| 1. |
- Carlson, Stefan, 1965-
(författare)
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High pressure structural investigations using single crystal techniques : influence of pressure on Jahn-Teller distorted alkali manganese fluorides
- 1998
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- The results from high-pressure single-crystal X-ray diffraction studies of some ternary sodium transition metal fluorides are presented. The structures of NaMnF4, Na2MnF5, Na3MnF6 and Na3ScF6 have been investigated at high pressures, and in connection with these studies the Na5Mn3F14 structure has been investigated at ambient pressure. The compressibilities of these compounds are compared in terms of structural features such as atom packing, bulk moduli and Jahn-Teller effect. An introduction to high-pressure diffraction techniques using diamond anvil cells, DAC, is included.Bulk modulus data at pressures lower than 1 GPa show a much higher compressibility for NaMnF4 (B0 = 16 GPa) than for the other compounds (B0 = 46-56 GPa). A successively higher transition pressure for the collapse of the single crystals into polycrystalline specimens is observed in the series NaMnF4 (1.3 GPa), Na2MnF5 (3.0 GPa) and Na3MnF6 (4.0 GPa). This can be explained in terms of the different connectivity between corner-sharing MnF6 octahedra, since NaMnF4 contains two-dimensional layers of corner-connected octahedra, Na2MnF5 one-dimensional strings, and Na3MnF6 isolated octahedra.The transitions in the Mn3+-containing compounds (d4 ion) are shown to be dependent on structural changes due to the Jahn-Teller distortions of the MnF6 octahedra. Both X-ray diffraction and spectroscopic studies of Na3MnF6 show a reversible phase transition at 2.2 GPa, which implies a reorientation of the static prolate Jahn-Teller distortions of the co-ordination around Mn3+. The Na3ScF6 compound, containing Sc3+ (d0 ion), shows no such transitions. Preliminary investigations of NaMnF4, Na2MnF5 and Na3MnF6 by high-pressure powder techniques show that new polycrystalline phases are formed when the pressure is raised above that where the single crystals collapse.
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| 2. |
- Adams, Emma, 1989, et al.
(författare)
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Structure-function relationship for alumina supported platinum during formation of ammonia from nitrogen oxide and hydrogen in presence of oxygen
- 2016
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Ingår i: Physical Chemistry Chemical Physics. - 1463-9084 .- 1463-9076. ; 18:16, s. 10850-10855
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Tidskriftsartikel (refereegranskat)abstract
- We study the structure-function relationship of alumina supported platinum during forma- tion of ammonia from nitrogen oxide and dihydrogen by employing in situ X-ray absorption and Fourier transformed infrared spectroscopy. Particular focus is directed towards the effect of increased levels of oxygen on the reaction as a model system for emerging technologies for passive selective catalytic reduction of nitrogen oxides. The suppressed formation of ammo- nia observed as the feed becomes net-oxidizing is accompanied by a considerable increase in the oxidation state of platinum as well as enhanced formation of surface nitrates and loss of NH-containing surface species. In the presence of (excess) oxygen, the ammonia formation is proposed to be limited by the weak interaction between nitrogen oxide and the oxidized platinum surface. This leads to slow dissociation rate of nitrogen oxide and thus low abun- dance of atomic nitrogen surface species that can react with adsorbed hydrogen atoms. In this case the consumption of hydrogen through the competing water formation reaction and decomposition/oxidation of ammonia are of less importance for the net ammonia formation.
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| 3. |
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| 4. |
- Martin, Natalia Mihaela, 1984, et al.
