High-Throughput and Autonomous Grazing Incidence X-ray Diffraction Mapping of Organic Combinatorial Thin-Film Library Driven by Machine Learning

2020 ◽  
Vol 22 (7) ◽  
pp. 348-355
Author(s):  
Shingo Maruyama ◽  
Kana Ouchi ◽  
Tomoyuki Koganezawa ◽  
Yuji Matsumoto
Keyword(s):  
Thin Film ◽  
Machine Learning ◽  
High Throughput ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
Film Library ◽  
X Ray

Energy Dispersive Grazing Incidence X-ray Diffraction Study on Organic Thin Films EpitaxiaHy Grown on Crystalline Substrate

1995 ◽  
Vol 39 ◽  
pp. 659-664 ◽  
Author(s):  
Kenji Ishida ◽  
Akinori Kita ◽  
Kouichi Hayashi ◽  
Toshihisa Horiuchi ◽  
Shoichi Kal ◽  
...  
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Film Studies ◽  
Organic Thin Films ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Evaluation ◽  
Crystalline Substrate ◽  
Scattering Volume

Thin film technology is rapidly evolving today, and the characterization of the thin film and its surface have become very important issue not only from scientific but also technological viewpoints. Although x-ray diffraction measurements have been used as suitable evaluation methods in crystallography studies, its application to the structural evaluation of the thin films, especially organic one having the low electron densities, is not easy due to the small amounts of scattering volume and the high obstructive scattering noise from the substrate. However, the x-ray diffraction measurements under grazing incidence will aid not only in overcoming the such problems but also in analyzing in-plane structure of the thin films. Therefore, so-called grazing incidence x-ray diffraction (GIXD) has been recognized as one of the most powerful tools for the surface and thin film studies.

Progress in study of mono- and multilayers and thin film structure by X-ray reflectivity, grazing incidence X-ray diffraction and spectroscopy

2014 ◽  
Vol 83 (12) ◽  
Author(s):  
M A Shcherbina ◽  
S N Chvalun ◽  
Sergey Anatol'evich Ponomarenko ◽  
Mikhail Valentinovich Kovalchuk
Keyword(s):  
Thin Film ◽  
Grazing Incidence ◽  
Film Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thin Film Structure

scholarly journals Combinatorial Search for New Solar Water Splitting Photoanode Materials in the Thin-Film System Fe–Ti–W–O

2020 ◽  
Vol 234 (5) ◽  
pp. 867-885 ◽  
Author(s):  
Swati Kumari ◽  
Chinmay Khare ◽  
Fanxing Xi ◽  
Mona Nowak ◽  
Kirill Sliozberg ◽  
...  
Keyword(s):  
Thin Film ◽  
Water Splitting ◽  
Spin Coating ◽  
Photocurrent Density ◽  
Coated Sample ◽  
X Ray Diffraction ◽  
Film Library ◽  
X Ray ◽  
Solar Water ◽  
Solar Water Splitting

AbstractIn order to identify new solar water splitting photoanodes, Fe–Ti–W–O materials libraries were fabricated by combinatorial reactive co-sputtering and investigated by high-throughput characterization methods to elucidate compositional, thickness, and structural properties. In addition, photoelectrochemical measurements such as potentiodynamic photocurrent determination and open circuit potential measurements were performed using an automated scanning droplet cell. In the thin-film library, a quaternary photoactive region Fe30–49Ti29–55W13–22Ox was identified as a hit composition region, comprising binary and ternary phases. The identified region shows a distinct surface morphology with larger grains (∼200 nm) being embedded into a matrix of smaller grains (∼80–100 nm). A maximum photocurrent density of 117 μA/cm2 at a bias potential of 1.45 V vs. RHE in NaClO4 as an electrolyte under standard solar simulating conditions was recorded. Additional samples with compositions from the hit region were fabricated by reactive co-sputtering and spin coating followed by annealing. Synchrotron X-ray diffraction of sputtered Fe32Ti52W16Ox thin-films, annealed in air (600 °C, 700 °C, 800 °C) revealed the presence of the phases FeTiO3 and Ti0.54W0.46O2. The composition Fe48Ti30W22Ox from the hit region was fabricated by spin coating and subsequent annealing for a detailed investigation of its structure and photoactivity. After annealing the spin-coated sample at 650 °C for 6 h, X-ray diffraction results showed a dominant pattern with narrow diffraction lines belonging to a distorted FeWO4 (ferberite) phase along with broad diffraction lines addressed as Fe2TiO5 and in a small fraction also, Fe1.7Ti0.23O3. In hematite, Fe can be substituted by Ti, therefore we suggest that in the newfound ferberite-type phase, Ti partially substitutes for Fe leading to a small lattice distortion and a doubling of the monoclinic unit cell. In addition, Na from the substrate stabilizes the new phase: its tentative chemical formula is NaxFe0.33Ti0.67W2O8. A maximum photocurrent density of around 0.43 mA/cm2 at 1.45 V vs. RHE in 1M NaOH (pH ∼ 13.6) as an electrolyte was measured. Different aspects of the dependence of annealing and precursor solution concentration on phase transformation and photoactivity are discussed.

