X-ray Diffraction and Modelling Studies of Multilayer SnO2 Thin Film Gas Sensors

1995 ◽  
Vol 403 ◽  
Author(s):  
L. E. Depero ◽  
C. Perego ◽  
L. Sangaletti ◽  
G. Sberveglieri
Keyword(s):  
Thin Film ◽  
Orthorhombic Phase ◽  
Sno2 Thin Film ◽  
X Ray Diffraction ◽  
X Ray ◽  
Modelling Studies ◽  
Cation Coordination ◽  
Diffraction Patterns ◽  
Two Phases ◽  
The Relationship

AbstractStructural studies have been carried out on SnO2 multilayer thin film grown by the Rheotaxial Growth and Thermal Oxidation method on A120 3 substrates. A preliminary analysis of the X-ray diffraction patterns shows that, in addition to the Sn0 2 cassiterite phase, a strong contribution from an orthorhombic Sn02 phase is present.In the case of the 3-layer film, the orthorhombic phase is structurally and microstructurally stable after an annealing up to 32 h at 400 'C. The cation coordination is similar to that found in cassiterite, but the chains of edge-sharing [SnO6]8- octahedra run in a zig-zag fashion along the [100] direction, each straight unit containing four octahedra. The relationship between the two phases is discussed on the basis of structural simulations including twinning planes in the crystal structure.

scholarly journals Deep learning for visualization and novelty detection in large X-ray diffraction datasets

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Lars Banko ◽  
Phillip M. Maffettone ◽  
Dennis Naujoks ◽  
Daniel Olds ◽  
Alfred Ludwig
Keyword(s):  
Thin Film ◽  
Crystal Structure ◽  
Artificial Intelligence ◽  
Deep Learning ◽  
Novelty Detection ◽  
Structural Similarity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns ◽  
Post Hoc

AbstractWe apply variational autoencoders (VAE) to X-ray diffraction (XRD) data analysis on both simulated and experimental thin-film data. We show that crystal structure representations learned by a VAE reveal latent information, such as the structural similarity of textured diffraction patterns. While other artificial intelligence (AI) agents are effective at classifying XRD data into known phases, a similarly conditioned VAE is uniquely effective at knowing what it doesn’t know: it can rapidly identify data outside the distribution it was trained on, such as novel phases and mixtures. These capabilities demonstrate that a VAE is a valuable AI agent for aiding materials discovery and understanding XRD measurements both ‘on-the-fly’ and during post hoc analysis.

Annealing effect on the optical and photoelectrochemical properties of lead oxide

2018 ◽  
Vol 84 (3) ◽  
pp. 30301 ◽  
Author(s):  
Wided Zerguine ◽  
Djamila Abdi ◽  
Farid Habelhames ◽  
Meriem Lakhdari ◽  
Hassina Derbal-Habak ◽  
...  
Keyword(s):  
Lead Oxide ◽  
Orthorhombic Phase ◽  
Heat Treatments ◽  
Photoelectrochemical Properties ◽  
X Ray Diffraction ◽  
Vis Spectroscopy ◽  
Size And Morphology ◽  
Two Phases ◽  
P Type ◽  
The Relationship

Effect of the annealing oxidation time of electrodeposited lead (Pb) on the phase formation of lead oxide (PbO) films is reported. The phase structure, optical properties, size and morphology of the films were investigated by scanning electron microscopy, X-ray diffraction and UV-vis spectroscopy. The relationship between structur and photoelectrochemical properties was investigated. Thin films of PbO produced via air annealing of electrodeposited lead consist of a mixture of two phases, orthorhombic (o-PbO) and tetragonal (t-PbO), that determine the material properties and effectiveness as absorber layer in a photoelectrochemical device. The proportion of tetragonal t-PbO increases for longer heat treatments. After 40 h, the sample consists mainly of tetragonal t-PbO. The p-type semiconducting behavior of lead oxide was studied by photocurrent measurements. Different heat treatments yield variations in the ratio of tetragonal to orthorhombic lead oxide that effect on device performances, where devices with a higher content of tetragonal t-PbO show higher photocurrent than with the orthorhombic phase.

