| 1. |
- Karlsson, Daniel, et al.
(författare)
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Experimental and theoretical study of the photodissociation of bromo-3-fluorobenzene
- 2008
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 128:3, s. 034307-
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Tidskriftsartikel (refereegranskat)abstract
- The UV photodissociation of bromo-3-fluorobenzene under collisionless conditions has been studied as a function of the excitation wavelength between 255 and 265 nm. The experiments were performed using ultrafast pump-probe laser spectroscopy. To aid in the interpretation of the results, it was necessary to extend the theoretical framework substantially compared to previous studies, to also include quantum dynamical simulations employing a two-dimensional nuclear Hamiltonian. The nonadiabatic potential energy surfaces (PES) were parameterized against high-level MS-CASTP2 quantum chemical calculations, using both the C–Br distance and the out-of-plane bending of the bromine as nuclear parameters. We show that the wavelength dependence of the photodissociation via the S0→1ππ*→1πσ* channel, accessible with a ∼ 260 nm pulse, is captured in this model. We thereby present the first correlation between experiments and theory within the quantitative regime.
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| 2. |
- Ahlgren, Erik, 1962, et al.
(författare)
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Biokombi Rya - slutrapporter från ingående delprojekt
- 2007
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Rapport (övrigt vetenskapligt/konstnärligt)abstract
- Inom projektet Biokombi Rya har ett flertal olika forskargrupper samarbetat för att studera system¬effekterna av förgasning av biobränsle ur olika aspekter. Syftet med projektet är att öka kunskapen om biobränsleförgasning i Sverige samt att utreda förutsättningar för att sådana anläggningar ska vara ekonomiskt och miljömässigt intressanta. En referensgrupp har varit kopplad till projektet där förutsättningar, resultat och slutsatser har behandlats.I denna underlagsrapport har slutrapporterna från projektets delprojekt samlats. De beskriver förutsättningar, metodansatser, använda data och resultat utförligt och utgör på så sätt ett viktigt komplement till den mer övergripande beskrivningen i projektets syntesrapport. De delrapporter som ingår har valts för att täcka in samtliga delar av projektet som är av allmänt intresse. Projektresultat som publicerats på annat sätt berörs dock mer kortfattat.Projektet Biokombi Rya har pågått under två år (2005-2006) och drivits av Chalmers EnergiCentrum. Förutom de omfattande analysinsatser som författarna till denna rapport står för, har Avdelningen för kemisk teknologi vid KTH, Siemens Industrial Turbines AB och Göteborg Energi AB bidragit med expertstöd. CIT Industriell Energianalys, med undertecknad som projektledare, har stått för projektledning och koordination.Projektet har finansierats av Energimyndigheten, Göteborg Energis forsknings¬stiftelse samt Göteborg Energi AB.
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| 3. |
- Ahmed, Istaq, 1972, et al.
(författare)
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Crystal structure and proton conductivity of BaZr0.9Sc0
- 2008
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Ingår i: Journal of the American Ceramic Society. - : Wiley. - 0002-7820 .- 1551-2916. ; 91:9, s. 3039-3044
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Tidskriftsartikel (refereegranskat)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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| 4. |
- Ahmed, Istaq, 1972, et al.
(författare)
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Location of deuteron sites in the proton conducting perovskite BaZr0.50In0.50O3-y
- 2008
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388. ; 450:1-2, s. 103-110
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Tidskriftsartikel (refereegranskat)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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| 5. |
- Ahmed, Istaq, 1972, et al.
(författare)
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Proton conduction in Perovskite Oxide BaZr0.5Yb0.5O3-δ Prepared by Wet Chemical Route
- 2008
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Ingår i: Journal of the Electrochemical Society. - : The Electrochemical Society. - 1945-7111 .- 0013-4651. ; 155:11, s. 97-102
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Tidskriftsartikel (refereegranskat)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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| 6. |
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| 7. |
- Ahmed, Istaq, 1972, et al.
(författare)
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Structural study and proton conductivity in Yb-doped BaZrO3
- 2007
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Ingår i: Solid State Ionics. - 0167-2738. ; 178:(7-10), s. 515-520
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Tidskriftsartikel (refereegranskat)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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| 8. |
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| 9. |
- Ahmed, Istaq, 1972, et al.
(författare)
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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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Ingår i: Solid State Ionics. - : Elsevier BV. - 0167-2738 .- 1872-7689. ; 177:17-18, s. 1395-1403
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Tidskriftsartikel (refereegranskat)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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| 10. |
- Bergkvist, Goran, et al.
(författare)
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Immediate Loading of Implants in the Edentulous Maxilla : Use of an Interim Fixed Prosthesis Followed by a Permanent Fixed Prosthesis: A 32-Month Prospective Radiological and Clinical Study
- 2009
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Ingår i: Clinical Implant Dentistry and Related Research. - : Wiley. - 1523-0899 .- 1708-8208. ; 11:1, s. 1-10
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Tidskriftsartikel (refereegranskat)abstract
- The aim of this study was to prospectively evaluate the survival rate of splinted and immediately loaded Straumann sandblasted, large-grit, acid-etched, solid-screw dental implants in the edentulous maxilla after 32 months of loading. Twenty-eight patients (mean age 63 years) with edentulous maxillae received 168 implants (six each) and an implant-supported fixed interim prosthesis within 24 hours after surgery. After a mean healing time of 15 weeks, the patients received permanent screw-retained prostheses. Clinical and radiological examinations were made at implant placement and after 8, 20, and 32 months of loading. All permanent prostheses were removed at the 32-month follow-up; implant stability was checked with a torque device, and the implant stability quotient was determined with resonance frequency analysis. Mean marginal bone loss from baseline to 8 months after loading was 1.6 mm (SD 1.16; p = .094), from 8 to 20 months 0.41 mm (SD 0.63; p = .094), and from 20 to 32 months 0.08 mm (SD 0.49; p = .039). The 32-month cumulative survival rate was 98.2%. The 32-month survival of solid-screw implants - immediately loaded within 24 hours after placement - was similar to survival rates reported for solid-screw implants with conventional loading. Immediate loading and splinting of implants in the edentulous maxilla is a viable treatment alternative.
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