scholarly journals Cation disorder in CZTS materials from anomalous diffraction at KMC-2 (BESSY)

2014 ◽  
Vol 70 (a1) ◽  
pp. C1774-C1774
Author(s):  
Daniel Többens ◽  
Kai Neldner ◽  
Laura Valle-Rios ◽  
Susan Schorr
Keyword(s):  
Thin Film ◽  
Solar Cells ◽  
Grazing Incidence ◽  
Thin Film Solar Cells ◽  
Anomalous Scattering ◽  
X Ray Diffraction ◽  
Promising Alternative ◽  
X Ray ◽  
Cu And Zn ◽  
Absorption Edges

The compound semiconductor Cu2ZnSnS4 (CZTS) is a promising alternative for absorber layers in thin film solar cells, as it has a nearly ideal band gap of about 1.5 eV, a high absorption coefficient for visible light, and contains only earth abundant and non-toxic elements. Besides chemical composition and phase purity, the efficiency of CZTS thin film solar cells depends strongly on the concentration of Cu- and Zn-antisites and copper vacancies in the kesterite-type structure. However, Cu(I) and Zn(II) are isoelectric and thus cannot be distinguished by conventional X-ray diffraction. In prior work we determined Cu-Zn-distribution successfully from neutron scattering [1]. Here we present experiments utilizing anomalous X-ray diffraction on the K-edges of Cu and Zn. Anomalous scattering coefficients are heavily wavelength-dependent close to the absorption edges of the respective element. This is utilized for contrast enhancement. Usage of multiple wavelengths above, below and between the absorption edges of Cu and Zn ensures significant overdetermination, so that the Cu-, Zn-, and vacancy concentrations can be refined reliably for the independent crystallographic sites. Experiments were conducted at the diffraction end station of the KMC-2 beamline [2] at BESSY (Berlin, Germany). KMC-2 provides X-ray radiation with both very stable energies and intensities. The accessible energy range of 4 – 14 keV is ideally suited for the K-edges of Cu (8979 eV) and Zn (9659 eV). A 6-circle goniometer in psi-geometry allows both powder and grazing incidence diffraction, so that bulk samples and thin films can be measured. The instrument can be equipped with either a scintillation point detector (Cyberstar) or an area detector (Bruker Vantec), allowing to optimize resolution and intensity to the needs of the experiment.

In-plane anisotropy in thin-film media analyzed by grazing incidence X-ray diffraction [CoCrTaPt/Cr]

1997 ◽  
Vol 33 (5) ◽  
pp. 2971-2973 ◽  
Author(s):  
T. Hirose ◽  
H. Teranishi ◽  
M. Ohsawa ◽  
A. Ueda ◽  
O. Ishiwata ◽  
...  
Keyword(s):  
Thin Film ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
X Ray ◽  
Plane Anisotropy

Study of a chemical-vapor-deposited diamond thin film on a molybdenum substrate by glancing incidence X-ray diffraction

2007 ◽  
Vol 22 (4) ◽  
pp. 319-323 ◽  
Author(s):  
Jianfeng Fang ◽  
Jing Huo ◽  
Jinyuan Zhang ◽  
Yi Zheng
Keyword(s):  
Thin Film ◽  
Diffraction Analysis ◽  
Transition Layer ◽  
Chemical Vapor ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Thin Film ◽  
Chemical Vapor Deposited

The structure of a chemical-vapor-deposited (CVD) diamond thin film on a Mo substrate was studied using quasi-parallel X-ray and glancing incidence techniques. Conventional X-ray diffraction analysis revealed that the sample consists of a diamond thin film, a Mo2C transition layer, and Mo substrate. The Mo2C transition layer was formed by a chemical reaction between the diamond film and the Mo substrate during the CVD process. A method for layer-thickness determination of the thin film and the transition layer was developed. This method was based on a relationship between X-ray diffraction intensities from the transition layer or its substrate and a function of grazing incidence angles. Results of glancing incidence X-ray diffraction analysis showed that thicknesses of the diamond thin film and the Mo2C transition layer were determined successfully with high precision.

Analysis the Actual Nanostructure of α Phase Polyoctylfluorene Thin Film via Synchrotron Grazing-Incidence X-Ray Diffraction

2013 ◽  
Vol 333-335 ◽  
pp. 1832-1835
Author(s):  
Liu Ran Chen ◽  
Xi Chen ◽  
Ji Cai Liang ◽  
Ji Dong Zhang
Keyword(s):  
Thin Film ◽  
Grazing Incidence ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Α Phase ◽  
Out Of Plane ◽  
Diffraction Signal

The nanostructure of α phase polyoctylfluorene thin film was characterized using normal X-ray diffraction, one-dimensional out-of-plane grazing incidence X-ray diffraction and two-dimensional grazing incidence X-ray diffraction with lab diffractometer and synchrotron diffractometer. The results show that using grazing incidence X-ray diffraction the weak diffraction signal of thin film can be observed after the elimination of background signals. Incorrect (h10) diffraction signals can be collected by lab diffractometer due to its low collimation and resolution, which can be overcome by using synchrotron diffractometer with high collimation and resolution that reveal the actual microstructure of polyoctylfluorene thin film.

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