Sinterbility of (Bi4-xLax)Ti3O12 Ceramics

2008 ◽  
Vol 55-57 ◽  
pp. 841-844 ◽  
Author(s):  
Pasinee Siriprapa ◽  
Anucha Watcharapasorn ◽  
Sukanda Jiansirisomboon
Keyword(s):  
Grain Orientation ◽  
Sintering Temperature ◽  
Orthorhombic Phase ◽  
Preferred Orientation ◽  
Doping Content ◽  
X Ray Diffraction ◽  
Microstructural Investigation ◽  
X Ray ◽  
Lanthanum Titanate ◽  
Diffraction Patterns

This research studied the effects of sintering temperature and La3+ doping content on phase, microstructure and densification of bismuth lanthanum titanate (Bi4-xLaxTi3O12; BLT) ceramics when x = 0, 0.25, 0.5, 0.75 and 1.0, respectively. The BLT powders were prepared using a mixed-oxide method. The mixtures were calcined at 750°C for 4 h before being pressed and sintered at 1000-1150°C for 4 h. The result of phase analysis by X–ray diffraction (XRD) indicated the existence of orthorhombic phase for all sintering temperatures. The XRD peak intensities of the ceramics showed preferred orientation of a particular set of {00l}-type planes. The ceramics mainly composed of plate-like grains. Increasing the sintering temperature increased grain size and increased preferred grain orientation. The present of La3+ in BLT ceramics reduced preferred orientation especially at higher sintering temperature. Results of microstructural investigation agreed well with X-ray diffraction patterns.

Effects of Donor Doping on Microstructure and Electrical Properties of Bismuth Layer-Structured Bi4Ti3O12 Ceramics

2007 ◽  
Vol 280-283 ◽  
pp. 259-262 ◽  
Author(s):  
Lina Zhang ◽  
Su Chuan Zhao ◽  
Liao Ying Zheng ◽  
Guo Rong Li ◽  
Qing Rui Yin
Keyword(s):  
Electrical Conductivity ◽  
High Temperature ◽  
Electrical Properties ◽  
Ferroelectric Properties ◽  
Orthorhombic Phase ◽  
X Ray Diffraction ◽  
Suitable Candidate ◽  
X Ray ◽  
Donor Doping ◽  
Diffraction Patterns

A study was conducted on the effects of donor dopants, Nb2O5 and WO3, on microstructure and electric properties of Bi4Ti3O12 (BIT) ceramics. X-ray diffraction patterns of the materials showed a single orthorhombic phase structure. The microstructure results revealed the appearance of plate-like grain. The donor doping decreased the conductivity of BIT by as much as 3 orders of magnitude. The dielectric and ferroelectric properties of doped-BIT materials were also investigated. The decrease in the electrical conductivity allowed the doped samples to be poled to develop piezoelectricity. Thermal annealing studies of the samples indicated the donor-doped BIT were suitable candidate materials for high-temperature piezoelectric applications.

Modified palm stearin compatibilized natural rubber/halloysite nanotubes composites: Reinforcement versus strain-induced crystallization

2020 ◽  
pp. 009524432092857
Author(s):  
Nureeyah Jehsoh ◽  
Indra Surya ◽  
Kannika Sahakaro ◽  
Hanafi Ismail ◽  
Nabil Hayeemasae
Keyword(s):  
Natural Rubber ◽  
Palm Stearin ◽  
Halloysite Nanotubes ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Strain Induced Crystallization ◽  
Diffraction Patterns ◽  
The Relationship ◽  
Induced Crystallization

Natural rubber (NR) is known as hydrophobic material and is incompatible with hydrophilic filler such as halloysite nanotubes (HNTs). To overcome this obstacle, the compatibilizer is a material of choice to incorporate in such compound. In this study, bio-based compatibilizer was used which was prepared by modification of palm stearin. The presence of special functionalities of modified palm stearin (MPS) was confirmed by Fourier transform infrared (FTIR) analysis. It was then varied from 0.5 phr to 2 phr to the NR matrix. Here, the properties were evaluated through the mechanical properties with special attention to the relationship between their reinforcement and crystallization behavior after stretching. It was found that the addition of MPS significantly enhanced the modulus, tensile strength, and tear strength of the composites. This clearly corresponded to interaction between NR and HNT promoted by MPS. The FTIR spectrum, X-ray diffraction patterns, and scanning electron microscopy images were also utilized to verify the behavior of MPS in the NR/HNT composites. As for the crystallization of the composites, the results obtained from stress–strain curves are in very good agreement to the outputs observed by the synchrotron wide-angle X-ray scattering. This corresponding interaction of MPS has greatly influenced on assisting the strain-induced crystallization of composites.

