%0 Journal Article
%A Landt, L.
%A Staiger, M.
%A Wolter, D.
%A Klünder, K.
%A Zimmermann, P.
%A Willey, T. M.
%A van Buuren, T.
%A Brehmer, D.
%A Schreiner, P. R.
%A Tkachenko, B. A.
%A Fokin, A. A.
%A Möller, T.
%A Bostedt, C.
%A DESY
%T The influence of a single thiol group on the electronic and optical properties of the smallest diamond adamantane
%J The journal of chemical physics
%V 132
%@ 0021-9606
%C Melville, NY
%I American Institute of Physics
%M PHPPUBDB-12496
%P 024710
%D 2010
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:20095697
%U <Go to ISI:>//WOS:000273689000043
%R 10.1063/1.3280388
%U https://bib-pubdb1.desy.de/record/92781