Electronic properties of binary and mixed [RMNH]n (R=H,CH3, M=Al,Ga,In) oligomers

Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R3-[MRNH]3n-H3 and [RMNH]n+1 (M=Ga,Al,In R=H,CH3) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8 nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.