scholarly journals Structural and magnetic investigation of Ca2MnReO6 doped with Ce

Cerâmica ◽  
2013 ◽  
Vol 59 (350) ◽  
pp. 262-268 ◽  
Author(s):  
J. B. Depianti ◽  
M. T. D. Orlando ◽  
A. S. Cavichini ◽  
H. P. S. Corrêa ◽  
V. A. Rodrigues ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Applied Pressure ◽  
Double Perovskite ◽  
X Ray Diffraction ◽  
X Ray ◽  
Geometric Frustration ◽  
Magnetic Investigation ◽  
Group A ◽  
Monoclinic Cell ◽  
Octahedral Distortion

We have studied the properties of Ce doping in Ca-site of Ca2MnReO6 double perovskite up to 10%. These compounds have presented a monoclinic cell with P2(1)/n space group. A small increase of lattice parameters in doped sample were observed through Rietveld refinement of X-ray diffraction pattern. The spectra at the Mn K-edge and Re L3-edge showed a mixed valence for Mn and Re in both samples. We do not observed any variation on Mn K-edge valence in XANES measurements under pressure. However a change was observed for Re L3-edge as a function of applied pressure. The Ce-doped sample showed a magnetic geometric frustration and a small decrease of the temperature frustration as compared with Ca2MnReO6 sample. The decrease of temperature frustration can be related to the MnO6 and ReO6 octahedral distortion.

scholarly journals Structural, Magnetic, and Magnetocaloric Properties of R2NiMnO6 (R = Eu, Gd, Tb)

2021 ◽  
Author(s):  
K.P. Shinde ◽  
E.J. Lee ◽  
Maykel Manawan ◽  
A. Lee ◽  
S.Y. Park ◽  
...  
Keyword(s):  
Magnetic Entropy Change ◽  
Ceramic Powder ◽  
Double Perovskite ◽  
Entropy Change ◽  
Cooling Power ◽  
X Ray Diffraction ◽  
Atomic Size ◽  
X Ray ◽  
Magnetocaloric Properties ◽  
Group A

Abstract Double perovskite Eu2NiMnO6 (ENMO) Gd2NiMnO6 (GNMO) and Tb2NiMnO6 (TNMO) ceramic powder have been synthesized by solid-state reaction and their crystal structure, microstructure, cryogenic magnetic properties, and magnetocaloric performance have been investigated. Structural studies by using X-ray diffraction shows that all compounds crystallize in the monoclinic structure with a P21/n space group. A ferromagnetic to paramagnetic (FM-PM) second-order phase transition occurred in ENMO, GNMO, and TNMO around 143, 130, and 112 K, respectively. The values of maximum magnetic entropy change and relative cooling power at an applied field of 5 T are found to be 3.2, 3.8, 3.5 J/kgK and 150, 182, 176 J/kg respectively, for the studied sample. The change in structural, magnetic, and magnetocaloric effect ascribed to the superexchange mechanism of Ni2+ – O – Mn3+ and Ni2+ – O – Mn4+. Due to different atomic size of Eu, Gd, Tb changes the ratio of Mn4+/Mn3+ which is responsible for the variation of properties significantly in double perovskite.

scholarly journals A novel and potentially scalable CVD-based route towards SnO2:Mo thin films as transparent conducting oxides

2021 ◽  
Author(s):  
Tianlei Ma ◽  
Marek Nikiel ◽  
Andrew G. Thomas ◽  
Mohamed Missous ◽  
David J. Lewis
Keyword(s):  
Thin Films ◽  
Photoelectron Spectroscopy ◽  
Mixed Valence ◽  
Chemical Vapour ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conducting Oxides ◽  
Valence States ◽  
3 Omega ◽  
First Time

