Accommodation of lattice mismatch in a thiol self-assembled monolayer

Zhe She, Dorothée Lahaye, Neil R. Champness, Michael Bühl, Hicham Hamoudi, Michael Zharnikov, Manfred Buck

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6 Citations (Scopus)


The structure of self-assembled monolayers (SAMs) of 3-(4′- (methylthio)-[1,1′-biphenyl]-4-yl)propane-1-thiol (CH3S(C 6H4)2(CH2)3SH) formed on Au(111)/mica has been investigated by scanning tunneling microscopy (STM), high-resolution X-ray photoemission spectroscopy (HRXPS), near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, and density functional theory (DFT) calculations. A highly crystalline monolayer terminated by thioether moieties is formed, which adopts a structure that differs from the previously studied CH3 terminated analogue with its 2√3 × √3 unit cell. An oblique 2√3 × √61 chiral unit cell containing 8 molecules is proposed. Accommodation of the substantial mismatch between the lattices of the SAM and substrate is explained by molecular design. Serving as a buffer layer, the alkane spacer decouples the SAM lattice, defined by the functionalized aromatic moieties, from the substrate.

Original languageEnglish
Pages (from-to)4647-4656
Number of pages10
JournalJournal of Physical Chemistry C
Issue number9
Publication statusPublished - 7 Mar 2013


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

She, Z., Lahaye, D., Champness, N. R., Bühl, M., Hamoudi, H., Zharnikov, M., & Buck, M. (2013). Accommodation of lattice mismatch in a thiol self-assembled monolayer. Journal of Physical Chemistry C, 117(9), 4647-4656.