Zigzag graphene nanoribbons separated by F/O as interconnects for all-carbon integrated circuits: A DFT investigation

Abstract

Adsorbing atom is a promising technology for graphene nanoribbons separation. Using a combination of density functional theory (DFT) and non-equilibrium Green's function (NEGF), we investigated stability and electronic transport properties of zigzag graphene nanoribbons (ZGNRs) that adsorb a row of fluorine or oxygen atoms on the central zigzag carbon chain. Results indicate that all ZGNRs after adsorption can exist stably. Adsorbing separation has excellent current work in comparison with the results of mechanical separation. Transmission pathways of electrons and local density of states (LDOS) reveal that fluorinated carbon chain can prevent electrons moving. Two sections on the ZGNR are separated by the row of fluorine atoms that are shown to function as a transport boundary between them. However, the row of oxygen atoms cannot separate ZGNR. Electrons tend to move around oxygen atoms and the lone-pair electrons of oxygen atoms participate in the transport of electrons, resulting in an improvement of carrier mobility. Realizing this adsorbing separation of ZGNR will provide new ideas for interconnects wiring in all-carbon integrated circuits.