Calculation of the number of conduction channels in a single-electron reservoir network on metal-organic framework polymers

Abstract

Single-particle energy spectra of one-dimensional metal-organic framework chain’s fragments were obtained with the density functional theory method. An effective resistance of an organic part of the polymer, coulomb energy and effective capacitance of a charge center were calculated. The number of conductive channels in an experimentally studied reservoir network based on the observed polymer chains was estimated.