Comparative Characterization of Relaxed Organic–Inorganic Hybrid Perovskite Structures Using Molecular Dynamic Simulation and X-ray Diffraction Data

2018 ◽  
Vol 52 (5) ◽  
pp. 433-439 ◽  
Author(s):  
T. Yu. Zelenyak ◽  
Kh. R. Rakhmonov ◽  
Kh. T. Kholmurodov ◽  
P. P. Gladyshev ◽  
A. R. Tameev
Keyword(s):  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Comparative Characterization ◽  
Hybrid Perovskite

scholarly journals Synthesis and Crystallographic Characterization of X-Substituted 2,4-Dinitrophenyl-4′-phenylbenzenesulfonates

Chemistry ◽  
2020 ◽  
Vol 2 (2) ◽  
pp. 591-599
Author(s):  
Brock A. Stenfors ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Diffraction Data ◽  
Pyridinium Salt ◽  
Environmentally Benign ◽  
Pyridinium Salts ◽  
X Ray Diffraction ◽  
X Ray ◽  
Wide Range ◽  
Aqueous Environments ◽  
Aqueous Base

Treatment of 2,4-dinitrophenol with sulfonyl chlorides in the presence of pyridine results in the formation of undesired pyridinium salts. In non-aqueous environments, the formation of the insoluble pyridinium salt greatly affects the formation of the desired product. A facile method of producing the desired sulfonate involves the use of an aqueous base with a water-miscible solvent. Herein, we present the optimization of methods for the formation of sulfonates and its application in the production of desired x-substituted 2,4-dinitrophenyl-4′-phenylbenzenesulfonates. This strategy is environmentally benign and supports a wide range of starting materials. Additionally, the intermolecular interactions of these sulfonate compounds were investigated using single-crystal x-ray diffraction data.

Preparation and Electrical Characterization of Poly(Aniline) NanoClay Composites

2015 ◽  
Vol 34 (4) ◽  
Author(s):  
Esma Ahlatcioǧlu ◽  
Bahire Filiz şenkal ◽  
Mustafa Okutan
Keyword(s):  
Electrical Characterization ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Ft Ir ◽  
Doped Polyaniline ◽  
Poly Aniline ◽  
Scanning Electron

AbstractIn this work, synthesis and characterization of composite materials based on NanoClay(NC) and boric acid doped PolyAniline (PANI) is studied. PANI was successfully incorporated into NC to form PANI-NC composites. The resulting organic-inorganic hybrid material, PANI-NC was characterized by various physicochemical techniques. Formation of PANI inside the clay tactoid has been confirmed by X-ray diffraction studies (XRD), scanning electron microscope (SEM) and FT-IR. Also, conductivity and physical properties of the PANI-NC composites were investigated.

Synthesis and Characterization of ALaFeNi0.5W0.5O6 (A= Sr or Ca), a New Structure Distorted Double Perovskite

2013 ◽  
Vol 717 ◽  
pp. 133-138
Author(s):  
A. Awad Allah ◽  
M. Elhadi ◽  
O.A. Yassien
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Double Perovskite ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Perovskite Materials ◽  
Ftir Spectrometer

The crystal structure of both samples has been solved by powder X-ray diffraction, data in the tetragonal space group I4/m (a= b= 5.55182 Å, c =7.86955 A0) for SrLaFeNi0.5W0.5O6sample and (a=b= 5.49129Å, c= 7.82233Å) for CaLaFeNi0.5W0.5O6 sample, and shows an almost perfect ordering between Ni2+ and W5+ cations at the B-site of the perovskite structure. The FTIR spectrometer used of the powders showed that the spectra of both are very similar, showing two strong and well-defined absorption bands, typical of perovskite materials.

scholarly journals Characterization of FeOOH Nanoparticles and Amorphous Silica Matrix in an FeOOH-SiO2Nanocomposite

2008 ◽  
Vol 2008 ◽  
pp. 1-6 ◽  
Author(s):  
Guido Ennas ◽  
Maria F. Casula ◽  
Sergio Marras ◽  
Gabriele Navarra ◽  
Alessandra Scano ◽  
...  
Keyword(s):  
Hydrochloric Acid ◽  
Amorphous Silica ◽  
Diffraction Data ◽  
Silica Matrix ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Matrix ◽  
Curve Method ◽  
Hydrolysis Of

A nanocomposite with an FeOOH/SiO2ratio equal to 17.7 wt% and the pertinent matrix, obtained by etching away the nanoparticles through reaction with hydrochloric acid, were investigated by XRD, TGA-DTA, heliostereopicnometry, BET, and TEM techniques. The study shows the presence in the nanocomposite of ferrihydrite nanoparticles phase with average dimensions around 4 nm. The FeOOH nanoparticles structure was analyzed by synchrotron X-ray diffraction data using the distribution difference curve method. The porous structure of the matrix resulting by etching away the nanoparticles differs significantly from that of a pureSiO2sample obtained by hydrolysis of TEOS under the same operative conditions followed in the nanocomposite preparation.

The characterization of serpentine minerals by X-ray diffraction

1956 ◽  
Vol 31 (233) ◽  
pp. 107-126 ◽  
Author(s):  
E. J. W. Whittaker ◽  
J. Zussman
Keyword(s):  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Serpentine Minerals ◽  
Serpentine Mineral

SummaryX-ray diffraction data on serpentine minerals are discussed. There arc three structural varieties of chrysotile: ortho-chrysotile, clino-chrysotile, and para-chrysotile. Methods are described for the estimation of the proportions of the first two of these in mixed specimens, and their distribution in nature is reviewed. The variations observed in powder photographs of serpentine minerals are interpreted in accordance with this classification. The criteria proposed by Selfridge for distinguishing between chrysotile and antigorite are shown to be unreliable, but valid criteria are presented. The powder photographs also reveal the existence of a third serpentine mineral, distinct from chrysotile and antigorite, for which the name lizardite is proposed. Four samples of bastite are shown to consist of chrysotile or lizardite rather than antigorite. All the serpentine minerals examined consist either of antigorite or of one or more of the group comprising lizardite and the chrysotile varieties.