AbstractIn this report, we prepared transparent and conducting undoped and molybdenum-doped tin oxide (Mo–SnO2) thin films by aerosol-assisted chemical vapour deposition (AACVD). The relationship between the precursor concentration in the feed and in the resulting films was studied by energy-dispersive X-ray spectroscopy, suggesting that the efficiency of doping is quantitative and that this method could potentially impart exquisite control over dopant levels. All SnO2 films were in tetragonal structure as confirmed by powder X-ray diffraction measurements. X-ray photoelectron spectroscopy characterisation indicated for the first time that Mo ions were in mixed valence states of Mo(VI) and Mo(V) on the surface. Incorporation of Mo6+ resulted in the lowest resistivity of $$7.3 \times 10^{{ - 3}} \Omega \,{\text{cm}}$$ 7.3 × 10 - 3 Ω cm , compared to pure SnO2 films with resistivities of $$4.3\left( 0 \right) \times 10^{{ - 2}} \Omega \,{\text{cm}}$$ 4.3 0 × 10 - 2 Ω cm . Meanwhile, a high transmittance of 83% in the visible light range was also acquired. This work presents a comprehensive investigation into impact of Mo doping on SnO2 films synthesised by AACVD for the first time and establishes the potential for scalable deposition of SnO2:Mo thin films in TCO manufacturing. Graphical abstract

Solid-state Thermoelectric Characteristics of NiII, FeII, CoII, and CuII Borohydrides

2021 ◽  
Author(s):  
Isam M. Arafa ◽  
Mazin Y. Shatnawi ◽  
Yousef N. Obeidallah ◽  
Ahmed K. Hijazi ◽  
Yaser A . Yousef
Keyword(s):  
Energy Transport ◽  
Waste Heat ◽  
Mixed Valence ◽  
Small Scale ◽  
X Ray Diffraction ◽  
Promising Candidate ◽  
X Ray ◽  
Cold Pressed ◽  
Thermal Energy Transport ◽  
Body Heat

Abstract Four transition metal borohydrides (MTBHs, MT = Ni, Fe, Co, and Cu) were prepared by sonicating a mixture of the desired MT salt with excess NaBH4 in a nonaqueous DMF/CH3OH media. The process afforded bimetallic (Ni-BH4), trimetallic (Fe-BH4, Co-BH4), and mixed-valence (Cu-H, Cu-BH4) amorphous, ferromagnetic nanoparticles as identified by thermal, ATR-IR, X-Ray diffraction, and magnetic susceptibility techniques. The electrical conductivity (σ) of cold-pressed discs of these MTBHs shows a nonlinear increase while their thermal conductivity (κ) decreases in the temperature range of 303 ≤ T ≤ 373 K. The thermal energy transport occurs through phonon lattice dynamics rather than electronic. The σ/κ ratio shows a nonlinear steep increase from 9.4 to 270 KV-2 in Ni-BH4, while a moderate-weak increase is observed for Fe-BH4, Co-BH4, and Cu-BH4. Accordingly, the corresponding thermoelectric (TE) parameters S, PF, ZT, and η were evaluated. All TE data shows that the bimetallic Ni-BH4 (S, 80 μVK-1; PF, 259 μWm-1K-2; ZT 0.64; η, 2.56%) is a better TE semiconductor than the other three MT-BHs investigated in this study. Our findings show that Ni-BH4 is a promising candidate to exploit low-temperature waste heat from body heat, sunshine, and small domestic devices for small-scale TE applications.

scholarly journals Effect of pressure on a mixed valence FeiiFeiii2complex

2014 ◽  
Vol 70 (a1) ◽  
pp. C901-C901
Author(s):  
Solveig Madsen ◽  
Jacob Overgaard ◽  
Bo Iversen
Keyword(s):  
Phase Transition ◽  
Hydrogen Bond ◽  
Mixed Valence ◽  
Hydrogen Bond Network ◽  
X Ray Diffraction ◽  
X Ray ◽  
Effect Of Pressure ◽  
Bond Network ◽  
Fe Sites ◽  
Cyano Groups

