Study on spin-dependent thermoelectric transport properties of graphene nanoribbon molecular devices modulated by DNA bases adsorption

This study employs density functional theory and non-equilibrium Green's function methods to investigate the thermoelectric and thermal spin transport properties of four molecular devices, which are constructed by four different DNA base molecules, adenine (A), guanine (G), cytosine (C), thymine (T), adsorbing on graphene nanoribbon (GNR). The research reveals that the Device-G and Device-C adsorption turn on a spin-down electron transport channel, resulting in a strongly spin-polarized current. When a temperature difference is applied at GNR electrodes, the values of thermoelectric both charge current and spin current follows the device sequence A < T < C < G. Further analysis indicates that the adsorption of base molecules on graphene substrates effectively enhances electronic conductance, with the thermoelectric performance of adsorbed G and C significantly surpassing those of A and T. This research provides insights into the potential of thermoelectric method for DNA bases recognition.