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Theoretical study of orientations of biofunctionalized thiolates on Au(111) surface
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
2012 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesisAlternative title
Teoretisk studie av orienteringen hos biofunktionella thioler på en Au(111) yta (Swedish)
Abstract [en]

A theoretical analysis of the orientation of biofunctionalized thiolate has been made by changing the surface configuration. The results show that it is possible to match the experimental data by changing the molecular density and also that it is possible to match the experimental data using only hollow sites in the gold surface as placements for the molecules. Some configurations that match available data using only hollow sites positions have been suggested. Moving away from the (sqrt(3) x sqrt(3)) R30° configuration result in a large energy gain for Bor Capped.

Place, publisher, year, edition, pages
2012. , 38 p.
Keyword [en]
computational physics, biofunctionalized thiolate
National Category
Atom and Molecular Physics and Optics
URN: urn:nbn:se:liu:diva-76690ISRN: LITH-IFM-A-EX-12/2576-SEOAI: diva2:525575
Subject / course
Computational Physics
2012-03-30, Jordan-Fermi, Linköpings universitet, Linköping, 10:00 (English)
Physics, Chemistry, Mathematics
Available from: 2012-05-14 Created: 2012-04-16 Last updated: 2012-05-14Bibliographically approved

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Hådén, Jonas
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