WALLACE, DS;
STONEHAM, AM;
HAYES, W;
FISHER, AJ;
TESTA, A;
(1991)
THEORY OF DEFECTS IN CONDUCTING POLYMERS .2. APPLICATION TO POLYACETYLENE.
J PHYS-CONDENS MAT
, 3
(22)
3905 - 3920.
10.1088/0953-8984/3/22/003.
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Abstract
We exploit the approach of a previous paper, based on self-consistent quantum-chemical molecular dynamics, to investigate the energetics and dynamics of excitations in conducting polymers. The predictions include the formation energies of solitons and polarons, the phenomenon of doping by alkali atoms, luminescence quenching in cis-polyacetylene, the soliton mobility in trans-polyacetylene and the non-existence of breathers in cis-polyacetylene.
Type: | Article |
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Title: | THEORY OF DEFECTS IN CONDUCTING POLYMERS .2. APPLICATION TO POLYACETYLENE |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1088/0953-8984/3/22/003 |
Publisher version: | http://dx.doi.org/10.1088/0953-8984/3/22/003 |
Language: | English |
Additional information: | Text made available to UCL Discovery by kind permission of IOP Publishing, 2012 |
Keywords: | TRANS-POLYACETYLENE, CIS-POLYACETYLENE, RAMAN-SCATTERING, GAP STATES, PICOSECOND, DYNAMICS, SOLITONS, PHOTOCONDUCTIVITY, LUMINESCENCE |
UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
URI: | https://discovery.ucl.ac.uk/id/eprint/66665 |
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