TY  - JOUR
AU  - Li, C.
AU  - Pobelov, I.
AU  - Wandlowski, Th.
AU  - Bagrets, A.
AU  - Arnold, A.
AU  - Evers, F.
TI  - Charge transport in single Au-Alkandithiol-Au junctions - Conductance histograms and conformational degress of freedom
JO  - Journal of the American Chemical Society
VL  - 130
SN  - 0002-7863
CY  - Washington, DC
PB  - American Chemical Society
M1  - PreJuSER-329
SP  - 318 - 326
PY  - 2008
N1  - Record converted from VDB: 12.11.2012
AB  - Recent STM molecular break-junction experiments have revealed multiple series of peaks in the conductance histograms of alkanedithiols. To resolve a current controversy, we present here an in-depth study of charge transport properties of Au|alkanedithiol|Au junctions. Conductance histograms extracted from our STM measurements unambiguously confirm features showing more than one set of junction configurations. On the basis of quantum chemistry calculations, we propose that certain combinations of different sulfur-gold couplings and trans/gauche conformations act as the driving agents. The present study may have implications for experimental methodology: whenever conductances of different junction conformations are not statistically independent, the conductance histogram technique can exhibit a single series only, even though a much larger abundance of microscopic realizations exists.
KW  - Electric Conductivity
KW  - Gold: chemistry
KW  - Molecular Conformation
KW  - Quantum Theory
KW  - Sulfhydryl Compounds: chemistry
KW  - Sulfhydryl Compounds (NLM Chemicals)
KW  - Gold (NLM Chemicals)
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:18076172
UR  - <Go to ISI:>//WOS:000252127500053
DO  - DOI:10.1021/ja0762386
UR  - https://juser.fz-juelich.de/record/329
ER  -