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

doi:10.1021/jp311927z

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^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	4647-4656
Number of pages	10
Journal	Journal of Physical Chemistry C
Volume	117
Issue number	9
DOIs	https://doi.org/10.1021/jp311927z
Publication status	Published - 7 Mar 2013
Externally published	Yes

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title = "Accommodation of lattice mismatch in a thiol self-assembled monolayer",

abstract = "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.",

author = "Zhe She and Doroth{\'e}e Lahaye and Champness, \{Neil R.\} and Michael B{\"u}hl and Hicham Hamoudi and Michael Zharnikov and Manfred Buck",

year = "2013",

month = mar,

day = "7",

doi = "10.1021/jp311927z",

language = "English",

volume = "117",

pages = "4647--4656",

journal = "Journal of Physical Chemistry C",

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T1 - Accommodation of lattice mismatch in a thiol self-assembled monolayer

AU - She, Zhe

AU - Lahaye, Dorothée

AU - Champness, Neil R.

AU - Bühl, Michael

AU - Hamoudi, Hicham

AU - Zharnikov, Michael

AU - Buck, Manfred

PY - 2013/3/7

Y1 - 2013/3/7

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/84874921191

U2 - 10.1021/jp311927z

DO - 10.1021/jp311927z

M3 - Article

AN - SCOPUS:84874921191

SN - 1932-7447

VL - 117

SP - 4647

EP - 4656

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 9

ER -

Accommodation of lattice mismatch in a thiol self-assembled monolayer

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