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Many-body effects on the electronic and optical properties of strained semiconducting carbon nanotubes

Physical Review B - Condensed Matter and Materials Physics

Spataru, Dan C.; Leonard, Francois L.

We present many-body ab initio calculations of the electronic and optical properties of semiconducting zigzag carbon nanotubes under uniaxial strain. The GW approach is utilized to obtain the quasiparticle band gaps and is combined with the Bethe-Salpeter equation to obtain the optical absorption spectrum. We find that the dependence of the electronic band gaps on strain is more complex than previously predicted based on tight-binding models or density functional theory. In addition, we show that the exciton energy and exciton binding energy depend significantly on strain, with variations of tens of milli-electron-volts per percent strain, but despite these strong changes the absorbance is found to be nearly independent of strain. Our results provide new guidance for the understanding and design of optomechanical systems based on carbon nanotubes. © 2013 American Physical Society.

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Carbon nanotube IR detectors (SV)

Leonard, Francois L.

Sandia National Laboratories (Sandia) and Lockheed Martin Corporation (LMC) collaborated to (1) evaluate the potential of carbon nanotubes as channels in infrared (IR) photodetectors; (2) assemble and characterize carbon nanotube electronic devices and measure the photocurrent generated when exposed to infrared light;(3) compare the performance of the carbon nanotube devices with that of traditional devices; and (4) develop and numerically implement models of electronic transport and opto-electronic behavior of carbon nanotube infrared detectors. This work established a new paradigm for photodetectors.

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LDRD final report : energy conversion using chromophore-functionalized carbon nanotubes

Leonard, Francois L.; Wong, Bryan M.; Krafcik, Karen L.; Zifer, Thomas Z.; Katzenmeyer, Aaron M.; Kane, Alexander K.

With the goal of studying the conversion of optical energy to electrical energy at the nanoscale, we developed and tested devices based on single-walled carbon nanotubes functionalized with azobenzene chromophores, where the chromophores serve as photoabsorbers and the nanotube as the electronic read-out. By synthesizing chromophores with specific absorption windows in the visible spectrum and anchoring them to the nanotube surface, we demonstrated the controlled detection of visible light of low intensity in narrow ranges of wavelengths. Our measurements suggested that upon photoabsorption, the chromophores isomerize to give a large change in dipole moment, changing the electrostatic environment of the nanotube. All-electron ab initio calculations were used to study the chromophore-nanotube hybrids, and show that the chromophores bind strongly to the nanotubes without disturbing the electronic structure of either species. Calculated values of the dipole moments supported the notion of dipole changes as the optical detection mechanism.

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(E)-4-[(4-nitrophenyl)diazenyl]phenyl anthracene-9-carboxylate

Proposed for publication in Acta Crystallographica E.

Rodriguez, Marko A.; Zifer, Thomas Z.; Vance, Andrew L.; Wong, Bryan M.; Leonard, Francois L.

In the title compound, C{sub 27}H{sub 17}N{sub 3}O{sub 4}, the azo group displays a trans conformation and the dihedral angles between the central benzene ring and the pendant anthracene and nitrobenzene rings are 82.94 (7) and 7.30 (9){sup o}, respectively. In the crystal structure, weak C-H...O hydrogen bonds, likely associated with a dipole moment present on the molecule, help to consolidate the packing.

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Color detection using chromophore-nanotube hybrid devices

Proposed for publication in Nano Letters.

Zhou, Xinjian Z.; Zifer, Thomas Z.; Wong, Bryan M.; Krafcik, Karen L.; Leonard, Francois L.; Vance, Andrew L.

We present a nanoscale color detector based on a single-walled carbon nanotube functionalized with azobenzene chromophores, where the chromophores serve as photoabsorbers and the nanotube as the electronic read-out. By synthesizing chromophores with specific absorption windows in the visible spectrum and anchoring them to the nanotube surface, we demonstrate the controlled detection of visible light of low intensity in narrow ranges of wavelengths. Our measurements suggest that upon photoabsorption, the chromophores isomerize from the ground state trans configuration to the excited state cis configuration, accompanied by a large change in dipole moment, changing the electrostatic environment of the nanotube. All-electron ab initio calculations are used to study the chromophore-nanotube hybrids and show that the chromophores bind strongly to the nanotubes without disturbing the electronic structure of either species. Calculated values of the dipole moments support the notion of dipole changes as the optical detection mechanism.

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Results 76–100 of 134
Results 76–100 of 134