DFT calculated electrical and thermoelectric properties of the three DPP derivatives attached to gold electrodes (IMAGE)

Science China Press

DFT calculated electrical and thermoelectric properties of the three DPP derivatives attached to gold electrodes

Caption

(a) Models for F-DPP, T-DPP and Thia-DPP respectively; (b) The calculated room-temperature electrical conductance of F-DPP, T-DPP and Thia-DPP as a function of Fermi energy; (c) The calculated room-temperature Seebeck coefficients of F-DPP, T-DPP and Thia-DPP as a function of Fermi energy

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