This title appears in the Scientific Report :
2014
Please use the identifier:
http://dx.doi.org/10.1016/j.susc.2013.09.018 in citations.
Self-assembled monolayers of methylselenolate on the Au(111) surface: A combined STM and DFT study
Self-assembled monolayers of methylselenolate on the Au(111) surface: A combined STM and DFT study
In this study scanning tunneling microscopy (STM) and density functional theory (DFT) were used to investigate the structural formation of methylselenolate (CH3Se) self-assembled monolayers (SAMs) on the Au(111) surface. SAMs were prepared by two different methods, from solution and by exposing the...
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Personal Name(s): | El-Kareh, L. (Corresponding author) |
---|---|
Mehring, P. / Caciuc, V. / Atodiresei, N. / Beimborn, A. / Blügel, S. / Westphal, C. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien; PGI-1 |
Published in: | Surface science, 619 (2014) S. 67 - 70 |
Imprint: |
Amsterdam
Elsevier
2014
|
DOI: |
10.1016/j.susc.2013.09.018 |
Document Type: |
Journal Article |
Research Program: |
Spin-based and quantum information |
Publikationsportal JuSER |
In this study scanning tunneling microscopy (STM) and density functional theory (DFT) were used to investigate the structural formation of methylselenolate (CH3Se) self-assembled monolayers (SAMs) on the Au(111) surface. SAMs were prepared by two different methods, from solution and by exposing the Au(111) surface to gaseous dimethyldiselenide (DMDSe). For methylselenolate (MSe) on the Au(111) surface, our STM measurements revealed the presence of (4 × √3) and (3 × 2√3) rectangular striped phases. These structures were verified by DFT calculations. For both phases, the DFT calculations clearly found a bridge adsorption geometry for MSe on Au(111). Furthermore, they provide information about the electronic structure of the MSe–SAMs. |