Conductance switching in a molecular device: The role of side groups and intermolecular interactions
- 12 September 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 68 (12), 121101
- https://doi.org/10.1103/physrevb.68.121101
Abstract
We report first-principles studies of electronic transport in monolayers of Tour wires functionalized with different side groups. An analysis of the scattering states and transmission eigenchannels suggests that the functionalization does not strongly affect the resonances responsible for current flow through the monolayer. However, functionalization has a significant effect on the interactions within the monolayer, so that monolayers with side groups exhibit local minima associated with twisted conformations of the molecules. We use our results to interpret observations of negative differential resistance and molecular memory in monolayers of functionalized molecules in terms of a twisting of the central ring induced by an applied bias potential.
Keywords
This publication has 21 references indexed in Scilit:
- Electronic transport of molecular systemsChemical Physics, 2002
- Negative Differential Resistance in Phenylene Ethynylene OligomersJournal of the American Chemical Society, 2002
- Conductance Switching in Single Molecules Through Conformational ChangesScience, 2001
- Molecular random access memory cellApplied Physics Letters, 2001
- Theoretical Analysis of Complementary Molecular Memory DevicesThe Journal of Physical Chemistry A, 2000
- Electronics using hybrid-molecular and mono-molecular devicesNature, 2000
- Room-temperature negative differential resistance in nanoscale molecular junctionsApplied Physics Letters, 2000
- Theoretical Study of a Molecular Resonant Tunneling DiodeJournal of the American Chemical Society, 2000
- Large On-Off Ratios and Negative Differential Resistance in a Molecular Electronic DeviceScience, 1999
- Molecular Scale Electronics: A Synthetic/Computational Approach to Digital ComputingJournal of the American Chemical Society, 1998