A theoretical basis for the enhancement of Seebeck coefficients in supramolecular thermocells

Abstract

Seebeck coefficients (Se) of supramolecular thermocells harnessing four kinds of cyclodextrins as host molecules were investigated. Theoretical analysis revealed that association enthalpy between the hosts and triiodide has a major influence on the Seebeck coefficients of the thermocells. Thermodynamic parameters of hostguest associations were evaluated by isothermal titration calorimetry, which is in good agreement with the theoretically estimated values from thermocell measurements. This result provides a guideline to estimate Seebeck coefficient of supramolecular thermocells and to determine the thermodynamic parameters.