Fig. 5: MD simulations and thermoelectric conversion. | Nature Communications

Fig. 5: MD simulations and thermoelectric conversion.

From: Giant gateable thermoelectric conversion by tuning the ion linkage interactions in covalent organic framework membranes

Fig. 5

a Snapshots showing the transmembrane migration of K+ (in pink) and Cl− (in green) ions through the COF layers (colored in blue). b Profiles of ion density along the z-axis within the COF, with orange dashed lines marking the membrane boundaries. c A two-dimensional density map that illustrates the spatial distribution of Cl− and K+ ions across the xy plane of the membrane. d RDF plots for Cl− and K+ ions in relation to H atoms within the COF. e PMF profiles depicting the energy landscape encountered by Cl− and K+ ions during their transit through the COF membrane. f I–V curves for varying KCl concentrations under a 10 K temperature gradient; inset shows a schematic of the experimental setup. g Plots of output power density and membrane resistance as functions of KCl concentration, under a constant 10 K temperature differential. h Relationship between output power density and temperature gradient in the thermoelectric generator equipped with the COF-TpPa/PAN membrane. Error bars indicate standard deviations from three independent experiments. Error bars represent standard deviation of three different measurements.

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