| 1. |
- Liu, H.K., et al.
(författare)
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Cu valence states in superconducting BiPbSrCaCuO system
- 1990
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Ingår i: Journal of Solid State Chemistry. - 0022-4596 .- 1095-726X. ; 87:2, s. 289-297
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Tidskriftsartikel (refereegranskat)abstract
- The oxidation states of Bi, Pb, and Cu in the BiPbSrCaCuO (BPSCCO) system have been determined by a combination of volumetric measurement technique and iodometric titration. It was found that, in contrast to previous reports, the concentration of the Cu3+ ions decreased with increasing Pb content, and Cu3+ ions were absent in samples of Bi1.6Pb0.4Sr1.6Ca2Cu3O9.8, while a Tc at 108 K and a Jc of greater than 12,000 A/cm2 at 77 K were observed. The 110 K phase in BPSCCO was stabilized and showed a high tolerance to change in oxygen partial pressure during sintering. In Pb-doped materials, Bi appears to be trivalent while Pb was determined to be mixed-valence Pb4+ Pb2+. It is suggested that superconductivity in BPSCCO may result from a dynamic transfer of holes from Bi PbO layers toward CuO2 planes
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| 2. |
- Ali, Sk Imran, et al.
(författare)
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Zn3Sb4O6F6 : Hydrothermal synthesis, crystal structure and nonlinear optical properties
- 2017
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 256, s. 158-161
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Tidskriftsartikel (refereegranskat)abstract
- Zn3Sb4O6F6 has been synthesized hydrothermally at 230 degrees C. The crystal structure was determined from single crystal X-ray diffraction data. It crystallizes in the cubic non-centrosymmetric space group I-43m with the unit cell parameter a = 8.1291(4) angstrom and is isostructural with M3Sb4O6F6 (M = Co, Ni). The new compound is the first oxofluoride containing Zn2+ and a p-element cation with a stereochemically active lone pair. The crystal structure is made up by [ZnO2F4] octahedra forming a network via corner sharing at F-atoms and [SbO3] trigonal pyramids that form [Sb4O6] cages that connect via the O-atoms to the Zn-atoms. Powder second harmonic generation (SHG) measurements using 1064 nm radiation on Zn3Sb4O6F6 indicate an SHG intensity of approximately 40 x alpha-SiO2.
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| 3. |
- Alkebro, Jesper, et al.
(författare)
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Modeling high-energy ball milling in the alumina-yttria system
- 2002
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 164:1, s. 88-97
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Tidskriftsartikel (refereegranskat)abstract
- Experimental results from high-energy ball milling of alumina-yttria powder mixtures have been analyzed with models collected from the literature. Depending on the milling conditions, either there is formation of an intermediate phase in the alumina-yttria system (yttrium aluminum perovskite, YAP), or the sample becomes mostly amorphous. Variations due to milling tool material can be accounted for by local models based on the Hertzian theory of elastic bodies, but the effects of changing mills are poorly accounted for by published models. Therefore, the concept of an impact frequency distribution over the energy spectrum is introduced as a tool for studying the characteristics of the mills. The pressure on the powder trapped between two colliding bodies has been found to be the factor deciding the outcome of the process. The threshold behavior of the system yields an amorphous structure for low pressures, and formation of YAP when impact pressures exceed the threshold value.
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| 4. |
- Andronic, L., et al.
(författare)
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Photocatalytic self-cleaning properties of thin films of photochromic yttrium oxyhydride
- 2022
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Ingår i: Journal of Solid State Chemistry. - : Elsevier. - 0022-4596 .- 1095-726X. ; 316
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Tidskriftsartikel (refereegranskat)abstract
- Oxyhydride of yttrium (YHO) belongs to an emerging class of materials, with oxide and hydride anions sharingthe same sites in the lattice. Under sunlight irradiation, the material is transparent to visible light with trans-parency exceeding 85% and can absorb about 10% of sunlight. Furthermore, increasing light transmittance in thevisible light enhanced the self-cleaning properties of the coated materials, making these materials promisingcandidates for smart windows applications. However, the light-absorbing properties of the materials wereincreased with exposure time, and in the photodarkening state, they can absorb about 40% of sunlight. Kelvinprobe measurements show work function values between 2.9 and 4.2 eV for YHO, depending on the H2/Arpressure in the deposition chamber. Using the Kelvin probe, we demonstrate that the work function decreaseswith decreasing deposition pressure and hydrogen flow. Measurements under solar light reveal a decrease of workfunction by 0.2 eV followed by a slow relaxation with the light off. Moreover, the self-cleaning test shows that theoxyhydroxide thin films have excellent photocatalytic activity and total self-cleaning in 40 h.
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| 5. |
- Azad, Abul Kalam, 1966, et al.
