Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes

Jeremy B. Maddox; Upendra Harbola; Ning Liu; Christophe Silien; Wilson Ho; Guillermo C. Bazan; Shaul Mukamel

doi:10.1021/jp061590b

Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes

Jeremy B. Maddox, Upendra Harbola, Ning Liu, Christophe Silien, Wilson Ho, Guillermo C. Bazan, Shaul Mukamel

Research output: Contribution to journal › Article › peer-review

Abstract

Inelastic resonances in the electron tunneling spectra of several conjugated molecules are simulated using the nonequilibrium Greens function formalism. The vibrational modes that strongly couple to the electronic current are different from the infrared and Raman active modes. Spatially resolved inelastic electron tunneling (IET) intensities are predicted. The simulated IET intensities for a large distyrylbenzene paracyclophane molecule are in qualitative agreement with recent experimental results.

Original language	English
Pages (from-to)	6329-6338
Number of pages	10
Journal	Journal of Physical Chemistry A
Volume	110
Issue number	19
DOIs	https://doi.org/10.1021/jp061590b
Publication status	Published - 18 May 2006
Externally published	Yes

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title = "Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes",

abstract = "Inelastic resonances in the electron tunneling spectra of several conjugated molecules are simulated using the nonequilibrium Greens function formalism. The vibrational modes that strongly couple to the electronic current are different from the infrared and Raman active modes. Spatially resolved inelastic electron tunneling (IET) intensities are predicted. The simulated IET intensities for a large distyrylbenzene paracyclophane molecule are in qualitative agreement with recent experimental results.",

author = "Maddox, {Jeremy B.} and Upendra Harbola and Ning Liu and Christophe Silien and Wilson Ho and Bazan, {Guillermo C.} and Shaul Mukamel",

year = "2006",

month = may,

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T1 - Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes

AU - Maddox, Jeremy B.

AU - Harbola, Upendra

AU - Liu, Ning

AU - Silien, Christophe

AU - Ho, Wilson

AU - Bazan, Guillermo C.

AU - Mukamel, Shaul

PY - 2006/5/18

Y1 - 2006/5/18

N2 - Inelastic resonances in the electron tunneling spectra of several conjugated molecules are simulated using the nonequilibrium Greens function formalism. The vibrational modes that strongly couple to the electronic current are different from the infrared and Raman active modes. Spatially resolved inelastic electron tunneling (IET) intensities are predicted. The simulated IET intensities for a large distyrylbenzene paracyclophane molecule are in qualitative agreement with recent experimental results.

AB - Inelastic resonances in the electron tunneling spectra of several conjugated molecules are simulated using the nonequilibrium Greens function formalism. The vibrational modes that strongly couple to the electronic current are different from the infrared and Raman active modes. Spatially resolved inelastic electron tunneling (IET) intensities are predicted. The simulated IET intensities for a large distyrylbenzene paracyclophane molecule are in qualitative agreement with recent experimental results.

UR - http://www.scopus.com/inward/record.url?scp=33745436169&partnerID=8YFLogxK

U2 - 10.1021/jp061590b

DO - 10.1021/jp061590b

M3 - Article

AN - SCOPUS:33745436169

SN - 1089-5639

VL - 110

SP - 6329

EP - 6338

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 19

ER -

Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes

Abstract

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