| 1. |
- Cappel, Ute B, et al.
(författare)
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Electronic structure dynamics in a low bandgap polymer studied by time-resolved photoelectron spectroscopy.
- 2016
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry. - 1463-9076 .- 1463-9084. ; 18:31, s. 21921-9
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Tidskriftsartikel (refereegranskat)abstract
- Means to measure the temporal evolution following a photo-excitation in conjugated polymers are a key for the understanding and optimization of their function in applications such as organic solar cells. In this paper we study the electronic structure dynamics by direct pump-probe measurements of the excited electrons in such materials. Specifically, we carried out a time-resolved photoelectron spectroscopy (TRPES) study of the polymer PCPDTBT by combining an extreme ultraviolet (XUV) high harmonic generation source with a time-of-flight spectrometer. After excitation to either the 1st excited state or to a higher excited state, we follow how the electronic structure develops and relaxes on the electron binding energy scale. Specifically, we follow a less than 50 fs relaxation of the higher exited state and a 10 times slower relaxation of the 1st excited state. We corroborate the results using DFT calculations. Our study demonstrates the power of TRPES for studying photo-excited electron energetics and dynamics of solar cell materials.
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| 2. |
- Iraola, Aitor, et al.
(författare)
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Microtomography-based Inter-Granular Network for the simulation of radionuclide diffusion and sorption in a granitic rock
- 2017
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Ingår i: Journal of Contaminant Hydrology. - : Elsevier BV. - 0169-7722 .- 1873-6009. ; 207, s. 8-16
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Tidskriftsartikel (refereegranskat)abstract
- Field investigation studies, conducted in the context of safety analyses of deep geological repositories for nuclear waste, have pointed out that in fractured crystalline rocks sorbing radionuclides can diffuse surprisingly long distances deep into the intact rock matrix; i.e. much longer distances than those predicted by reactive transport models based on a homogeneous description of the properties of the rock matrix. Here, we focus on cesium diffusion and use detailed micro characterisation data, based on micro computed tomography, along with a grain-scale Inter-Granular Network model, to offer a plausible explanation for the anomalously long cesium penetration profiles observed in these in-situ experiments. The sparse distribution of chemically reactive grains (i.e. grains belonging to sorbing mineral phases) is shown to have a strong control on the diffusive patterns of sorbing radionuclides. The computed penetration profiles of cesium agree well with an analytical model based on two parallel diffusive pathways. This agreement, along with visual inspection of the spatial distribution of cesium concentration, indicates that for sorbing radionuclides the medium indeed behaves as a composite system, with most of the mass being retained close to the injection boundary and a non-negligible part diffusing faster along preferential diffusive pathways.
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| 3. |
- Müller, Dieter K., 1968-, et al.
(författare)
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Making "wilderness" in a northern natural resource periphery : on restructuring and production of a pleasure periphery in northern Sweden
- 2019
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Ingår i: The politics of Arctic resources. - London : Routledge. - 9781138040601 - 9781315174969 ; , s. 99-118
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Bokkapitel (refereegranskat)abstract
- Chapter 6 takes up the more recently developed sector of tourism, problematizing the assumptions inherent in conceptions such as "resource periphery" and "pleasure periphery". Instead, the chapter shows that resource use and tourism may well interact, and that tourism even largely relates to mining or mining infrastructure: the extensive existence of infrastructure related to resource uses and industrial as well as post-industrial development at large can even be seen as the basis for tourists being able to access the "wilderness".
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| 4. |
- Ren, Yansong, et al.
(författare)
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A Multicontrolled Enamine Configurational Switch Undergoing Dynamic Constitutional Exchange
- 2018
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Ingår i: Angewandte Chemie International Edition. - : Wiley. - 1433-7851 .- 1521-3773. ; 57:21, s. 6256-6260
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Tidskriftsartikel (refereegranskat)abstract
- A multiresponsive enamine-based molecular switch is presented, in which forward/backward configurational rotation around the C=C bond could be precisely controlled by the addition of an acid/base or metal ions. Fluorescence turn-on/off effects and large Stokes shifts were observed while regulating the switching process with CuII. The enamine functionality furthermore enabled double dynamic regimes, in which configurational switching could operate in conjunction with constitutional enamine exchange of the rotor part. This behavior was used to construct a prototypical dynamic covalent switch system through enamine exchange with primary amines. The dynamic exchange process could be readily turned on/off by regulating the switch status with pH.
