Single-molecule refrigerators: Substitution and gate effects

Using a first-principles approach, we investigate the quantum cooling effects in single-molecule junctions. In comparison with the unsubstituted butanethiol single-molecule junction as a refrigerator, the amino-substituted butanethiol single-molecule junction shows significant enhancement in the coefficient of performance (COP). The enhancement is attributed to the appearance of new states in the neighborhood of chemical potentials due to amino substitution. The COP of butanethiol refrigerator can be improved further by the gate voltages.