| 1. |
- Ahmed, Istaq, 1972, et al.
(author)
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Structural study and proton conductivity in Yb-doped BaZrO3
- 2007
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In: Solid State Ionics. - 0167-2738. ; 178:(7-10), s. 515-520
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Journal article (peer-reviewed)abstract
- Traditional solid state sintering has been used to prepare the perovskite BaZr0.9Yb0.1O3-delta. Analysis of X-ray powder diffraction data shows that an increase of the unit cell parameter, a, was observed compared to undoped BaZrO3. Rietveld analysis of room temperature neutron powder diffraction data confirmed cubic symmetry (space group Pm-3m). Dynamic thermogravimetric analysis (TGA) indicates that the hydration process occurs below 200 degrees C. The strong O-H stretch band, 2500-3500 cm(-1), in the infrared absorbance spectrum clearly manifests the presence of protons in the hydrated material. Proton conductivity was investigated on hydrated and as-prepared samples under dry and wet atmospheres, respectively. Keywords: X-ray diffraction; neutron diffraction; Rietveld refinement; proton conductor; perovskite
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| 2. |
- Ahmed, Istaq, 1972, et al.
(author)
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Synthesis and structural characterization of perovskite type proton conducting BaZr1-xInxO3-delta (0.0 <= x <= 0.75)
- 2006
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In: Solid State Ionics. - : Elsevier BV. - 0167-2738 .- 1872-7689. ; 177:17-18, s. 1395-1403
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Journal article (peer-reviewed)abstract
- Solid state sintering has been used to prepare the cubic perovskite structured compounds BaZr1-xInxO3-delta (0.0 <= x <= 0.75). Analysis of X-ray powder diffraction (XRPD) data reveals that the unit cell parameter, a, increases linearly with an increased Indium concentration. XRPD data was also used to demonstrate the completion of sample hydration, which was reached when the materials showed a set of single-phase Bragg-peaks. Dynamic thermogravimetric analysis (TGA) data showed that approx. 89% of the total number of available oxygen vacancies can be filled in BaZr1-xInxO3-delta for x=0.50, and that the maximum water uptake occurs below 300 degrees C. Rietveld analysis of the room temperature neutron powder diffraction (NPD) data confirmed the average cubic symmetry (space group Pm-3m), and an expansion of the unit cell parameter after the hydration reaction. The strong O-H stretch band, 2500-3500 cm(-1), in the infrared absorbance spectrum clearly manifests the presence of protons in the hydrated material. Proton conductivity of hydrated BaZr1-xInxO3-delta, x=0.75 was investigated during heating and cooling cycles under dry argon atmosphere. The total conductivity during the heating cycle was nearly two orders of magnitude greater than that of cooling cycle at 300 degrees C, whilst these values were similar at higher temperatures i.e. T > 600 degrees C.
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| 3. |
- Papadopoulos, Konstantinos, 1989, et al.
(author)
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Photophysical Ion Dynamics in Hybrid Perovskite MAPbX 3 (X=Br, Cl) Single Crystals
- 2024
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In: ADVANCED PHYSICS RESEARCH. - 2751-1200. ; 3:3
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Journal article (peer-reviewed)abstract
- Hybrid organic-inorganic perovskites (HOIPs) are promising candidates for next-generation photovoltaic materials. However, there is a debate regarding the impact of interactions between the organic center and the surrounding inorganic cage on the solar cell's high diffusion lengths. It remains unclear whether the diffusion mechanism is consistent across various halide perovskite families and how light illumination affects carrier lifetimes. The focus is on ion kinetics of (CH3NH3)PbX3 (X = Br, Cl) perovskite halide single crystals. Muon spectroscopy (mu+SR)is employed to investigate the fluctuations and diffusion of ions via the relaxation of muon spins in local nuclear field environments. Within a temperature range of 30-340 K, ion kinetics are studied with and without white-light illumination. The results show a temperature shift of the tetragonal-orthorhombic phase transition on the illuminated samples, as an effect of increased organic molecule fluctuations. This relation is supported by density functional theory (DFT) calculations along the reduction of the nuclear field distribution width between the phase transitions. The analysis shows that, depending on the halide ion, the motional narrowing from H and N nuclear moments represents the molecular fluctuations. The results demonstrate the importance of the halide ion and the effect of illumination on the compound's structural stability and electronic properties.