Intramolecular electron transfer (ET) in mixed valence (MV) oxo-centered [FeiiFeiii2O(carboxylate)6(ligand)3]·solvent complexes is highly dependent on temperature, on the nature of the ligands, and on the presence of crystal solvent molecules [1]. Whereas the effects of temperature, crystal solvent, and ligand variation on the details of the ET have been explored thoroughly, the effect of pressure is less well described [2]. The effect of pressure on the ET in MV Fe3O(cyanoacetate)6(water)3has been investigated with single crystal X-ray diffraction and Mössbauer spectroscopy. Previous multi-temperature studies have shown that at room temperature the ET between the three Fe sites is fast and the observed structure of the Fe3core is a perfectly equilateral triangle [3]. Cooling the complex below 130 K induces a phase transition as the ET slows down. Below 120 K the Fe3core is distorted due to the localization of the itinerant electron on one of the three Fe sites in the triangle (the complex is then in the valence trapped state). The valence trapping is complete within a temperature interval of just 10 K. The abruptness of the transition has been attributed to the extended hydrogen bond network involving water ligands and cyano groups, promoting intermolecular cooperative effects. The high-pressure X-ray diffraction data show that there is a 900flip of half the cyano groups at 3.5 GPa, which dramatically changes the hydrogen bond network. At a slightly higher pressure, a phase transition is found to occur. The five single crystals investigated all broke into minor fragments at the transition; however triclinic unit cells, similar to the low temperature unit cell, could be indexed from selected spots. Additional evidence that the complex is valence trapped comes from high pressure Mössbauer spectra measured above the phase transition (4 GPa). The relationship between valence trapping and the structural changes will in this work be highlighted using void space and Hirshfeld surface analysis.

scholarly journals The New Complexes of Tris(2-Methoxy-5-Bromophenyl)Stibine with Silver Nitrate

2021 ◽  
Vol 13 (1) ◽  
pp. 21-30
Author(s):  
O.K. Sharutina ◽  
Keyword(s):  
Diffraction Analysis ◽  
Silver Nitrate ◽  
Silver Atom ◽  
Nitrate Solution ◽  
Silver Nitrate Solution ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Crystallographic Characteristics ◽  
Group A

By mixing solutions of tris(2-methoxy-5-bromophenyl)antimony and silver nitrate in a methanol : acetonitrile mixture (1:1 vol.), nitrato-O,O'-(acetonitrile)[tris(2-methoxy-5-bromophenyl)antimony]silver complex with the general formula [(C6H3ОMe-2-Br-5)3SbAg(μ2-NO3)(Ме3CN)]2•2[(C6H3ОMe-2-Br-5)3SbAgNO3(Ме3CN)] (1) has been obtained. An addition of silver nitrate solution in the methanol : acetonitrile mixture to the tris(2-methoxy-5-bromophenyl)antimony dioxane solution has led to the formation of a small amount of dark crystals of the ionic complex [(2-MeО-5-Br-C6H3)3SbAg(H2O)Sb(C6H3Br-5-OMe-2)3]+[(2-MeО-5-Br-C6H3)3SbAg(m-NO3)3 AgSb(C6H3Br-5-OMe-2)3]-×3C4H8O2 (2). Complexes 1 and 2 have been characterized by IR spectroscopy, and their structures have been determined by X-ray diffraction analysis. The IR spectra of complexes 1 and 2 contain the bands characterizing the Sb-O, Sb-C, С≡N-, and NO3-group band vibrations. X-ray diffraction analysis of the complexes has been carried out on an automatic four-circle D8 Quest Bruker diffractometer (МоКα radiation, λ = 0.71073 Å, graphite monochromator) at 293 K. Crystallographic characteristics of 1: triclinic, P-1 space group, a = 9.32(3), b = 17.50(7), c = 17.97(5) Å, a = 97.56(14), β = 92.90(19), g = 99.45(19) grad., V = 2859(16) Å3, Z = 2, rcalc = 2.069 g/cm3, 2: monoclinic, С2/с space group, a = 17.417(14), b = 21.041(15), c = 32.01(2) Å, a = 90, β = 97.79(3), g = 90 grad., V = 11624(15) Å3, Z = 4, rcalc = 2.006 g/cm3. In the monomeric and dimeric molecules of crystal 1, nitrate ligands are chelating and bridging, respectively. In the cation of complex 2, the silver atom is bonded to two antimony ligands, the third coordination site is occupied by a water molecule. In the dimeric anion there are one antimony ligand and three bridging nitrate groups surrounding each silver atom.

