Incoherent tunneling and heat dissipation in molecular bridges
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Incoherent tunneling and heat dissipation in molecular bridges. / Pecchia, A.; Gagliardi, A.; Solomon, G.; Di Carlo, A.; Frauenheim, Th; Reimers, J. R.
In: Journal of Physics: Conference Series, Vol. 35, No. 1, 01.04.2006, p. 349-356.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Incoherent tunneling and heat dissipation in molecular bridges
AU - Pecchia, A.
AU - Gagliardi, A.
AU - Solomon, G.
AU - Di Carlo, A.
AU - Frauenheim, Th
AU - Reimers, J. R.
PY - 2006/4/1
Y1 - 2006/4/1
N2 - Simulated IV characteristics and inelastic electron tunneling spectra of octanedithiol chemisorbed on gold electrodes are presented. The geometric and electronic structure is obtained from calculations based on a density functional scheme. A non-equilibrium Green's function formalism is employed to deal with the transport aspect of the problem. Both the IV and the calculated spectra show good agreement with experimental results and suggest further details in the assignment and characterization of such spectra.
AB - Simulated IV characteristics and inelastic electron tunneling spectra of octanedithiol chemisorbed on gold electrodes are presented. The geometric and electronic structure is obtained from calculations based on a density functional scheme. A non-equilibrium Green's function formalism is employed to deal with the transport aspect of the problem. Both the IV and the calculated spectra show good agreement with experimental results and suggest further details in the assignment and characterization of such spectra.
UR - http://www.scopus.com/inward/record.url?scp=33646522443&partnerID=8YFLogxK
U2 - 10.1088/1742-6596/35/1/032
DO - 10.1088/1742-6596/35/1/032
M3 - Journal article
AN - SCOPUS:33646522443
VL - 35
SP - 349
EP - 356
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
SN - 1742-6588
IS - 1
ER -
ID: 315216006