Interaction of selected gases with zinc phthalocyanine thin films: theoretical and experimental studies

¹ Institute of Physics, Academy of Sciences of the Czech Republic v.v.i, Na Slovance 2, 182 21 Prague 8, Czech Republic
² Institute of Organic Chemistry and Biochemistry of the AS CR, v.v.i., Flemingovo sq. 2., 166 10 Prague 6, Czech Republic
³ Department of Physics and Measurements, Institute of Chemical Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic

^a e-mail: krat@fzu.cz

Received: 16 May 2012
Revised: 15 October 2012
Accepted: 20 September 2013
Published online: 25 October 2013

Abstract

In this work we studied both theoretically and experimentally interactions between zinc phthalocyanine (ZnPc) and selected gases (Ar, He, N₂, O₂, H₂, NO₂). Specifically, we focused on electrical conductivity as important macroscopical physical parameter reflecting ZnPc/gas complexes interaction states. To interpret the measured data and determine the main parameters that influence the resistivity/charge transport ability of ZnPc in a specific gas atmosphere, the density functional theory (DFT) has been used. Combining experimental results and DFT modeling we were able to characterize states/parameters influencing charge transport conditions from new and comprehensive perspectives.