Improvement of thermoelectric power of carbon nanotubes by Pd adsorption

Abstract

We have investigated the possibility of thermoelectric power generation using carbon nanotubes (CNT). Because CNT have many carbon vacancy defects, which lower their thermoelectric properties. We have theoretically showed palladium adsorption method expected to improve thermoelectric properties by first-principles calculation based on the density functional theory (DFT) combined with the non-equilibrium Green’s function (NEGF) method, and provide design guidelines for improving thermoelectric properties.