Thermoelectric energy conversion in molecular junctions out of equilibrium

This open-data repository includes all raw data files, the Python script (./plot.py), and the Mathematica notebook (./efficiency/beta8-40-gamma*/plot.nb) required to reproduce the figures presented in the manuscript: R. Tuovinen and Y. PavlyukhThermoelectric energy conversion in molecular junctions out of equilibrium The repository also contains the Mathematica notebook (./analytic_resonant_level.nb) used to evaluate the analytical results of Kara Slimane et al. (Phys. Rev. B, 2020), which are shown in Figures 3-6 of the manuscript. Additionally, the Python script (./fit/fit.py) for extracting the Seebeck voltages featured in Figure 8 of the manuscript and Figure S1 of the Supplemental Material is provided. The directory structure shown below is extracted from thermoelectric.zip. Once this is done, raw data files need to be extracted from the zip containers before running the respective scripts. .├── analytic_resonant_level.nb├── thermoelectric.zip├── efficiency│ ├── beta8-40-gamma0.006│ │ ├── effdata-beta8-40-gamma0.006.zip│ │ └── plot.nb│ └── beta8-40-gamma0.061│ ├── effdata-beta8-40-gamma0.061.zip│ └── plot.nb├── fit│ ├── data-beta1-10-gamma0.006│ │ └── fitdata-beta1-10-gamma0.006.zip│ ├── data-beta1-10-gamma0.061│ │ └── fitdata-beta1-10-gamma0.061.zip│ ├── data-beta8-40-gamma0.006│ │ └── fitdata-beta8-40-gamma0.006.zip│ ├── data-beta8-40-gamma0.061│ │ └── fitdata-beta8-40-gamma0.061.zip│ └── fit.py├── maindata.zip├── plot.py└── README.txt