Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 115, Issue 8, Pages 3466-3474Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp110155z
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Funding
- U.S. Army Research Office [W911NF-06-1-0231]
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DNA molecules are able to wrap carbon nanotubes (CNTs) in water solution, thus merging advantages of DNA chemistry with CNT physics as a natural way to design sensor devices. Using electrical means, a reversible semiconductor metallic behavior has been found in CNT DNA hybrid structures. Classical molecular dynamics simulations of the CNT-DNA wrapping process are performed. Then, structural conformations are analyzed by first-principles electronic structure methods; we correlate our results with previous experimental reports on carbon DNA complexes, providing complementary information to understand better their electrical behavior.
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