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

• Published in: European physical journal. Applied physics Vol. 64; no. 1; p. 10202
• Main Authors: Šebera, Jakub, Fitl, Přemysl, Vlček, Jan, Vrňata, Martin, Fendrych, František, Kopeček, Jaromír, Kratochvílová, Irena
• Format: Journal Article
• Language: English
• Published: Les Ulis EDP Sciences 01.10.2013
• ISSN: 1286-0042; 1286-0050
• DOI: 10.1051/epjap/2013120188

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.