Selenium-based self-assembled monolayers: the nature of adsorbate-surface interactions

Langmuir : the ACS Journal of Surfaces and Colloids
Ezequiel de la Llave, Damián A Scherlis

Abstract

In recent years, self-assembled monolayers (SAMs) of selenols have been characterized using electrochemistry, scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), thermal desorption spectroscopy, and other experimental approaches. Interest in the relative stability and conductance of the Se-Au interface as compared to S-Au prompted different investigations which have led to contradictory results. From the theoretical side, on the other hand, the study of selenol-based SAMs has concentrated on the investigation of the electron transport across the Se-Au contact, whereas the structural and the thermodynamic features of the monolayer were essentially neglected. In this Article, we examine the binding of selenols to the Au(111) surface using density functional theory with plane wave basis sets and periodic boundary conditions. Our calculations provide insights on the geometry of the headgroup, the stability of the monolayer, and the electronic properties of the bond. In particular, we propose that the presence of a conjugated backbone might be a major factor determining the relative conductance at the monolayer, by differentially enhancing the intramolecular electron transport in selenols with respect to thi...Continue Reading

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Citations

Aug 25, 2011·Journal of the American Chemical Society·J Nathan HohmanPaul S Weiss
Apr 18, 2012·Nanoscale·Xiangming MengManzhou Zhu
Sep 28, 2013·Physical Chemistry Chemical Physics : PCCP·Yuichi NegishiKatsuyuki Nobusada
Jan 22, 2013·Annual Review of Physical Chemistry·Bala Krishna PathemPaul S Weiss
Aug 19, 2015·The Journal of Physical Chemistry Letters·Wataru KurashigeYuichi Negishi
Sep 29, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Sabina WyczawskaPeter Lievens
Apr 26, 2012·Chemistry : a European Journal·April D JewellE Charles H Sykes
Nov 30, 2013·Chemistry : a European Journal·Leonid V Romashov, Valentine P Ananikov
May 8, 2014·Journal of the American Chemical Society·J Nathan HohmanPaul S Weiss
Dec 20, 2019·Advanced Materials·Liam Howard-Fabretto, Gunther G Andersson
Jun 19, 2019·Physical Chemistry Chemical Physics : PCCP·Mateusz WróbelPiotr Cyganik
Nov 8, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Nicolás ArisnabarretaFernando P Cometto
Sep 20, 2012·The Journal of Physical Chemistry Letters·Wataru KurashigeYuichi Negishi
Sep 29, 2018·Journal of the American Chemical Society·Brittany TrangJ Nathan Hohman
Dec 12, 2018·Journal of the American Chemical Society·Christopher A Hosier, Christopher J Ackerson

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