(författare)
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Electron doping effect on structural and magnetic phase transitions in Sr2-xNdxFeMoO6 double perovskites
- 2006
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 179:5, s. 1303-1311
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Tidskriftsartikel (refereegranskat)abstract
- Polycrystalline Sr2−xNdxFeMoO6 (x=0.0, 0.1, 0.2, 0.4) materials have been synthesized by a citrate co-precipitation method and studied by neutron powder diffraction (NPD) and magnetization measurements. Rietveld analysis of the temperature-dependent NPD data shows that the compounds (x=0.0, 0.1, 0.2) crystallize in the tetragonal symmetry in the range 10–400 K and converts to cubic symmetry above 450 K. The unit cell volume increases with increasing Nd3+ concentration, which is an electronic effect in order to change the valence state of the B-site cations. Antisite defects at the Fe–Mo sublattice increases with the Nd3+ doping. The Curie temperature was increased from 430 K for x=0 to 443 K for x=0.4. The magnetic moment of the Fe-site decreases while the Mo-site moment increases with electron doping. The antiferromagnetic arrangement causes the system to show a net ferrimagnetic moment.
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| 6. |
- B. Brant Carvalho, Paulo H., et al.
(författare)
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Elucidating the guest disorder in structure II argon hydrate : A neutron diffraction isotopic substitution study
- 2020
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Ingår i: Journal of Solid State Chemistry. - : Elsevier. - 0022-4596 .- 1095-726X. ; 285
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Tidskriftsartikel (refereegranskat)abstract
- Clathrate hydrates with the cubic structure II (CS-II) form typically with large guest molecules, such as tetrahydrofuran, trimethylamine oxide, or propane. However, CS-II is also realized for argon hydrate despite the comparatively small van der Waals diameter of the guest (around 3.8 angstrom). Here, the structure of deuterated argon hydrate was studied at ambient pressure in the temperature range 20-95 K using neutron diffraction and comparing natural Ar with Ar-36, which scatters neutrons more than 13 times more efficiently. The procedure allowed to unambiguously establish the positional disorder within the large cages of CS-H, while simultaneously refining host and guest structures. These cages are singly occupied and off-centered argon atoms distribute on two tetrahedron-shaped split positions with a ratio 3:1. Molecular dynamics (MD) simulations revealed that the crystallographic positional disorder structure is due to mobile argon atoms even at 20 K. The MD potential energy distribution confirmed the diffraction model. It is noted that the unit cell volumes of argon hydrate in the investigated temperature range are virtually identical to N-2 hydrate, which has a similar composition at ambient pressure, indicating a very similar (slightly attractive) host-guest interaction.
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| 7. |
- Babizhetskyy, Volodymyr, et al.
(författare)
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Crystal and electronic structures of the new ternary gallide Zr12Pd40−xGa31+y (x = 0–1.5, y = 0–0.5)
- 2023
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Ingår i: Journal of Solid State Chemistry. - 0022-4596 .- 1095-726X. ; 327
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Tidskriftsartikel (refereegranskat)abstract
- Zr12Pd40Ga31 was prepared from the elements by arc melting under argon and subsequent annealing at 870 K for 720 h. Single-crystal X-ray diffraction reveals that Zr12Pd40Ga31 crystallizes in a new hexagonal structure type: Pearson symbol (PS) hP166, space group P6/mmm, a = 18.7670(6) Ǻ, c = 8.6634(6) Ǻ). The crystal structure consists of three types of atomic layers – two flat sheets at z = 0 (layer A) and z = 0.5 (C) and one corrugated at z = 0.25 and z = 0.75 (B), which stack in the sequence … ABCB … along the [001] direction. The structure shows close vicinity to a series of hexagonal structures with PS hP164–hP171. These compounds show peculiar structural variability expressed in the different atomic occupations of the Wyckoff positions along and around the 3-fold and 6-fold axes. Homogeneity range and lattice parameters of new ternary compound Zr12Pd40−xGa31+y (x = 0–1.5, y = 0–0.5) have been refined from EDX and powder XRD data. Electronic structure calculations and bonding analysis have been performed for an idealized model revealing domination of the Pd–Ga and Ga–Ga interactions.
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| 8. |
- Ballikaya, S., et al.
