Significantly enhanced thermoelectric performance in intermediate weak-coupling C-BTBT molecular junctions with p/n-type electrode doping

For single-molecular junctions, the inherent energy mismatch between the central molecule and electrodes requires a delicate balance between electronic and phonon transport properties. Based on a combination of density functional theory and the non-equilibrium Green's function method, we have p...

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Veröffentlicht in:	Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2021-09, Vol.9 (36), p.12322-12329
Hauptverfasser:	Zhang, Bei, Zhang, Shidong, Dong, Jiwei, Sun, Yaoxin, Ouyang, Fangping, Long, Mengqiu
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