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Titolo:
Logical switching with the use of bipolarons in conjugated polymers
Autore:
Pinheiro, CD; Acioli, PH; Silva, GME;
Indirizzi:
Univ Brasilia, Inst Phys, BR-70910900 Brasilia, DF, Brazil Univ Brasilia Brasilia DF Brazil BR-70910900 BC10900 Brasilia, DF, Brazil
Titolo Testata:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, volume: 539, anno: 2001,
pagine: 55 - 64
SICI:
0166-1280(20010420)539:<55:LSWTUO>2.0.ZU;2-9
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR SWITCHES; CHARGE PROPAGATION; SOLITON DYNAMICS; POLYACETYLENE; POLARONS;
Keywords:
switches; bipolarons; conjugated polymers;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
23
Recensione:
Indirizzi per estratti:
Indirizzo: Pinheiro, CD Univ Brasilia, Inst Phys, BR-70910900 Brasilia, DF, Brazil Univ Brasilia Brasilia DF Brazil BR-70910900 BCa, DF, Brazil
Citazione:
C.D. Pinheiro et al., "Logical switching with the use of bipolarons in conjugated polymers", J MOL ST-TH, 539, 2001, pp. 55-64

Abstract

Considering impurity molecules functioning as switches, the charge transport on a single conducting polymer chain is investigated. The dynamics of structural bipolaron-type defects in conjugated polymers using a modified tight-binding hamiltonian is extended to include the effects of an external electric field and the parameters of the switching molecules are studied. Theelectric field is used to accelerate charged bipolarons in polymers and itis introduced in terms of a time-dependent vector potential, We use the Pariser-Parr-Pople model combined with the Su-Schrieffer-Heeger model of electron-lattice coupling and a Brazovskii-Kirova-type simmetry-breaking interaction. The process of charge transfer through the sites, and that it works like a switch, is analyzed by the numerical resolution of the equations of motion within the unrestricted Hartree-Fock approximation. The switching character of the parameters of the molecules on the charge transport through the chain is determined. The energies involved are also discussed. (C) 2001Elsevier Science B.V. All rights reserved.

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Documento generato il 27/09/20 alle ore 12:42:11