Investigation the effect of linkers in Zinc Porphyrin dimer Molecular Junctions on the Electrical and Thermoelectric Properties

Abstract

The development of higher oligomeric porphyrin arrays represents a promising
pathway toward next-generation molecular electronics. In this study, the
thermoelectric properties of five zinc porphyrin dimers (ZnP) were theoretically
investigated by analyzing electron transport through Zn-porphyrin dimers connected
between gold electrodes via five distinct configurations. The impact of the presence,
type, position, and number of linkers on the electrical and thermoelectric properties
was systematically examined. The results demonstrate that transitioning from direct to
linker-mediated contacts significantly alters both electrical and thermal conductance.
Moreover, variations in linker position and number strongly influence electrical
conductivity, thermal conductivity, and thermopower (S). These findings underscore
the critical role of linker engineering in controlling the electrical and thermoelectric
performance of zinc porphyrin dimers for molecular electronic applications.