(författare)
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Thermoelectric and thermal stability improvements in Nano-Cu 2 Se included Ag 2 Se
- 2019
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Ingår i: Journal of Solid State Chemistry. - : Academic Press. - 0022-4596 .- 1095-726X. ; 273, s. 122-127
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Tidskriftsartikel (refereegranskat)abstract
- Recently, silver chalcogenides have attracted great attention due to their potential application for room temperature power generation and local cooling. In this work, we report the thermoelectric properties and thermal stability of bulk Ag 2 Se with nano-Cu 2 Se inclusions ((Ag 2 Se) 1-x (Cu 2 Se) x where x = 0, 0.02 and 0.05). Ag 2 Se samples were prepared via melting, annealing and the nanocomposite was prepared by ball milling this material with required amount of nano-Cu 2 Se; finally, the samples were consolidated by spark plasma sintering. High temperature and low temperature transport properties were assessed by the measurements of the Seebeck coefficient, electrical conductivity, thermal conductivity, and Hall coefficient. The phase composition and microstructure were explored by powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) analysis, while the thermal stability of samples was investigated via heating microscopy and heat capacity measurement. Room temperature PXRD and SEM indicated that two separate phases of Ag 2 Se and Cu 2 Se form in nano-Cu 2 Se included composites. Heating microscopy and the heat capacity measurement indicate that the thermal stability of Ag 2 Se is enhanced with increasing nano-Cu 2 Se inclusions. The sign of the Seebeck coefficient, in agreement with the Hall coefficient, shows that electrons are the dominant carriers in all samples. The electrical conductivity of the samples increases and the Seebeck coefficient decreases with increasing amount of the nano-Cu 2 Se inclusion, likely due to augmented carrier concentration. Despite the larger electrical conductivity, the thermal conductivity is suppressed with nano-Cu 2 Se inclusions. A high power factor and reduced thermal conductivity lead to a maximum ZT value of 0.45 at 875 K for (Ag 2 Se) 1-x (nano-Cu 2 Se) x sample where x is 0.05.
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| 9. |
- Baranov, A. I., et al.
(författare)
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2D metal slabs in new nickel-tin chalcogenides Ni(7-delta)SnQ(2) (Q=Se, Te) : average crystal and electronic structures, chemical bonding and physical properties
- 2004
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 177:10, s. 3616-3625
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Tidskriftsartikel (refereegranskat)abstract
- A systematic search for mixed low-valence, nickel-tin chalcogenides performed by establishing phase relations in the parts of Ni-Sn-Se and Ni-Sn-Te ternary systems resulted in the discovery of two new compounds, Ni5.62SnSe2 and Ni5.78SnTe2 Single crystals of both compounds were prepared by chemical transport with iodine and crystal structures were determined by single crystal X-ray investigation. The ED patterns for Ni5.78SnTe2 showed the presence of satellite reflections, which indicate a modulated structure with qapproximate to0.4a*. Average crystal structures of both compounds were determined to be of tetragonal symmetry (Sp.gr.I4/mmm, Z = 2) with a = 3.6890(8) Angstrom, c = 18.648(3) Angstrom, R-w = 0.0716 and a = 3.7680(5) Angstrom, c = 19.419(4) Angstrom, R-w, 0.0832, correspondingly, and are isostructural to known Ni5.72SbSe2 and Ni5.66SbTe2. Measurements were carried out for both compounds with respect to thermal, electrical and magnetic properties. Ab initio band structure calculations were also performed to take a first glance into the electronic structure of such type compounds. The anisotropy of their band structure was found. Physical property measurements showed both compounds to be the anisotropic metallic conductors and paramagnetics. Calculated difference charge density maps revealed pairwise covalent and multicenter metallic nature of the d-metal-chalcogen and d-metal-p-metal interactions, respectively.
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| 10. |
- Becker, Richard, et al.
(författare)
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Crystal structure and magnetic properties of two new cobalt selenite halides : Co5(SeO3)4X2 (X=Cl, Br)
- 2007
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 180:3, s. 1051-1059
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Tidskriftsartikel (refereegranskat)abstract
- Two new isostructural cobalt selenite halides Co5(SeO3)4Cl2 and Co5(SeO3)4Br2 have been synthesized. They crystallize in the triclinic system space group P−1 with the following lattice parameters for Co5(SeO3)4Cl2: a=6.4935(8) Å, b=7.7288(8) Å, c=7.7443(10) Å, α=66.051(11)°, β=73.610(11)°, γ=81.268(9)°, and Z=1. The crystal structures were solved from single-crystal X-ray data, R1=3.73 and 4.03 for Co5(SeO3)4Cl2 and Co5(SeO3)4Br2, respectively. The new compounds are isostructural to Ni5(SeO3)4Br2. Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range. The anisotropic susceptibility is quantitatively interpreted within the zero-field splitting schemes for Co2+ and Ni2+ ions. Sharp low-temperature susceptibility features, at TN=18 and 20 K for Co5(SeO3)4Cl2 and Co5(SeO3)4Br2, respectively, are ascribed to antiferromagnetic ordering in a minority magnetic subsystem. In isostructural Ni5(SeO3)4Br2 magnetically ordered subsystem represents a majority fraction (TN=46 K). Nevertheless, anisotropic susceptibility of Ni5(SeO3)4Br2 is dominated at low temperatures by a minority fraction, subject to single-ion anisotropy effects and increasing population of Sz=0 (singlet) ground state of octahedrally coordinated Ni2+.
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