Open AccessKinetics of Charge Transfer Processes in Molecular Junctions
Author(s) -
Е. С. Петров
Publication year - 2022
Publication title -
ukrainian journal of physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.213
H-Index - 17
eISSN - 2071-0194
pISSN - 2071-0186
DOI - 10.15407/ujpe56.7.721
Subject(s) - master equation , charge (physics) , quantum , electron , physics , time evolution , electron transfer , chemical physics , transfer (computing) , kinetics , statistical physics , reaction rate constant , quantum mechanics , chemistry , computer science , parallel computing
A kinetic master equation for state populations of a quantum system comprised of separate quantum subsystems, is derived. The equation allows one to describe the charge transfer processes in molecular junctions, where the molecule operates as a transmitter of electrons between the electrodes. Special attention is given to the derivation of contact and distant rate constants responsible for the formation of sequential (hopping) and direct (distant) components of the current, as well as for the time evolution of molecular state probabilities.