Accommodation of Lattice Mismatch in a Thiol Self-Assembled Monolayer

作者：She Zhe; Lahaye Dorothee; Champness Neil R; Buehl Michael; Hamoudi Hicham; Zharnikov Michael; Buck Manfred^*

来源：Journal of Physical Chemistry C, 2013, 117(9): 4647-4656.

DOI：10.1021/jp311927z

The structure of self-assembled monolayers (SAMs) of 3-(4%26apos;-(methylthio)-[1,1%26apos;-biphenyl]-4-yl)propane-1-thiol (CH3S(C6H4)(2)(CH2)(3)SH) 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 root 3 X root 3 unit cell. An oblique 2 root 3 X root 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.

• 出版日期2013-3-7