title: The influence of a single thiol group on the electronic and optical properties of the smallest diamondoid adamantane.
abstract: At the nanoscale, the surface becomes pivotal for the properties of semiconductors due to an increased surface-to-bulk ratio. Surface functionalization is a means to include semiconductor nanocrystals into devices. In this comprehensive experimental study we determine in detail the effect of a single thiol functional group on the electronic and optical properties of the hydrogen-passivated nanodiamond adamantane. We find that the optical properties of the diamondoid are strongly affected due to a drastic change in the occupied states. Compared to adamantane, the optical gap in adamantane-1-thiol is lowered by approximately 0.6 eV and UV luminescence is quenched. The lowest unoccupied states remain delocalized at the cluster surface leaving the diamondoid's negative electron affinity intact.
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, Eugene-Wigner-Bldg. EW 3-1, Hardenbergstr. 36, 10623 Berlin, Germany. landt@physik.tu-berlin.de
authors.forename: Lasse
authors.initials: L
authors.lastname: Landt
authors.forename: Matthias
authors.initials: M
authors.lastname: Staiger
authors.forename: David
authors.initials: D
authors.lastname: Wolter
authors.forename: Kathrin
authors.initials: K
authors.lastname: Klünder
authors.forename: Peter
authors.initials: P
authors.lastname: Zimmermann
authors.forename: Trevor M
authors.initials: TM
authors.lastname: Willey
authors.forename: Tony
authors.initials: T
authors.lastname: van Buuren
authors.forename: Daniel
authors.initials: D
authors.lastname: Brehmer
authors.forename: Peter R
authors.initials: PR
authors.lastname: Schreiner
authors.forename: Boryslav A
authors.initials: BA
authors.lastname: Tkachenko
authors.forename: Andrey A
authors.initials: AA
authors.lastname: Fokin
authors.forename: Thomas
authors.initials: T
authors.lastname: Möller
authors.forename: Christoph
authors.initials: C
authors.lastname: Bostedt