Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 134, Issue 35, Pages 14302-14305Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja305760b
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Funding
- U.K. Engineering and Physical Sciences Research Council (EPSRC) [EP/F056362/1, EP/F056184/1]
- New Zealand Foundation for Research, Science and Technology [CO8X0409]
- EPSRC [EP/F039948/1, EP/F04139X/1]
- EPSRC [EP/F039948/1, EP/H002022/1, EP/J500161/1, EP/F04139X/1, EP/F056184/1, EP/F056362/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/H002022/1, EP/J500161/1, EP/F056184/1, EP/F039948/1, EP/F056362/1, EP/F04139X/1] Funding Source: researchfish
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The structure of copper phthalocyanine (CuPc) thin films (5-100 nm) deposited on single-crystal ZnO(1 (1) over bar 00) substrates by organic molecular beam deposition was determined from grazing-incidence X-ray diffraction reciprocal space maps. The crystal structure was identified as the metastable polymorph alpha-CuPc, but the molecular stacking was found to vary depending on the film thickness: for thin films, a herringbone arrangement was observed, whereas for films thicker than 10 nm, coexistence of both the herringbone and brickstone arrangements was found. We propose a modified structure for the herringbone phase with a larger monoclinic beta angle, which leads to intrastack Cu-Cu distances closer to those in the brickstone phase. This structural basis enables an understanding of the functional properties (e.g., light absorption and charge transport) of (opto)electronic devices fabricated from CuPc/ZnO hybrid systems.
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