title: The adsorbed state of a thiol on palladium nanoparticles.
abstract: In the present work, a combination of imaging, spectroscopic and computational methods shows that 1-dodecanethiol undergoes S-deprotonation to form 1-dodecanethiolate on the surface of palladium nanoparticles, which then self-assembles into a structure that shows a high degree of order. The alkyl chain is largely in the all-trans conformation, which occurs despite the small size of the nanoparticle, (mean diameter = 3.9 nm). Inelastic neutron scattering spectroscopy is readily able to characterise organic surface layers on nanoparticles; the nature of the material is irrelevant: whether the nanoparticle core is an oxide, a metal or a semiconductor makes no difference. Comparison to DFT calculations allows insights into the nature and conformation of the adsorbed layer.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK and UK Catalysis Hub, Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0FA, UK.
authors.forename: Scott M
authors.initials: SM
authors.lastname: Rogers
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK and Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK.
authors.forename: Nikolaos
authors.initials: N
authors.lastname: Dimitratos
authors.affiliation: UK Catalysis Hub, Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0FA, UK and Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK.
authors.forename: Wilm
authors.initials: W
authors.lastname: Jones
authors.affiliation: UK Catalysis Hub, Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0FA, UK and Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK.
authors.forename: Michael
authors.initials: M
authors.lastname: Bowker
authors.affiliation: School of Physics and Astronomy, Faculty of Physical Sciences and Engineering, University of Southampton, Highfield, Southampton, SO17 1BJ, UK.
authors.forename: Antonios G
authors.initials: AG
authors.lastname: Kanaras
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK and UK Catalysis Hub, Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0FA, UK.
authors.forename: Peter P
authors.initials: PP
authors.lastname: Wells
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK and UK Catalysis Hub, Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0FA, UK and Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK.
authors.forename: C Richard A
authors.initials: CR
authors.lastname: Catlow
authors.affiliation: UK Catalysis Hub, Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0FA, UK and ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, UK. stewart.parker@stfc.ac.uk.
authors.forename: Stewart F
authors.initials: SF
authors.lastname: Parker