Synthesis and structural characterization of Li3Y(BO3)2

2017 ◽  
Vol 72 (2) ◽  
pp. 153-158 ◽  
Author(s):  
Sebastian Bräuchle ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Solid State ◽  
Boric Acid ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Lithium Carbonate ◽  
X Ray Diffraction ◽  
X Ray

AbstractLi3Y(BO3)2 was prepared by high-temperature solid state synthesis at 900°C in a platinum crucible from lithium carbonate, boric acid, and yttrium(III) oxide. The compound crystallizes monoclinically in the space group P21/c (no. 14) (Z=4) isotypically to Li3Gd(BO3)2. The structure was refined from single-crystal X-ray diffraction data: a=8.616(3), b=6.416(3), c=10.014(2) Å, β=116.6(2)°, V=494.9(3) Å3, R1=0.0211, and wR2=0.0378 for all data. The crystal structure of Li3Y(BO3)2 consists of [Y2O14] dinuclear units, which are interconnected to each other by planar B(1)O3 groups and LiO4 tetrahedra via common edges and corners along the a axis.

scholarly journals Nanocrystalline mimetic opals: synthesis and comparative characterization vs. natural stones

2015 ◽  
Vol 4 (2) ◽  
pp. 238 ◽  
Author(s):  
M. Hernández-Ortiz ◽  
G. Hernández-Padrón ◽  
R. Bernal ◽  
C. Cruz-Vázquez ◽  
Victor Castano
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Synthetic Opal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Comparative Characterization ◽  
Micro Particles ◽  
Natural Stones ◽  
Scanning Electron

<p>The objective of this project was to synthesis and to comparative characterization of nanocrystalline opals. Synthesis technique called Stöber allows obtaining nano and micro particles monodisperse. Natural opal of origin Mexican was utilized as reference. The results obtained indicated crystalline phases in the opal, and the presence of water is shown through x-ray diffraction and the FTIR and Raman spectra, respectively. Scanning electron microscopy illustrated spherical nanoparticle of silicon. We conclude that the synthetic opal presents a mimetic character.</p>

Synthesis and Structural Characterization of a New Two-dimensional Organic-Inorganic Hybrid Molybdoarsenate: [Cu(en)2]2[(CuO6)Mo6O18(As3O3)2]

2010 ◽  
Vol 65 (2) ◽  
pp. 163-167 ◽  
Author(s):  
Qiang Wu ◽  
Qiuxia Han ◽  
Lijun Chen ◽  
Pengtao Ma ◽  
Jingyang Niu
Keyword(s):  
Thermogravimetric Analysis ◽  
Building Blocks ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
2D Network

A new organic-inorganic hybrid molybdoarsenate constructed from a unit with two (As3O3) rings capping Anderson-type moieties, [Cu(en)2]2[(CuO6)Mo6O18(As3O3)2] (1) (en = ethylenediamine), has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction and thermogravimetric analysis. The compound crystallizes monoclinically, space group P21/c, with unit cell dimensions a = 9.1541(7), b = 19.6348(14), c = 14.5205(8) Å ,β = 129.082(3)◦,V = 364.20(4) Å3, Z = 2, T = 296(2) K. Complex 1 represents the first example of a 2D network of a POM polymer where [(CuO6)Mo6O18(As3O3)2]4− building blocks are connected by complex fragments {Cu(en)2}2+.

Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides

1997 ◽  
Vol 53 (3) ◽  
pp. 504-512 ◽  
Author(s):  
A. Martin ◽  
A. A. Pinkerton ◽  
R. D. Gilardi ◽  
J. C. Bottaro
Keyword(s):  
Hydrogen Bonding ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Energetic Materials ◽  
Room Temperature ◽  
Asymmetric Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths

Three biguanidinium salts of the energetic dinitramide anion have been prepared and structurally characterized from room-temperature X-ray diffraction data. Biguanidinium mono-dinitramide, (BIGH)(DN), triclinic, P\overline 1, a = 4.3686 (4), b = 9.404 (2), c = 10.742 (1) Å, \alpha = 83.54 (1), \beta = 80.386 (9), \gamma = 79.93 (1)°, V = 426.8 (1) Å3, Z = 2, D x = 1.62 g cm−3. Biguanidinium bis-dinitramide, (BIGH2)(DN)2, monoclinic, C2/c, a = 11.892 (2), b = 8.131 (1), c = 13.038 (2) Å, \beta = 115.79 (1)°, V = 1135.1 (3) Å3, Z = 4, D x = 1.84 g cm−3. Biguanidinium bis-dinitramide monohydrate, (BIGH2)(DN)2.H2O, orthorhombic, P212121, a = 6.4201 (6), b = 13.408 (1), c = 14.584 (2) Å, V = 1255.4 (4) Å3, Z = 4, D x = 1.76 g cm−3. All three structures are characterized by extensive hydrogen bonding. Both the mono- and diprotontated cations consist of two planar halves twisted with respect to each other. The dinitramide anion has a surprisingly variable and asymmetric structure. The two halves of the anion are twisted with respect to each other; however, the twist varies from 5.1 to 28.9°. In addition, the two ends of the anion have significantly different geometries, e.g. the `equivalent' N—N bond lengths differ by up to 0.045 Å.

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