Electron and heat transport in porphyrin-based single-molecule transistors with electro-burnt graphene electrodes

• Hatef Sadeghi,
• Sara Sangtarash and
• Colin J. Lambert

Beilstein J. Nanotechnol. 2015, 6, 1413–1420, doi:10.3762/bjnano.6.146

• configurations at the electrodes. This can lead to rectification in the current–voltage characteristic of the junction. Keywords: electro-burnt graphene electrodes; nanoelectronics; porphyrin; single-molecule transistor; Introduction Transistors are the fundamental building blocks of modern electronic devices

• gating as a result of the reduced screening. Here, we study the charge and thermal transport characteristics through a porphyrin single-molecule transistor with electro-burnt graphene electrodes using the nonequilibrium Green’s function method and density functional theory. First we discuss the

• electronic structure of the prophyrin molecule. Then we study the electro-burnt graphene electrodes and finally the two-terminal device in which the anchor groups of the porphyrin molecule bind to the graphene electrodes by p-orbital overlap. We then discuss the contribution of each part of the molecule to