The study of the charge transfer processes in biomacromolecules such as DNA is essential for the development of nanobioelectronics, design and construction of DNA-based nanowires, memory devices, logical elements, etc. Mathematical and computer modeling of charge transfer in biopolymer chains is an important part of these investigations. Some properties of charge transfer can be demonstrated by modeling of two-site chain. Based on the semi-classical Holstein model we consider a system of two sites and charged particle (electron or hole) in which the oscillations of the first site are not related to the charge motion, and the parameters of the second site correspond to a small-radius polaron. The system steady states depending on the electron energy H at the second site are studied numerically. The dynamics of the charge initially localized at the first site is modeled. Various modes depending on H are demonstrated: charge tunneling, resonant transfer, and lack of transfer.
The Rate of Charge Tunneling through Self-Assembled Monolayers Is Insensitive to Many Functional Group Substitutions
