title: Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers.
abstract: We report the results of electronic structure coupled to molecular dynamics simulations on organic polymers subject to a temperature gradient at low-temperature regimes. The temperature gradient is introduced using a Langevin-type dynamics corrected for quantum effects, which are very important in these systems. Under this condition we were able to determine that in these no-impurity systems the Seebeck coefficient is in the range of 1-3 μV/K. These results are in good agreement with reported experimental results under the same low-temperature conditions.
authors.affiliation: Institute of Physics, University of Brasilia , Brasilia 70.919-970, Brazil.|Department of Chemistry, Massachusetts Institute of Technology , Cambridge, Massachusetts 02139-4307, United States.
authors.forename: Pedro Henrique
authors.initials: PH
authors.lastname: de Oliveira Neto
authors.affiliation: Institute of Physics, University of Brasilia , Brasilia 70.919-970, Brazil.
authors.forename: Demétrio A
authors.initials: DA
authors.lastname: da Silva Filho
authors.affiliation: Institute of Physics, University of Brasilia , Brasilia 70.919-970, Brazil.
authors.forename: Luiz F
authors.initials: LF
authors.lastname: Roncaratti
authors.affiliation: Institute of Physics, University of Brasilia , Brasilia 70.919-970, Brazil.|Department of Physics, Northeastern Illinois University , Chicago, Illinois 60625, United States.
authors.forename: Paulo H
authors.initials: PH
authors.lastname: Acioli
authors.affiliation: Institute of Physics, University of Brasilia , Brasilia 70.919-970, Brazil.
authors.forename: Geraldo Magela
authors.initials: GM
authors.lastname: E Silva