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Article
How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in the interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods
Classical molecular simulation methods were used for a description of an arrangement of intercalated molecules N-(pyridin-4-yl)pyridin-4-amine (AH) and its derivatives, 3-methyl-N-(pyridin-4-yl)pyridin-4-amine (A...
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Article
Thermoanalytical study and crystallization of Ba(PO3)2–WO3 glasses
Barium phosphate glasses of the composition (100 − x)Ba(PO3)2–xWO3 with 0–60 mol% WO3 were prepared and studied. Thermal studies of the glasses were carried out with DTA, dilatometry and hot-stage microscopy. Gla...
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Article
Thermoelectric and Transport Properties of n-type Palladium-Doped Chalcopyrite Cu1−xPdxFeS2 Compounds
Semiconducting CuFeS2 with a diamond-like structure has been recently studied as a potential candidate for thermoelectric applications. In the present study, Pd substitution for Cu was examined in terms of thermo...
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Article
Thermal properties and crystallization of BaO–MoO3–P2O5 glasses
The thermal behavior and crystallization of barium molybdate-phosphate glasses were studied in two compositional series, namely A: (100 − x)Ba(PO3)2–xMoO3 (with x = 0–70 mol%) and B: 50BaO–yMoO3–(50 − y)P2O5 (wit...
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Article
Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods
Classical molecular simulation methods were used for a detailed structural description of zirconium 4-sulfophenylphosphonate and zirconium phenylphosphonate 4-sulfophenylphosphonates with general formula Zr(HO3SC
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Article
Thermal behavior and the properties of BaO–B2O3–P2O5 glasses
Borophosphate glasses of the BaO–B2O3–P2O5 ternary system were prepared and studied within the large glass-forming region of the system. Fourteen investigated glass samples of barium borophosphate glasses were di...
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Article
Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods
Strontium phenylphosphonate intercalates with 1,2-diols (from 1,2-ethanediol to 1,2-hexanediol) were synthesized and characterized by X-ray diffraction, thermogravimetry, chemical analysis, and molecular simul...
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Article
The effect of Se ↔ Te substitution on crystallisation micro-mechanisms evincing in GeTe4 glass
Isothermal and non-isothermal crystallisation behaviour of the GeTe3.9Se0.1 chalcogenide glass was studied dependent on particle size and compared to the similar DSC study performed for the pure GeTe4 material. T...
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Article
Thermal properties and structure of zinc–manganese metaphosphate glasses
The thermal properties and some physical characteristics of the metaphosphate glassy system xMnO–(50−x)ZnO–50P2O5 were studied. Homogeneous glasses were obtained in the whole concentration range between Zn(PO3)2 ...
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Article
Intercalation chemistry of layered vanadyl phosphate: a review
The intercalation chemistry of layered αI modification of vanadyl phosphate and vanadyl phosphate dihydrate is reviewed. The focus is on neutral molecular guests and on metal cations used as guest species. The ba...
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Article
Thermal properties and crystallization of PbO–MoO3–P2O5 glasses
Thermal properties and crystallization of glasses from PbO–MoO3–P2O5 ternary system were studied in three compositional series (100 − x)[0.5PbO–0.5P2O5]–xMoO3 (A), 50PbO–yMoO3–(50 − y)P2O5 (B), and (50 − z)PbO–zM...
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Article
Structure analysis of hydrotalcite intercalated with pyrenetetrasulfonate; experiments and molecular modelling
The structure of pyrenetetrasulfonate intercalated with hydrotalcite, having the formula [Zn0.68Al0.32(OH)2][(C16H6O12S4)0.08 · x H2O], was proposed based on molecular simulations combined with experimental data ...
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Article
Enthalpies of sorption of linear hydrocarbons (C2–C8) and chloroderivatives of methane and ethylene on the surface of hydrotalcite
Differential molar adsorption enthalpies (DMAE) were determined by gas chromatographic measurements of specific retention volume of vapors on the surface of two forms of Mg–Al hydrotalcite. A linear dependence...
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Article
Intercalation of 1,2-Alkanediols into α-Zirconium Hydrogenphosphate
Intercalation compounds of α-Zr(HPO4)2 · H2O with 1,2-alkanediols (from C3 to C16) have been prepared by replacing 1-propanol in α-Zr(HPO4)2 · 2C3H7OH with the desired 1,2-alkanediols by a treatment in a microwav...
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Article
Intercalation of Toluidines into α-Zirconium Hydrogenphosphate
Intercalates of o-, m-, and p-toluidine into α-Zr(HPO4)2 · H2O were prepared and characterized by powder X-ray diffraction, thermogravimetric analysis and infrared spectroscopy. As follows from IR, toludine molec...
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Article
Intercalation of Dimethyl Carbonate, Diethyl Carbonate and Ethylene Carbonate into Vanadyl Phosphate
Intercalation compounds of vanadyl phosphate with dimethyl carbonate (DMC), diethyl carbonate (DEC), and ethylene carbonate (EC) were prepared from VOPO4·2C2H5OH intercalate by a molecular exchange. The intercala...
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Article
Intercalation of 2-Naphthol-3,6-disulfonate, 9,10-Anthraquinone-2,6-disulfonate, and 9,10-Anthraquinone-2-sulfonate Anions into Zn–Al Layered Double Hydroxide
The intercalates of 9,10-anthraquinone-2,6-disulfonate, 9,10-anthraquinone-2-sulfonate, and 2-naphthol-3,6-disulfonate anions were prepared by heating [Zn0.67Al0.33(OH)2](CO3)0.165 · 0.5H2O with a solution of cor...
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Article
Intercalation of Dyes Containing SO3H Groups into Zn–Al Layered Double Hydroxide
The intercalates of Naphthol Yellow S, Tropaeolin 000, and Tropaeolin 00 were prepared by heating [Zn0.67Al0.33(OH)2](CO3)0.165 · 0.5H2O with acidic forms of the dye solutions in an open reaction vessel. The inte...
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Article
Intercalates of Vanadyl Phosphate with Aliphatic Nitriles
Intercalates of vanadyl phosphate with aliphatic nitriles (acetonitrile, propionitrile, butyronitrile, valeronitrile and hexanenitrile) were prepared and characterized by X-ray powder diffraction, thermogravim...
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Article
2-Alkanol Intercalated VOPO4 and NbOPO4: Structure Modeling of Intercalate Layers
Intercalates of VOPO4ċ2H2O and NbOPO4ċ3H2O with a homologous series of 2-alkanols (from 2-propanol to 2-undecanol) were prepared and characterized by X-ray powder diffraction, thermogravimetric analysis, and IR s...
