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Author Kislitsyn, Dmitry A. ♦ Mills, Jon M. ♦ Gervasi, Christian F. ♦ Taber, Benjamen N. ♦ Rosenfield, Ariel E. ♦ Nazin, George V. ♦ Kocevski, Vancho ♦ Eriksson, Olle ♦ Rusz, Ján ♦ Chiu, Sheng-Kuei ♦ DeBenedetti, William J. I. ♦ Goforth, Andrea M.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ CHARGE STATES ♦ DEHYDROGENATION ♦ ELECTRONIC STRUCTURE ♦ EXPERIMENTAL DATA ♦ NANOSTRUCTURES ♦ SILICON ♦ SPECTROSCOPY ♦ SURFACES ♦ TUNNEL EFFECT
Abstract We present results of a scanning tunneling spectroscopy (STS) study of the impact of dehydrogenation on the electronic structures of hydrogen-passivated silicon nanocrystals (SiNCs) supported on the Au(111) surface. Gradual dehydrogenation is achieved by injecting high-energy electrons into individual SiNCs, which results, initially, in reduction of the electronic bandgap, and eventually produces midgap electronic states. We use theoretical calculations to show that the STS spectra of midgap states are consistent with the presence of silicon dangling bonds, which are found in different charge states. Our calculations also suggest that the observed initial reduction of the electronic bandgap is attributable to the SiNC surface reconstruction induced by conversion of surface dihydrides to monohydrides due to hydrogen desorption. Our results thus provide the first visualization of the SiNC electronic structure evolution induced by dehydrogenation and provide direct evidence for the existence of diverse dangling bond states on the SiNC surfaces.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-06-28
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 144
Issue Number 24


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