Kyzylkumite, Ti2V3+O5(OH): new structure type, modularity and revised formula

2013 ◽  
Vol 77 (1) ◽  
pp. 33-44 ◽  
Author(s):  
T. Armbruster ◽  
B. Lazic ◽  
L. Z. Reznitsky ◽  
E. V. Sklyarov
Keyword(s):  
Structure Type ◽  
Close Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Atom Position ◽  
Diffraction Patterns ◽  
Modular Structures ◽  
The Relationship ◽  
Atom Position ◽  
South Baikal

AbstractThe crystal structure of kyzylkumite, ideally Ti2V3+O5 (OH), from the Sludyanka complex in South Baikal, Russia was solved and refined (including the hydrogen atom position) to an agreement index, R1, of 2.34% using X-ray diffraction data collected on a twinned crystal. Kyzylkumite crystallizes in space group P21/c, with a = 8.4787(1), b = 4.5624(1), c = 10.0330(1) Å , β = 93.174(1)º, V = 387.51(1) Å3 and Z = 4. Tivanite, TiV3+O3OH, and kyzylkumite have modular structures based on hexagonal close packing of oxygen, which are made up of rutile [TiO2] and montroseite [V3+O(OH)] slices. In tivanite the rutile:montroseite ratio is 1:1, in kyzylkumite the ratio is 2:1. The montroseite module may be replaced by the isotypic paramontroseite V4+O2 module, which produces a phase with the formula Ti2V4+O6. In the metamorphic rocks of the Sludyanka complex, vanadium can be present as V4+ and V3+ within the same mineral (e.g.in batisivite, schreyerite and berdesinskiite). Kyzylkumite has a flexible composition with respect to the M4+/M3+ ratio. The relationship between kyzylkumite and a closely related Be-bearing kyzylkumite-like mineral with an orthorhombic norbergite-type structure from Byrud mine, Norway is discussed. Both minerals have similar X-ray powder diffraction patterns.

Improved powder diffraction patterns for synthetic paranatisite and natisite

2002 ◽  
Vol 17 (3) ◽  
pp. 234-237 ◽  
Author(s):  
S. Ferdov ◽  
V. Kostov-Kytin ◽  
O. Petrov
Keyword(s):  
Data Interpretation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
Two Phases ◽  
Xrd Patterns ◽  
First Time

Synthetic analogues of the minerals natisite and for the first time of paranatisite were prepared hydrothermally at 200 °C in the system Na2O–TiO2–SiO2–H2O. The obtained powder x-ray diffraction (XRD) patterns were interpreted by the Powder Data Interpretation (PDI) software package. As a result improved indexing and unit cell parameters refinements of these two phases were achieved. Synthetic natisite is tetragonal, space group—P4/nmm, a=0.649 67(8) nm, c=0.508 45(11) nm, V=0.214 50(10) nm3, Z=2, Dcal=3.13 g.cm−1, F30=37.48, M20=52.79. Synthetic paranatisite is orthorhombic, space group—Pmma, a=0.983 86(29) nm, b=0.919 23(19) nm, c=0.481 84(12) nm, V=0.435 78(19) nm3, Z=1, Dcal=3.01 g.cm−1, F30=16.42, M20=29.21.

Francolite in a concretion from argillaceous sediments in the Westphalian of Yorkshire

1977 ◽  
Vol 41 (318) ◽  
pp. 287-287 ◽  
Author(s):  
Mike J. Pearson
Keyword(s):  
Electron Microprobe ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Carbonate Fluorapatite ◽  
Phosphate Phase ◽  
Two Phases ◽  
Relationship Of ◽  
The Relationship

