Notes

Slide Show

Outline

1	Application of DFT Calculations to Surfaces
2	Computational modeling of the surface of Au(111)
3	Top view of the Au(111) Surface
4	Face-centered cubic lattice is ABC
5	Face-centered cubic lattice is ABC
6	Binding sites on the 111 surface
7	Hexagonal unit cells on the 111 surface
8	Orthorhombic unit cells on the 111 surface
9	Unit cells on the 111 surface top binding site
10	Unit cells on the 111 surface fcc binding site
11	Unit cells on the 111 surface bridge binding site
12	Unit cells on the 111 surface hcp binding site
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24	Methane thiol is anomalous
25	Ethane thiol follows the trend
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34	Computational modeling of the surface of Au(111)
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37	Computational modeling of the surface of Au(111)
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51	Computational modeling of the surface of Au(111)
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54	Computational modeling of the surface of Au(111)
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56	Modeling of grazing angle spectra of phenyl boronic acid monolayers
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58	Computational modeling of absorption and Raman spectroscopy of pyridine on Ag
59	Plasmon and charge transfer bands: Pyridine on 20 nm Ag colloid
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61	Wavepacket dynamics: Absorption
62	Fourier transform of exponentially damped sinusoid is a Lorentzian
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64	Wavepacket dynamics: Raman
65	FT of áf\|i(t)ñ yields the REP
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67	Computational modeling of the properties and surface of ITO
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69	Computational modeling of the properties and surface of ITO
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73	Computational modeling of the properties and surface of ITO
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77	Computational modeling of the properties and surface of ITO
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82	Grand Challenge Problems in the DFT Modeling of Surfaces
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