(författare)
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A LEIS and in situ XAS study of supported Pd-Pt catalysts for CH4 oxidation
- 2016
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)abstract
- It is of vital importance to remove methane (CH4) from the exhausts of natural gas and biogas fueled engines as CH4 is a strong greenhouse gas. So far Pd-based catalysts have been used almost exclusively but their high sensitivity to sulfur and water pushes research to explore other materials. Among these are Pd-Pt catalysts [1-4], which exhibit a slight increase in CH4 oxidation activity with time and higher long-term stability than the Pd-only counterpart [5-7]. Still, however, little is known about the oxidation-reduction behaviour of the Pd-Pt nanoclusters and how this impacts the catalytic activity. This study aims at increase the understanding of the catalytic activity of Al2O3-supported Pd-Pt nanoclusters for low-temperature CH4 oxidation under transient, although generally lean, conditions.
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| 5. |
- Martin, Natalia Mihaela, 1984, et al.
(författare)
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Characterization of Surface Structure and Oxidation/Reduction Behaviour of Pd-Pt/Al2O3 Model Catalysts
- 2016
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 120:49, s. 28009-28020
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Tidskriftsartikel (refereegranskat)abstract
- Structural and morphological characterisation of bimetallic Pd-Pt/Al2O3 model cat- alysts are performed using X-ray diffraction, X-ray absorption spectroscopy, transmis- sion electron microscopy and CO chemisorption. Further, the catalysts were studied under oxidising and reducing conditions using both X-ray absorption spectroscopy and low-energy ion scattering spectroscopy. For the as-prepared catalysts, the existence of alloyed bimetallic Pd-Pt particles and of (tetragonal) PdO were found for the samples calcined at 800 C. PdO is present in form of crystals at the surface of the Pd-Pt par- ticles or as isolated PdO crystals on the support oxide. Bimetallic Pd-Pt nanoparticles were only formed on the Pd-Pt catalysts after calcination at 800 C. The results show that the Pd-Pt nanoparticles undergo reversible changes in surface structure composi- tion and chemical state in response to oxidising or reducing conditions. Under oxidising conditions Pd segregates to the shell and oxidises forming PdO, while under reducing conditions regions with metallic Pd and Pd-Pt alloys were observed at the surface. No bimetallic Pd-Pt nanoparticles were observed for the sample initially calcined at 500 C, but instead isolated monometallic particles, where small Pt particles are easily oxidised under O2 treatment. In the monometallic catalysts, the Pd is found to be com- pletely oxidised already after calcination and to consist of metallic Pd after reductive treatment.
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| 6. |
- Martin, Natalia Mihaela, 1984, et al.
(författare)
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Study of methane oxidation over alumina supported Pd-Pt catalysts using operando DRIFTS/MS and in situ XAS techniques
- 2017
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Ingår i: Catalysis, Structure and Reactivity. - 2055-0758. ; 3:1-2, s. 24-32
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Tidskriftsartikel (refereegranskat)abstract
- Methane oxidation over Pd–Pt/Al2O3 model catalysts calcined at three different conditions is investigated using operando diffuse reflectance infrared Fourier transform spectroscopy and mass spectrometry, and in situ X-ray absorption spectroscopy while cycling the feed gas stoichiometry between lean (net-oxidising) and rich (net-reducing) conditions. When calcined in air, alloy Pd–Pt nanoparticles are present only on catalysts subjected to elevated temperature (800 ◦C) whereas calcination at lower temperature (500◦C) leads to segregated Pt and Pd nanoparticles on the support. Here, we show that the alloy Pd–Pt nanoparticles undergo reversible changes in surface structure and composition during transient methane oxidation exposing a PdO surface during lean conditions and a metallic Pd–Pt surface (Pd enriched) under rich conditions. Alloyed particles seem more active for methane oxidation than their monometallic counterparts and, furthermore, an increased activity for methane oxidation is clearly observed under lean conditions when PdO has developed on the surface, analogous to monometallic Pd catalysts. Upon introducing rich conditions, partial oxidation of methane dominates over total oxidation forming adsorbed carbonyls on the noble metal particles. The carbonyl spectra for the three samples show clear differences originating from different surfaces exposed by alloyed vs. non-alloyed particles. The kinetics of the noble metal oxidation and reduction processes as well as carbonyl formation during transient methane oxidation are discussed.
