Journal Article


Jurriaan Huskens
Ofer Reany
Damien Thompson
Harold J.W. Zandvliet
Pierre-André Cazade
Kai Sotthewes
Özlem Kap
Pramod Patil Kunturu



electron transfer x ray photoelectron spectroscopy xps sulfur atoms electrochemistry self assembled monolayers sams self assembled molecular dynamics au 111

Anchoring and packing of self-assembled monolayers of semithio-bambusurils on Au(111) (2020)

Abstract Semithio-bambusurils are a unique family of anion-binding host macrocycles that form self-assembled monolayers (SAMs) on Au(111). SAMs of semithio-bambusijn]uril homologs with different cage sizes (1: n = 4; 2: n = 6) have been investigated using electrochemistry, X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and molecular dynamics (MD) simulations. Electrochemical measurements showed that electron transfer occurs via tunneling through the SAMs, and the low resistivity indicated an open layer architecture. XPS confirmed that thiocarbonyl sulfur atoms are chemisorbed to the Au(111) surface, and STM revealed the formation of ordered domains in a rectangular lattice for 1 and a highly ordered triangular/hexagonal lattice for 2. MD simulations substantiated the STM data by quantifying the balance between molecule–surface bonding, molecular conformations, and supramolecular packing that drive the formation of SAMs that maximize their surface coverage within the limits of conformational strain.
Collections Ireland -> University of Limerick -> Centres Science and Engineering
Ireland -> University of Limerick -> Faculty of Science and Engineering
Ireland -> University of Limerick -> Bernal Institute

Full list of authors on original publication

Jurriaan Huskens, Ofer Reany, Damien Thompson, Harold J.W. Zandvliet, Pierre-André Cazade, Kai Sotthewes, Özlem Kap, Pramod Patil Kunturu

Experts in our system

Jurriaan Huskens
University of Limerick
Total Publications: 3
Damien Thompson
University of Limerick
Total Publications: 53
Pierre-André Cazade
University of Limerick
Total Publications: 8