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| 4. |
- Ahmed, Istaq, 1972, et al.
(author)
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Crystal structure and proton conductivity of BaZr0.9Sc0
- 2008
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In: Journal of the American Ceramic Society. - : Wiley. - 0002-7820 .- 1551-2916. ; 91:9, s. 3039-3044
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Journal article (peer-reviewed)abstract
- Solid-state sintering has been used to prepare the perovskite BaZr0.9Sc0.1O3-delta. Analysis of X-ray powder diffraction data shows that an increase of the unit cell parameter, a, was observed after deuteration. Rietveld analysis of room-temperature neutron powder diffraction data confirmed cubic symmetry (space group Pm-3m). Dynamic thermogravimetric analysis indicates that the hydration process occurs below 335 degrees C and approximately 58% of the theoretical number of protonic defects can be filled. The presence of protons/deutrons is seen from the strong O-H/O-D stretch band in the infrared spectrum of the hydrated/deuterated samples. The proton conductivity of a prehydrated sample was investigated under dry and wet Ar atmospheres
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| 5. |
- Ahmed, Istaq, 1972, et al.
(author)
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Location of deuteron sites in the proton conducting perovskite BaZr0.50In0.50O3-y
- 2008
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In: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388. ; 450:1-2, s. 103-110
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Journal article (peer-reviewed)abstract
- High-resolution neutron powder diffraction data have been collected on deuterated and dried samples of the perovskite BaZr0.5In0.5O2.75 at 5 K and room temperature, respectively. Inspection of Fourier nuclear density maps for the deuterated phase have allowed the deuteron position to be refined on a 12h (1/2, y, 0) crystallographic site, with y = 0.217(4) yielding a chemically reasonable O-D distance of 0.92(2) angstrom. Evidence for anisotropy of the deuteron position is also found consistent with a 24k crystallographic site (0.56, 0.21, 0) indicative of displacements of the ion towards neighbouring oxygen ions. The presence of static oxygen disorder in both the dried and deuterated samples is apparent from the structural analyses. Raman spectra confirm short range deviations from cubic symmetry for both dried and hydrated samples.
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| 6. |
- Ahmed, Istaq, 1972, et al.
(author)
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Proton conduction in Perovskite Oxide BaZr0.5Yb0.5O3-δ Prepared by Wet Chemical Route
- 2008
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In: Journal of the Electrochemical Society. - : The Electrochemical Society. - 1945-7111 .- 0013-4651. ; 155:11, s. 97-102
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Journal article (peer-reviewed)abstract
- A wet chemical route has been used to synthesize the oxygen deficient perovskite Ba Zr0.5 Yb0.5 O3-δ. Analysis of X-ray powder diffraction data showed that both dried and hydrated samples adopt cubic crystal structures of space group Pm 3- m. Dynamic thermogravimetric analysis showed a significant mass loss for the hydrated sample compared to the dried sample, indicating that ∼28% of the oxygen vacancies are filled by protonic defects. The strong O-H stretch band, 2500-3500 cm-1, in the IR absorbance spectrum also clearly manifests the presence of significant levels of protons in the hydrated material. Proton conductivity was investigated on prehydrated (under dry Ar) and as-prepared (under wet Ar) samples. The heating cycle of the prehydrated sample showed higher proton conductivity compared to the cooling cycle, especially in the intermediate temperature range (150-550°C). Finally, comparison with data for Ba Zr0.9 Yb0.1 O3-δ revealed that the more heavily doped sample showed higher proton conductivity compared to the more lightly doped sample. © 2008 The Electrochemical Society.
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