Abstract
In this paper, we newly investigated the thermoelectric properties of the armchair graphene nanoribbons formed by partially adsorption of hydrogen and fluorine atoms. The electronic band structure of the system with the good thermoelectric performance is characterized by concentrating several bands within the range of 0.2 eV of the conductive band minimum. Especially, the hybrid systems formed by 3 width adsorption with H and F atoms into middle part of GNR have the best thermoelectric characteristics. Moreover, the both edges termination by H atoms play a significant role in enhancement the electronic and thermoelectric properties. These results might be helpful for guessing the thermoelectric properties of the materials from their electronic band structures.
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