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| 5. |
- Ren, Yansong, et al.
(författare)
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Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H+-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties
- 2018
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Ingår i: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 140:42, s. 13640-13643
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Tidskriftsartikel (refereegranskat)abstract
- Multistimuli-responsive enaminitrile-based configurational switches displaying aggregation-induced emission (AIE), fluorescence turn-on effects, and super gelation properties are presented. The E-isomers dominated (>97%) in neutral/basic solution, and the structures underwent precisely controlled switching around the enamine C=C bond upon addition of acid/base. Specific fluorescence output was observed in response to different external input in the solution and solid states. In response to H+, configurational switching resulted in complete formation of the nonemissive Z-H+-isomers in solution, however displaying deep-blue to blue fluorescence (Phi(F) up to 0.41) in the solid state. In response to Cu-II in the solution state, the E-isomers exhibited intense, turn-on, blue-green fluorescence, which could be turned off by addition of competitive coordination. The acid/base-activated switching, together with the induced AIE-effects, further enabled the accomplishment of a responsive superorganogelator. In nonpolar solvents, a blue-fluorescent supramolecular gel was formed upon addition of acid to the E-isomer suspension. The gelation could be reversed by addition of base, and the overall, reversible process could be repeated at least five cycles.
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| 6. |
- Svensson, Urban, et al.
(författare)
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Grains, grids and mineral surfaces : approaches to grain-scale matrix modeling based on X-ray micro-computed tomography data
- 2019
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Ingår i: SN Applied Sciences. - : Springer Nature. - 2523-3963 .- 2523-3971. ; 1:10
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Tidskriftsartikel (refereegranskat)abstract
- X-ray micro-computed tomography (X-μCT) generates 3D mineral distribution maps currently with a resolution of about 10 μm. For tight crystalline rocks, this implies that the mineral grains are well resolved, while micro-fractures, having apertures of less than 10 μm, are not resolved. In this study, we propose a method to analyze the properties (size, volume, surface area) of the mineral grains based on X-μCT data. The numerical approach uses a resolution similar to that of the X-μCT data and hence shares the same limitations. For example, it is clear that a large fraction of the mineral surface area is due to so-called roughness, with scales below 10 μm. In the second part of the study, methods to generate the diffusion-available pore space are discussed. The inter-granular space (distance between grains) is often smaller than 10 μm, and we need to design methods to be able to perform diffusion simulations in the matrix. Three methods, all based on X-μCT, are discussed, and it is demonstrated that models with realistic global properties (mean porosity and effective diffusion coefficient) can be developed based on the suggested techniques.
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| 7. |
- Svensson, Urban, et al.
(författare)
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Modelling the diffusion-available pore space of an unaltered granitic rock matrix using a micro-DFN approach
- 2018
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Ingår i: Journal of Hydrology. - : Elsevier BV. - 0022-1694 .- 1879-2707. ; 559, s. 182-191
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Tidskriftsartikel (refereegranskat)abstract
- In sparsely fractured rock, the ubiquitous heterogeneity of the matrix, which has been observed in different laboratory and in situ experiments, has been shown to have a significant influence on retardation mechanisms that are of importance for the safety of deep geological repositories for nuclear waste. Here, we propose a conceptualisation of a typical heterogeneous granitic rock matrix based on micro-Discrete Fracture Networks (micro-DFN). Different sets of fractures are used to represent grain-boundary pores as well as micro fractures that transect different mineral grains. The micro-DFN model offers a great flexibility in the way inter- and intra-granular space is represented as the different parameters that characterise each fracture set can be fine tuned to represent samples of different characteristics. Here, the parameters of the model have been calibrated against experimental observations from granitic rock samples taken at Forsmark (Sweden) and different variant cases have been used to illustrate how the model can be tied to rock samples with different attributes. Numerical through-diffusion simulations have been carried out to infer the bulk properties of the model as well as to compare the computed mass flux with the experimental data from an analogous laboratory experiment. The general good agreement between the model results and the experimental observations shows that the model presented here is a reliable tool for the understanding of retardation mechanisms occurring at the mm-scale in the matrix.
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