Understanding the surface structure of catalysts and 2D materials at the atomic scale

Boden, D. (2023)

Doctoral Thesis

The work in this thesis demonstrates how to obtain an atomic-scale picture of a diverse set of complex surface structures observed using STM, under disparate conditions. Chapters 4−6 each represent a different approach to answer the same question: How can we find out what a surface looks like at the atomic scale? By employing appropriate theoretical tools that complement the experimental conditions and measurement techniques, it is possible to compare the results from theory and experiment in an intuitive manner to obtain additional insights. Additionally, Chapter 4 shows that theoretical studies, which do not take experimental conditions into account appropriately, can lead to wrong conclusions.

• Surface Science
• Catalysis
• 2D Materials
• Scanning Tunneling Microscopy
• Density Functional Theory
• Ab Initio Thermodynamics
• Cobalt Sulfide
• Platinum oxidation
• NO reduction

• All authors: Boden, D.
• Supervisor: Groot, I.M.N.
• Co-supervisor: Meyer, J.
• Committee: Ubbink, M.; Oosterkamp, T.H.; Parkinson, G.S.; Jacob, T.; Doblhoff-Dier, K.
• Qualification: Doctor (dr.)
• Awarding Institution: Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University
• Date: 2023-09-12
• ISBN (print): 9789464694253
• Sponsorship: NWO
• Grant number: 17216