Charge transport in DNA nanowires connected to carbon nanotubes
Abstract
DNA is perhaps the worlds most controllable nanowire, with potential applications in nanoelectronics and sensing. However, understanding of its charge transport (CT) properties remains elusive, with experiments reporting a wide range of behaviors from insulating to superconductive. Here, we report extensive first-principle simulations that account for DNA's high flexibility and its native solvent environment. The results show that the CT along the DNA's long axis is strongly dependent on DNA's instantaneous conformation varying over many orders of magnitude. In high CT conformations, delocalized conductive states extending over up to 10 base pairs are found. Their low exponential decay constants further indicate that coherent CT, which is assumed to be active only over 2–3 base pairs in the commonly accepted DNA CT models, can act over much longer length scales. We also identify a simple geometrical rule that predicts CT properties of a given conformation with high accuracy. The effect of mismatched base pairs is also considered: while they decrease conductivities of specific DNA conformations, thermally induced conformational fluctuations wash out this effect. Overall, our results indicate that an immobilized partially dried poly(G)-poly(C) B-DNA is preferable for nanowire applications.
- Authors:
-
- North Carolina State Univ., Raleigh, NC (United States). Center for High Performance Simulation and Dept. of Physics
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); North Carolina State University, Raleigh, NC (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1565367
- Alternate Identifier(s):
- OSTI ID: 1212225
- Grant/Contract Number:
- FG02-98ER45685
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 7; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials Science; Physics
Citation Formats
Tan, Bikan, Hodak, Miroslav, Lu, Wenchang, and Bernholc, J. Charge transport in DNA nanowires connected to carbon nanotubes. United States: N. p., 2015.
Web. doi:10.1103/physrevb.92.075429.
Tan, Bikan, Hodak, Miroslav, Lu, Wenchang, & Bernholc, J. Charge transport in DNA nanowires connected to carbon nanotubes. United States. https://doi.org/10.1103/physrevb.92.075429
Tan, Bikan, Hodak, Miroslav, Lu, Wenchang, and Bernholc, J. Wed .
"Charge transport in DNA nanowires connected to carbon nanotubes". United States. https://doi.org/10.1103/physrevb.92.075429. https://www.osti.gov/servlets/purl/1565367.
@article{osti_1565367,
title = {Charge transport in DNA nanowires connected to carbon nanotubes},
author = {Tan, Bikan and Hodak, Miroslav and Lu, Wenchang and Bernholc, J.},
abstractNote = {DNA is perhaps the worlds most controllable nanowire, with potential applications in nanoelectronics and sensing. However, understanding of its charge transport (CT) properties remains elusive, with experiments reporting a wide range of behaviors from insulating to superconductive. Here, we report extensive first-principle simulations that account for DNA's high flexibility and its native solvent environment. The results show that the CT along the DNA's long axis is strongly dependent on DNA's instantaneous conformation varying over many orders of magnitude. In high CT conformations, delocalized conductive states extending over up to 10 base pairs are found. Their low exponential decay constants further indicate that coherent CT, which is assumed to be active only over 2–3 base pairs in the commonly accepted DNA CT models, can act over much longer length scales. We also identify a simple geometrical rule that predicts CT properties of a given conformation with high accuracy. The effect of mismatched base pairs is also considered: while they decrease conductivities of specific DNA conformations, thermally induced conformational fluctuations wash out this effect. Overall, our results indicate that an immobilized partially dried poly(G)-poly(C) B-DNA is preferable for nanowire applications.},
doi = {10.1103/physrevb.92.075429},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 7,
volume = 92,
place = {United States},
year = {Wed Aug 19 00:00:00 EDT 2015},
month = {Wed Aug 19 00:00:00 EDT 2015}
}
Web of Science
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