Time-resolved electrical conductance spectroscopy of chemical reactions on nano-space

The time-resolved electric conduction spectrum that tracks the time-resolved current-voltage characteristics of the chemical reaction of single molecules bridged between the electrodes was calculated by combining molecular dynamics and the equilibrium Green's function method. Analysis of the interactions between the electrons and the intramolecular vibrations revealed that the intramolecular vibrations affected the obtained spectrum of the electric conduction. Change in the electric conduction due to the chemical reaction was not hidden behind the change due to the intramolecular vibrations and was sufficiently large to track.