Calculation of the characteristics of electron transport through molecular clusters

The relation between molecular energy spectra and transport characteristics properties of monomolecular single-electron tunneling transistor based on this molecule were investigated. In order to approach it we first calculated single-electron molecular energy spectra of small molecules of carborane C 2 B 10 H 12 , fullerene C 60 and platinum molecular cluster Pt 5 (CO) 6 (PPh 3 ) 4 for their different ground and excited charge energy states. Effective capacitance parameters and transport spectrum of single-electron states of each of the molecules were established and the concept of molecular transport spectra was introduced. Using Monte Carlo simulation method we calculated transport characteristics of monomolecular single-electron transistor and gave a brief comparison with available experimental data.