Negative differential resistance in C58X2 and C68X2 (X=N,BX=N,B) molecular junctions

We have investigated the electronic transport properties of molecular junctions constructed by C58X2 and C68X2 (X=B,NX=B,N) molecules that are coupled through carbon (C), boron (B) and nitrogen (N) atoms to two semi-infinite SWCNT electrodes. For the systems under investigation, we study effects of contacts and Coulomb interaction. Our results indicate that the presence of Coulomb interaction decreases current and shifts the NDR behavior to higher voltage.