Search results

Search for "DFT-based transport" in Full Text gives 1 result(s) in Beilstein Journal of Organic Chemistry.

Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ

  • Raúl García,
  • M. Ángeles Herranz,
  • Edmund Leary,
  • M. Teresa González,
  • Gabino Rubio Bollinger,
  • Marius Bürkle,
  • Linda A. Zotti,
  • Yoshihiro Asai,
  • Fabian Pauly,
  • Juan Carlos Cuevas,
  • Nicolás Agraït and
  • Nazario Martín

Beilstein J. Org. Chem. 2015, 11, 1068–1078, doi:10.3762/bjoc.11.120

Graphical Abstract
  • theoretical calculations. To the best of our knowledge, these are the first reported single-molecule conductance measurements on a molecular charge-transfer species. Keywords: break junction measurements; charge-transfer complex; DFT-based transport; molecular electronics; tetrathiafulvalene; Introduction
PDF
Album
Supp Info
Full Research Paper
Published 24 Jun 2015
Other Beilstein-Institut Open Science Activities