Polarization component of cohesion energy in single-wall carbon nanotube-DNA complexes

Snyder, Stacy; Rotkin, Slava V.

doi:10.1134/s0021364006180159

Cited by 15 publications

(12 citation statements)

References 8 publications

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“…Our previous work found that bandstructures of DNA–SWNTs are indeed affected by the charged wrap. That is, the direct optical bandgap, E 11 , decreases, but changes are fairly small 8. This is consistent with the available experimental data in standard experimental geometry in which incident light is polarized along the SWNT axis 9.…”

supporting

confidence: 89%

“…As we observed, absorption (and luminescence) of light with parallel polarization should not change significantly upon DNA hybridization 8. In contrast, Figure 2 shows that for a semiconducting zigzag (7,0) DNA–SWNT hybrid with the wrap geometry shown in the inset, the optical absorption coefficients for light polarized across the SWNT axis (solid curve) drastically differ from the bare tube absorption in the same polarization (dashed curve).…”

mentioning

confidence: 71%

“…The physical interpretation of this effect is that the polarization of the electron (hole) under the perturbation of the transverse electric field of a nearby DNA phosphate group creates across the tube a permanent dipole, which may be excited by the perpendicular electric field of incident light. Overall (negative) electron density shifts to the opposite side of the tube and (positive) hole density shifts toward the DNA backbone 8. To observe such an effect experimentally, one must tune to a singularity in the optical density of states.…”

mentioning

confidence: 99%

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Optical Identification of a DNA‐Wrapped Carbon Nanotube: Signs of Helically Broken Symmetry

Snyder

Rotkin

2008

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confidence: 89%

mentioning

confidence: 71%

mentioning

confidence: 99%

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Optical Identification of a DNA‐Wrapped Carbon Nanotube: Signs of Helically Broken Symmetry

Snyder

Rotkin

2008

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“…The kinetics of wrapping (32) was studied with Monte Carlo methods (33), and the penetration of DNA inside SWNT has received attention (34). The electronic component of the cohesion energy in the hybrid has also been studied (27,35,36). We return to binding energy in Section 3.2.…”

Section: Dna-wrapped Nanotube: Structure and Bondingmentioning

confidence: 99%

Electronic Properties of Nonideal Nanotube Materials: Helical Symmetry Breaking in DNA Hybrids

Rotkin

2010

Annu. Rev. Phys. Chem.

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Helical wrapping of single-strand DNA around single-wall nanotubes (SWNTs) results in the symmetry breaking and modification of the nanotube band structure. Empirical tight-binding theory was employed to investigate this symmetry breaking and modulation of the electronic and optical properties of a SWNT in the field of an ionized DNA. The model allows the computation of the polarization component of the hybrid's energy of cohesion, with a typical value of 0.5 eV per DNA base. A screening parameter that quantifies the response of the SWNT electrons to the DNA perturbation was obtained. SWNT symmetry breaking shows up in the optical absorption for light polarized across the SWNT axis. In addition, circular dichroism is predicted for DNA-SWNT hybrids, even when the nanotube itself is achiral. These optical effects may be used for experimental determination of the DNA wrapping.

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“…ssDNA is known to wrap in a regular pattern around the cylindrical surface of the SWNT [23,24,30,36]. The nucleobases bind to the nanotube surface through a combination of van der Waals, hydrophobic and Coulomb forces [37][38][39][40], while the phosphodiester backbone remains exposed to the solvent. The wrapping pattern depends strongly on the DNA sequence [27,41].…”

Section: Swnt Ssdnamentioning

confidence: 99%

Two-color spectroscopy of UV excited ssDNA complex with a single-wall nanotube photoluminescence probe: Fast relaxation by nucleobase autoionization mechanism

et al. 2016

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SWNT ssDNADNA is capable to recover after absorbing ultraviolet (UV) radiation, for example, by autoionization (AI). Singlewall carbon nanotube (SWNT) two-color photoluminescence spectroscopy was combined with quantum mechanical calculations to explain the AI in self-assembled complexes of DNA wrapped around SWNT. DNA autoionization is a fundamental process wherein UV-photoexcited nucleobases dissipate energy by charge transfer to the environment without undergoing chemical damage. Here, single-wall carbon nanotubes (SWNT) are explored as a photoluminescent reporter for studying the mechanism and rates of DNA autoionization. Two-color photoluminescence spectroscopy allows separate photoexcitation of the DNA and the SWNTs in the UV and visible range, respectively. A strong SWNT photoluminescence quenching is observed when the UV pump is resonant with the DNA absorption, consistent with charge transfer from the excited states of the DNA to the SWNT. Semiempirical calculations of the DNA-SWNT electronic structure, combined with a Green's function theory for charge transfer, show a 20 fs autoionization rate, dominated by the hole transfer. Rate-equation analysis of the spectroscopy data confirms that the quenching rate is limited by the thermalization of the free charge carriers transferred to the nanotube reservoir. The developed approach has a great potential for monitoring DNA excitation, autoionization, and chemical damage both in vivo and in vitro arXiv:1512.00710v1 [cond-mat.mes-hall] 2 Dec 2015 2

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Polarization component of cohesion energy in single-wall carbon nanotube-DNA complexes

Cited by 15 publications

References 8 publications

Optical Identification of a DNA‐Wrapped Carbon Nanotube: Signs of Helically Broken Symmetry

Optical Identification of a DNA‐Wrapped Carbon Nanotube: Signs of Helically Broken Symmetry

Electronic Properties of Nonideal Nanotube Materials: Helical Symmetry Breaking in DNA Hybrids

Two-color spectroscopy of UV excited ssDNA complex with a single-wall nanotube photoluminescence probe: Fast relaxation by nucleobase autoionization mechanism

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