Determining the C60 molecular arrangement in thin films by means of X-ray diffraction

2011 ◽  
Vol 44 (5) ◽  
pp. 983-990 ◽  
Author(s):  
Chris Elschner ◽  
Alexandr A. Levin ◽  
Lutz Wilde ◽  
Jörg Grenzer ◽  
Christian Schroer ◽  
...  
Keyword(s):  
Thin Films ◽  
Structural Information ◽  
Grazing Incidence ◽  
Test Material ◽  
C60 Fullerene ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molecular Arrangement ◽  
Diffraction Patterns

The electrical and optical properties of molecular thin films are widely used, for instance in organic electronics, and depend strongly on the molecular arrangement of the organic layers. It is shown here how atomic structural information can be obtained from molecular films without further knowledge of the single-crystal structure. C60 fullerene was chosen as a representative test material. A 250 nm C60 film was investigated by grazing-incidence X-ray diffraction and the data compared with a Bragg–Brentano X-ray diffraction measurement of the corresponding C60 powder. The diffraction patterns of both powder and film were used to calculate the pair distribution function (PDF), which allowed an investigation of the short-range order of the structures. With the help of the PDF, a structure model for the C60 molecular arrangement was determined for both C60 powder and thin film. The results agree very well with a classical whole-pattern fitting approach for the C60 diffraction patterns.

scholarly journals Indexing grazing-incidence X-ray diffraction patterns of thin films: lattices of higher symmetry

2019 ◽  
Vol 52 (2) ◽  
pp. 428-439 ◽  
Author(s):  
Josef Simbrunner ◽  
Sebastian Hofer ◽  
Benedikt Schrode ◽  
Yves Garmshausen ◽  
Stefan Hecht ◽  
...  
Keyword(s):  
Thin Films ◽  
Organic Semiconductors ◽  
Pyrolytic Graphite ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
Higher Symmetry ◽  
X Ray ◽  
Cell Parameters ◽  
Layered Crystals ◽  
Diffraction Patterns

Grazing-incidence X-ray diffraction studies on organic thin films are often performed on systems showing fibre-textured growth. However, indexing their experimental diffraction patterns is generally challenging, especially if low-symmetry lattices are involved. Recently, analytical mathematical expressions for indexing experimental diffraction patterns of triclinic lattices were provided. In the present work, the corresponding formalism for crystal lattices of higher symmetry is given and procedures for applying these equations for indexing experimental data are described. Two examples are presented to demonstrate the feasibility of the indexing method. For layered crystals of the prototypical organic semiconductors diindenoperylene and (ortho-difluoro)sexiphenyl, as grown on highly oriented pyrolytic graphite, their yet unknown unit-cell parameters are determined and their crystallographic lattices are identified as monoclinic and orthorhombic, respectively.

scholarly journals Indexing grazing-incidence X-ray diffraction patterns of thin films

2019 ◽  
Vol 75 (a2) ◽  
pp. e715-e715
Author(s):  
Josef Simbrunner ◽  
Sebastian Hofer ◽  
Benedikt Schrode ◽  
Ingo Salzmann ◽  
Roland Resel
Keyword(s):  
Thin Films ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns

scholarly journals Highly Stable Thin Films Based on Novel Hybrid 1D (PRSH)PbX3 Pseudo-Perovskites

Nanomaterials ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 2765
Author(s):  
Gabriele Calabrese ◽  
Candida Pipitone ◽  
Diego Marini ◽  
Francesco Giannici ◽  
Antonino Martorana ◽  
...  
Keyword(s):  
Thin Films ◽  
Mixed Solvents ◽  
Volume Ratio ◽  
Grazing Incidence ◽  
Film Deposition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Perovskite Materials ◽  
Anion Type ◽  
Solvent Volume

In this study, the structure and morphology, as well as time, ultraviolet radiation, and humidity stability of thin films based on newly developed 1D (PRSH)PbX3 (X = Br, I) pseudo-perovskite materials, containing 1D chains of face-sharing haloplumbate octahedra, are investigated. All films are strongly crystalline already at room temperature, and annealing does not promote further crystallization or film reorganization. The film microstructure is found to be strongly influenced by the anion type and, to a lesser extent, by the DMF/DMSO solvent volume ratio used during film deposition by spin-coating. Comparison of specular X-ray diffraction and complementary grazing incidence X-ray diffraction analysis indicates that the use of DMF/DMSO mixed solvents promotes the strengthening of a dominant 100 or 210 texturing, as compared the case of pure DMF, and that the haloplumbate chains always lie in a plane parallel to the substrate. Under specific DMF/DMSO solvent volume ratios, the prepared films are found to be highly stable in time (up to seven months under fluxing N2 and in the dark) and to highly moist conditions (up to 25 days at 78% relative humidity). Furthermore, for representative (PRSH)PbX3 films, resistance against ultraviolet exposure (λ = 380 nm) is investigated, showing complete stability after irradiation for up to 15 h at a power density of 600 mW/cm2. These results make such thin films interesting for highly stable perovskite-based (opto)electronic devices.

scholarly journals Effect of indium content on X- ray diffraction and optical constants of InxSe1-x thin films

2019 ◽  
Vol 14 (29) ◽  
pp. 55-72
Author(s):  
Bushra A. Hasan
Keyword(s):  
Thin Films ◽  
Optical Constants ◽  
Indium Content ◽  
Degree Of Crystallinity ◽  
X Ray Diffraction ◽  
Dispersion Energy ◽  
X Ray ◽  
Evaporation Technique ◽  
High Indium Content ◽  
Diffraction Patterns

Alloys of InxSe1-x were prepared by quenching technique withdifferent In content (x=10, 20, 30, and 40). Thin films of these alloyswere prepared using thermal evaporation technique under vacuum of10-5 mbar on glass, at room temperature R.T with differentthicknesses (t=300, 500 and 700 nm). The X–ray diffractionmeasurement for bulk InxSe1-x showed that all alloys havepolycrystalline structures and the peaks for x=10 identical with Se,while for x=20, 30 and 40 were identical with the Se and InSestandard peaks. The diffraction patterns of InxSe1-x thin film showthat with low In content (x=10, and 20) samples have semicrystalline structure, The increase of indium content to x=30decreases degree of crystallinity and further increase of indiumcontent to x=40 leads to convert structure to amorphous. Increase ofthickness from 300 to 700nm increases degree of crystallinity for allindium content. Transmittance measurements were used to calculaterefractive index n and the extinction coefficient k using Swanepole’smethod. The optical constants such as refractive index (n), extinctioncoefficient (k) and dielectric constant (εr, εi) increases for low indiumcontent samples and decreases for high indium content samples,while increase of thickness increases optical constants for all xvalues. The oscillator energy E0, dispersion energy Ed, and otherparameters have been determined by Wemple - DiDomenico singleoscillator approach.

scholarly journals Single-Crystal-like Structure of Poly(9,9-dioctylfluorene) Thin Films Evaluated by Synchrotron-Sourced Grazing-Incidence X-ray Diffraction

2007 ◽  
Vol 39 (12) ◽  
pp. 1306-1311 ◽  
Author(s):  
Masahiro Misaki ◽  
Shuichi Nagamatsu ◽  
Masayuki Chikamatsu ◽  
Yuji Yoshida ◽  
Reiko Azumi ◽  
...  
Keyword(s):  
Thin Films ◽  
Single Crystal ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
X Ray
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