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Title: Synthesis and structure of high-quality films of copper polyphthalocyanine – 2D conductive polymer

Graphical abstract: - Highlights: • 2D polymers show a big promise for science and technology. • We develop a new procedure for the direct synthesis of copper polyphthalocyanine. • We obtain reliable experimental data on the CuPPC structure. • With the support of quantum chemical calculations we describe electronic structure of CuPPC. - Abstract: Copper polyphthalocyanine (CuPPC), a 2D conjugated polymer, is a promising material for electronics and photovoltaics, but its applications were hindered by a poor processability. We propose an experimental approach, by which thin films of CuPPC, can be directly synthesized in a chemical vapor deposition (CVD) set-up at mild temperature (420 °C). High polymerization degree and high crystallinity of the films were confirmed by TEM, FTIR and UV–vis studies. From XRD and TEM electron diffraction, we conclude that the polymer has AA layer stacking with the inter-layer distance of 0.32 nm. The assignment of X-ray and TEM diffraction patterns was based on quantum-chemical calculations. Based on the latter, we also discuss electronic structure and conclude that CuPPC is rather a semi-metal than semi-conductor.
Authors:
 [1] ;  [2] ;  [3] ; ; ;  [1] ;  [1]
  1. Institute of Microelectronics Technology and High Purity Materials RAS, Institutskaya Street, 6, Chernogolovka 142432 (Russian Federation)
  2. Chemistry Department, Moscow State University, 119991 Moscow (Russian Federation)
  3. Universität Bielefeld, Lehrstuhl für Anorganische Chemie und Strukturchemie, Universitätsstrasse 25, D-33615 Bielefeld (Germany)
Publication Date:
OSTI Identifier:
22285124
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Research Bulletin; Journal Volume: 48; Journal Issue: 10; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CHEMICAL VAPOR DEPOSITION; COPPER; CRYSTAL STRUCTURE; ELECTRON DIFFRACTION; ELECTRONIC STRUCTURE; INFRARED SPECTRA; PHOTOVOLTAIC EFFECT; POLYMERS; SYNTHESIS; THIN FILMS; TRANSMISSION ELECTRON MICROSCOPY; X-RAY DIFFRACTION