Optical absorption from solvation-induced polarons on nanotubes
نویسندگان
چکیده
منابع مشابه
Optical absorption from polarons in a model of polyacetylene
We present a theoretical calculation, within a continuum electron-phonon-coupled model, of the optical absorption due to polarons in polyacetylene [{CH),]. Our results can be applied to both transand cis-(CH)„, as well as potentially to other polymers (polypyroles, polyparaphenylenes) in which polarons are present. We establish that the essential signature of polaron absorption is the existence...
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We use ab initio total-energy calculations to predict the existence of polarons in semiconducting carbon nanotubes (CNTs). We find that the CNTs' band edge energies vary linearly and the elastic energy increases quadratically with both radial and with axial distortions, leading to the spontaneous formation of polarons. Using a continuum model parametrized by the ab initio calculations, we estim...
متن کاملPolarons in suspended carbon nanotubes.
We prove theoretically the possibility of electric-field controlled polaron formation involving flexural (bending) modes in suspended carbon nanotubes. Upon increasing the field, the ground state of the system with a single extra electron undergoes a first-order phase transition between an extended state and a localized polaron state. For a common experimental setup, the threshold electric fiel...
متن کاملOptical Absorption Properties of Single-Walled Carbon Nanotubes
Single-walled carbon nanotubes (SWNTs) are 1 dimensional (1D) tubular material with sp bonded graphene wall. Their unique geometry gives rise to sharp divergences in electronic density of states and consequently leads to characteristic discrete energy subbands. Since these inter-subband energy corresponds to near infrared (NIR) to visible (vis) range, many innovative optical application of SWNT...
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We study accommodation of an excess charge carrier on long even-N polyynic oligomers C(N)H(2) due to displacements of the underlying carbon lattice and polarization of the surrounding solvent in the context of carrier self-localization into a polaronic state. Spatial patterns of bond-length alternation, excess charge and spin densities are compared as derived with Hartree-Fock and two hybrid de...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3046292