SynopsisA phosphate-rich carbonate nodule from carboniferous mudstones has been studied by wet chemistry, X-ray diffraction, and electron microprobe. Partial heavy-liquid separation has enabled characterization of the phosphate phase as francolite (carbonate fluorapatite) with a composition Ca10(PO4)5·59(CO3)1·00((OH)1·49F2·10). Diffractometer data for this mineral is presented and cell dimensions are calculated as a = 9·349 Å, c = 6·887 Å. with c/a = 0·737. The problem of the structural positioning of carbon in francolite is discussed.The francolite is seen in thin section as a structureless groundmass enclosing siderite spheru-lites. Electron microprobe X-ray distribution photographs for P, Al, Si, Mg, and Fe show the relationship of these two phases to quartz, pyrite, and at least two clay minerals. One of the latter is intimately mixed with francolite.Possible origins of phosphatic nodules are discussed. Textural evidence in the present case strongly suggests that the francolite is concretionary and formed during early diagenesis possibly by replacement of earlier calcite. Phosphate was probably derived from protein degradation, which also maintained the alkaline pH necessary for francolite formation.

scholarly journals Effect of the thermal annealing on the phase transitions of biogenic CaCO3 nanostructures

2019 ◽  
Vol 63 (1) ◽  
Author(s):  
Candelario Ramón de los Santos ◽  
Angélica Silvestre López Rodríguez ◽  
Pio Sifuentes Gallardo ◽  
Miguel Angel Hernández Rivera ◽  
German Pérez-Hernández ◽  
...  
Keyword(s):  
Calcium Hydroxide ◽  
Thermal Annealing ◽  
Annealing Treatment ◽  
Orthorhombic Phase ◽  
Natural State ◽  
X Ray Diffraction ◽  
X Ray ◽  
Air Atmosphere ◽  
Thermal Annealing Treatment ◽  
Two Phases

The issue of the present research lays its foundation on the proposal of the Crassostrea virginica waste oyster shells (WOS) reuse to obtain calcium carbonate powder (CaCO3) and calcium hydroxide (Ca(OH)2) nanostructured, using thermal annealing treatments. The oysters shells were subjected to a previous physical grinding process to decrease their size (smaller sizes 0.074 mm). The parameter studied was the effect of annealing temperature (500, 700 and 900 °C in air atmosphere) on the structural properties and morphology of the powders by FTIR, XRD, SEM and HRTEM. The X-ray diffraction results indicate that the WOS in their natural state and thermally annealed at 500 °C  have two phases of CaCO3 the rhombohedral form for calcite with crystallite size around 24 nm and aragonite traces in orthorhombic phase. At 700 °C, the WOS powder is transformed into calcium hydroxide, also known as portlandite (Ca(OH)2), attributed to the absorption of water released during the thermal decomposition of CaCO3. This crystalline phase does not change when the temperature increases to 900 °C. The SEM and HRTEM analysis of WOS powders reveals that with a thermal annealing treatment it is possible to obtain   nanostructured CaCO3. FTIR analysis demonstrates the biogenic origin of CaCO3, due to amide groups. The nanostructured CaCO3 obtained by grinding and thermal annealing of WOS, can be used as drying agent, or as additive in ceramic and glass. The issue of the present research lays its foundation on the proposal of the Crassostrea virginica waste oyster shells (WOS) reuse to obtain calcium carbonate powder (CaCO3) and calcium hydroxide (Ca(OH)2) nanostructured, using thermal annealing treatments. The oysters shells were subjected to a previous physical grinding process to decrease their size (smaller sizes 0.074 mm). The parameter studied was the effect of annealing temperature (500, 700 and 900 °C in air atmosphere) on the structural properties and morphology of the powders by FTIR, XRD, SEM and HRTEM. The X-ray diffraction results indicate that the WOS in their natural state and thermally annealed at 500 °C  have two phases of CaCO3 the rhombohedral form for calcite with crystallite size around 24 nm and aragonite traces in orthorhombic phase. At 700 °C, the WOS powder is transformed into calcium hydroxide, also known as portlandite (Ca(OH)2), attributed to the absorption of water released during the thermal decomposition of CaCO3. This crystalline phase does not change when the temperature increases to 900 °C. The SEM and HRTEM analysis of WOS powders reveals that with a thermal annealing treatment it is possible to obtain   nanostructured CaCO3. FTIR analysis demonstrates the biogenic origin of CaCO3, due to amide groups. The nanostructured CaCO3 obtained by grinding and thermal annealing of WOS, can be used as drying agent, or as additive in ceramic and glass.

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