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The effect of interchain interaction on the thermoelectric properties of nanostructured TTT2I3 and TTT(TCNQ)2 organic crystals


Author: Sanduleac Ionel
Degree:doctor of physics and mathematics
Speciality: 01.04.02 - Theoretical and mathematical physics
Year:2016
Scientific adviser: Anatolie Casian
doctor habilitat, professor
Institution: Technical University of Moldova

Status

The thesis was presented on the 7 October, 2016
Approved by NCAA on the 15 November, 2016

Abstract

Adobe PDF document – 1.43 Mb / in romanian

Thesis

CZU 537.32/ 539.21

Adobe PDF document 3.32 Mb / in romanian
123 pages

Keywords

thermoelectricity, quasi-one-dimensional organic crystals, tetrathiotetracene-iodide, tetrathiotetracene-tetracyanoquinodimethane, molecular chains, electrical conductivity, Seebeck coefficient, thermal conductivity, thermoelectric figure-of-merit

Summary

The thesis was performed at the Technical University of Moldova in 2016. It is written in Romanian and consists of Introduction, four Chapters, General conclusions and recommendations, 194 References, 123 Pages of basic text, 38 Figures and one Table. The results presented in thesis are published in 23 scientific works.

Research field: thermoelectric properties of quasi-one-dimensional organic crystals.

The main purpose consists in modelling and analyzing the thermoelectric properties of quasi-one-dimensional organic crystals of p – type TTT2I3 and n – type TTT(TCNQ)2 in order to determine the optimum parameters for maximal thermoelectric efficiency.

The Objectives: the development of a more complete physical model in order to investigate the transport phenomena; the deduction of the kinetic equation of Boltzmann type and the numerical modelling of thermoelectric properties of the crystal; setting out the recommendations for experimental achievement of the predicted results.

Scientific novelty and originality: a new three-dimensional physical model for describing the kinetic processes in quasi-one dimensional organic crystals of TTT2I3 and TTT(TCNQ)2 type in the direction of molecular chains is developed; an original method for calculating the relaxation time of charge carriers and the thermoelectric coefficients is presented.

The scientific problem solved: a more accurate description of the thermoelectric properties and the numerical modeling of thermoelectric coefficients of quasi-one dimensional organic crystals of TTT2I3 and TTT(TCNQ)2 type was performed in the frame of the new physical model.

Theoretical and practical importance: A new complete physical model is proposed for describing and investigating the thermoelectric properties of quasi-one-dimensional organic crystals. A new method for obtaining the kinetic equation of Boltzmann type is proposed by using the retarded Green functions. The numerical modeling of thermoelectric coefficients for p – type and n – type crystals was performed. Also, a termoelectric module made of the mentioned crystals was modeled numerically, investigating the thermoelectric properties for using as thermoelectric generator and thermoelectric cooler. Some recommendations for optimizing thermoelectric properties of TTT2I3 and TTT(TCNQ)2 crystals are proposed. The obtained results are implemented experimentally in the frame of the international project FP7 Nr. 308768.