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THEORY OF DEFECTS IN CONDUCTING POLYMERS .2. APPLICATION TO POLYACETYLENE

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. Green open access

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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
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 > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology

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