001)


4.2 TixRuy(0001) Alloy Surfaces


4.3 TiOx/Ru(0001)


4.4 TiOxRUy


4.5 Model Dispersed Catalysts


4.6 The Ru/Ti02 Catalyst


4.7 Conclusions

Acknowledgments

References

Index