The electronic and tunable optical properties exihibited by p- phenylene- ethynylenes make them excellent candidates for single molecule electronics. A family of derivatives with different electronic properties can be created by adding various functionalzied side groups, which effect the conductance properties of the phenylene- ethynylene backbone. These derivatives with different electronic properties can be utilized to implement novel logic functions in nano circuits. Here we present the results of a combined theoretical and experimental investigation of the adsorption characteristics, electronic structure and bonding geometry of single 1,4- bis(phenylethynyl)- 2,5bis(ethoxy)benzene (PPEB) molecules on the Au(111) surface. DFT calculations of the DOS and adsorption geometry were found to be in qualitative agreement with low temperature STM images and STS measurements. The strength of the bonding interaction to the substrate was also calculated.
The electronic and tunable optical properties exihibited by p- phenylene- ethynylenes make them excellent candidates for single molecule electronics. A family of derivatives with different electronic properties can be created by adding various functionalzied side groups, which effect the conductance properties of the phenylene- ethynylene backbone. These derivatives with different electronic properties can be utilized to implement novel logic functions in nano circuits. Here we present the results of a combined theoretical and experimental investigation of the adsorption characteristics, electronic structure and bonding geometry of single 1,4- bis(phenylethynyl)- 2,5bis(ethoxy)benzene (PPEB) molecules on the Au(111) surface. DFT calculations of the DOS and adsorption geometry were found to be in qualitative agreement with low temperature STM images and STS measurements. The strength of the bonding interaction to the substrate was also calculated.