21. Prof. Ulrike Diebold - Oxide Surfaces: Isolated Hydroxyls and Interaction with Water

Описание: Full title: Oxide surfaces: From isolated hydroxyls to the interaction with liquid water
Speaker: Prof. Ulrike Diebold (TU Wien, Vienna, Austria)

First Part:
00:00 - Introduction
02:00 - Beginning of the talk
10:49 - Hydroxyls and surface acidity
16:36 - Probing surface hydroxyls

First Q&A:
30:28 - Q1: Role of proton tunneling
33:05 - Q2: Different oxygens on one surface
35:32 - Q3: Accuracy of DFT for surface science
39:10 - Q4: What determines adsorption strength
42:15 - Q5: Interaction between adsorbates (Frumkin isotherm)

Second Part:
45:43 - Important remarks about real surfaces and DFT
54:15 - Evolution of oxide surfaces in liquid water

Second Q&A:
1:09:16 - Q6: Experimental challenges
1:12:18 - Q7: Reasons for choosing rutile surfaces
1:15:09 - Q8: Differences in proton affinity between gas and water
1:21:51 - Q9: Driving force for surface changes in H2O
1:27:00 - Q10: STM of amorphous surfaces
1:28:42 - Q11: pH calculation of H2O under CO2
1:29:44 - Q12: Surface polarity
1:33:25 - Q13: pKa of the entire surface
1:35:23 - Q14: Future of the field


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Abstract: 
Oxides play a major role in (photo-)electrochemistry and environmental applications, and have been investigated intensely with surface science techniques.  In the talk, I will first describe how we can probe the acidity if individual hydroxyls, and assess their proton affinity quantitatively with non-contact Atomic Force Microscopy in combination with DFT calculations.  I will then talk about our attempts to combine such UHV measurements with liquid water, and how we can possible contribute to probing fundamental properties of water itself.