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| 7. |
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| 8. |
- Mårdberg, Peter, et al.
(författare)
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Using a formal high-level language and an automated manikin to automatically generate assembly instructions
- 2014
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Ingår i: International Journal of Human Factors Modelling and Simulation. - : InderScience Publishers. - 1742-5549. ; 4:3, s. 233-249
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Tidskriftsartikel (refereegranskat)abstract
- This paper presents an approach to automatically generate predetermined motion time system (PMTS) based assembly instruction lists from simulations within digital human modelling (DHM) software. A formal high-level instruction language is used to instruct an automated manikin to perform assembly operations. The manikin, the language and the assembled objects are composed into a discrete model. In a post-computational step, the model is used to construct PMTS instruction lists by mapping the manikin motions, assembled objects and the language instructions onto a set of PMTS keywords. The described approach is implemented in the DHM software IMMA and tested on industrial cases of manual assembly in the automotive industry.
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| 9. |
- Ramji, Rathi, et al.
(författare)
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Health and quality of life among women after participation in a CBPR-informed physical activity intervention : with a pandemic perspective.
- 2023
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Ingår i: Scientific Reports. - : Springer Nature. - 2045-2322. ; 13:1
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Tidskriftsartikel (refereegranskat)abstract
- The lack of culturally and contextually oriented interventions promoting physical activity (PA) has led to increased physical inactivity among women living in disadvantaged neighbourhoods in Sweden. In this study one such intervention informed by community-based participatory research (CBPR) has been evaluated among 34 women from a disadvantaged neighbourhood before and during COVID-19. Health-related quality of life (HRQOL), behavioural and biomedical outcomes were assessed directly prior and post-intervention, followed by evaluations at 6-months and 18-months follow-up during COVID-19. The results revealed that HRQOL, particularly psychological, social, and environmental health significantly increased post-intervention compared to prior to intervention but reversed back at 6-months follow-up. Perceived health satisfaction and environmental health increased at 18-months follow-up during COVID-19. Participation in PA improved post-intervention and at 6-months follow-up. Everyday activities and fruit and vegetable intake continued to increase through all timepoints. Systolic blood pressure significantly decreased post-intervention and 6-months follow-up; blood flow rate increased significantly at all timepoints. Overall, the findings underscores the potential effectiveness of CBPR approaches in promoting and sustaining healthy lifestyles, even during acute situations such as the COVID-19. It may even serve as a future model for promoting health and addressing health disparities in similar groups.
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| 10. |
- Wang, Xueting, 1991, et al.
(författare)
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Copper-modified zeolites and silica for conversion of methane to methanol
- 2018
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Ingår i: Catalysts. - : MDPI AG. - 2073-4344. ; 8:11
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Tidskriftsartikel (refereegranskat)abstract
- Powder materials containing copper ions supported on ZSM-5 (Cu-Zeolite Socony Mobil-5) and SSZ-13 (Cu-Standard Oil synthesised zeolite-13), and predominantly CuO nanoparticles on amorphous SiO2 were synthesised, characterised, wash-coated onto ceramic monoliths and, for the first time, compared as catalysts for direct conversion of methane to methanol (DCMM) at ambient pressure (1 atm) using O2, N2 O and NO as oxidants. Methanol production was monitored and quantified using Fourier transform infrared spectroscopy. Methanol is formed over all monolith samples, though the formation is considerably higher for the copper-exchanged zeolites. Hence, copper ions are the main active sites for DCMM. The minor amount of methanol produced over the Cu/SiO2 sample, however, suggests that zeolites are not the sole substrate that can host those active copper sites but also silica. Further, we present the first ambient pressure in situ infrared spectroscopic measurements revealing the formation and consumption of surface methoxy species, which are considered to be key intermediates in the DCMM reaction.
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