scholarly journals Controlled sample environment for studying solid–gas interactions by in situ powder X-ray diffraction

2021 ◽  
Vol 54 (1) ◽  
pp. 371-375
Author(s):  
Paul Monceyron Røren ◽  
Kristoffer W. B. Hunvik ◽  
Vegard Josvanger ◽  
Ole Tore Buseth ◽  
Jon Otto Fossum
Keyword(s):  
Applied Pressure ◽  
Copper Plate ◽  
Temperature Control System ◽  
X Ray Diffraction ◽  
X Ray ◽  
Custom Made ◽  
Quartz Capillary ◽  
Gas Interactions ◽  
And Control

A sample cell for powder X-ray diffraction studies with in situ applied pressure and control of temperature is demonstrated. The cell is based on a previously reported design and consists of a glass or quartz capillary glued into a Swagelok weld gland; this configuration can hold up to 100 bar (1 bar = 100 kPa). The cell is placed in contact with a copper plate for control of temperature between −30 and 200°C. This is achieved by Peltier elements, heat cartridges and a refrigerated circulating bath. This work mainly focuses on the temperature control system. Commissioning tests were performed in a custom-made small/wide-angle X-ray diffractometer at the Norwegian University of Science and Technology. The system is easily portable to synchrotron facilities.

Die neuen Oxobismutate(III) Cs6Bi4O9, K9Bi5O13 und A2Bi4O7 (A = Rb, Cs) / The New Oxobismutates(III) Cs6Bi4O9, K9Bi5O13 and A2Bi4O7 (A = Rb, Cs)

2002 ◽  
Vol 57 (10) ◽  
pp. 1090-1100
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Alkali Metals ◽  
Mixed Valence ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Mixed Valence Compound

AbstractThe title compounds were synthesized at a temperature of 700 °C via oxidation of elemental Bi with the hyperoxides AO2 or via reaction of the elemental alkali metals A with Bi2O3. Their crystal structures have been determined by single crystal x-ray diffraction. They are dominated by two possible surroundings of Bi by O, the ψ-trigonal-bipyramidal three (B) and the ψ-tetrahedral four (T) coordination. Cs6Bi4O9 (triclinic, spacegroup P1̄, a = 813.82(12), b = 991.60(14), c = 1213.83(18) pm, α = 103.658(2), β = 93.694(3), γ = 91.662(3)°, Z = 2) contains centrosymmetric chain segmentes [Bi8O18]12- with six three- (T) and two four-coordinated (B) Bi(III) centers. K9Bi5O13 (monoclinic, spacegroup P21/c, a = 1510.98(14), b = 567.59(5), c = 2685.6(2) pm, β = 111.190(2)°, Z = 4) is a mixed valence compound with isolated [BivO4]3- tetrahedra and chains [BiIII4O9]6- of two T and two B coordinated Bi. In the compounds A2Bi4O7 (A = Rb/Cs: monoclinic, C2/c, a = 2037.0(3) / 2130.6(12), b = 1285.5(2) / 1301.9(7), c = 1566.6(2) / 1605.6(9) pm, β = 94.783(3) / 95.725(9)°, Z = 8) ribbons [Bi4O6O2/2]2- are formed, which are condensed to form a three-dimensional framework.

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