| 1. |
- Culina, Antica, et al.
(författare)
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Connecting the data landscape of long-term ecological studies : The SPI-Birds data hub
- 2021
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Ingår i: Journal of Animal Ecology. - : John Wiley & Sons. - 0021-8790 .- 1365-2656. ; 90:9, s. 2147-2160
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Tidskriftsartikel (refereegranskat)abstract
- The integration and synthesis of the data in different areas of science is drastically slowed and hindered by a lack of standards and networking programmes. Long-term studies of individually marked animals are not an exception. These studies are especially important as instrumental for understanding evolutionary and ecological processes in the wild. Furthermore, their number and global distribution provides a unique opportunity to assess the generality of patterns and to address broad-scale global issues (e.g. climate change). To solve data integration issues and enable a new scale of ecological and evolutionary research based on long-term studies of birds, we have created the SPI-Birds Network and Database ()-a large-scale initiative that connects data from, and researchers working on, studies of wild populations of individually recognizable (usually ringed) birds. Within year and a half since the establishment, SPI-Birds has recruited over 120 members, and currently hosts data on almost 1.5 million individual birds collected in 80 populations over 2,000 cumulative years, and counting. SPI-Birds acts as a data hub and a catalogue of studied populations. It prevents data loss, secures easy data finding, use and integration and thus facilitates collaboration and synthesis. We provide community-derived data and meta-data standards and improve data integrity guided by the principles of Findable, Accessible, Interoperable and Reusable (FAIR), and aligned with the existing metadata languages (e.g. ecological meta-data language). The encouraging community involvement stems from SPI-Bird's decentralized approach: research groups retain full control over data use and their way of data management, while SPI-Birds creates tailored pipelines to convert each unique data format into a standard format. We outline the lessons learned, so that other communities (e.g. those working on other taxa) can adapt our successful model. Creating community-specific hubs (such as ours, COMADRE for animal demography, etc.) will aid much-needed large-scale ecological data integration.
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| 2. |
- Hohn, Nuri, et al.
(författare)
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Amphiphilic diblock copolymer-mediated structure control in nanoporous germanium-based thin films
- 2019
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Ingår i: Nanoscale. - : ROYAL SOC CHEMISTRY. - 2040-3364 .- 2040-3372. ; 11:4, s. 2048-2055
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Tidskriftsartikel (refereegranskat)abstract
- Fabrication of porous, foam-like germanium-based (Ge-based) nanostructures is achieved with the use of the amphiphilic diblock copolymer polystyrene-b-polyethylene oxide as structure directing agent. Basic concepts of block copolymer assisted sol-gel synthesis are successfully realized based on the [Ge-9](4-) Zintl clusters as a precursor for Ge-based thin films. Material/elemental composition and crystalline Ge-based phases are investigated via X-ray photoelectron spectroscopy and X-ray diffraction measurements, respectively. Poor-good solvent pair induced phase separation leads to pore sizes in the Ge-based films up to 40 nm, which can be tuned through a change of the molar mixing ratio between polymer template and precursor as proven by grazing incidence small angle X-ray scattering and scanning electron microscopy.
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| 3. |
- Jiang, Xinyu, et al.
(författare)
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Internal nanoscale architecture and charge carrier dynamics of wide bandgap non-fullerene bulk heterojunction active layers in organic solar cells
- 2020
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 8:44, s. 23628-23636
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Tidskriftsartikel (refereegranskat)abstract
- Bulk heterojunction (BHJ) organic solar cells have gained increasing attention in the past few years. In this work, active layers of a wide-bandgap polymer donor with benzodithiophene units PBDB-T-2F and a non-fullerene small molecule acceptor IT-M are assembled into photovoltaic devices with different amounts of solvent additive 1,8-diiodooctane (DIO). The influence of DIO on the nanoscale film morphology and crystalline structure as well as the charge carrier dynamics of the active layers are investigated by combining grazing-incidence small-angle X-ray scattering (GISAXS), grazing-incidence wide-angle X-ray scattering (GIWAXS), X-ray reflectivity (XRR), UV-visible (UV-vis) absorption spectroscopy, X-ray photoelectron spectroscopy (XPS), time-resolved photoluminescence (TRPL) and space charge limited current measurements, which are correlated with the corresponding performance of the solar cells. At 0.5 vol% DIO addition, the wide-bandgap non-fullerene organic solar cells show the best performance due to high open-circuit voltage and short-circuit current resulting from an improved charge carrier management due to the optimal inner nanoscale morphology of the active layers in terms of surface enrichment, crystallinity and crystalline orientation.
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| 4. |
- Fritton, Massimo, et al.
(författare)
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The Role of Kinetics versus Thermodynamics in Surface-Assisted Ullmann Coupling on Gold and Silver Surfaces
- 2019
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Ingår i: Journal of the American Chemical Society. - : AMER CHEMICAL SOC. - 0002-7863 .- 1520-5126. ; 141:12, s. 4824-4832
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Tidskriftsartikel (refereegranskat)abstract
- Surface-assisted Ullmann coupling is the workhorse of on-surface synthesis. Despite its obvious relevance, many fundamental and mechanistic aspects remain elusive. To shed light on individual reaction steps and their progression with temperature, temperature-programmed X-ray photoelectron spectroscopy (TP-XPS) experiments are performed for a prototypical model system. The activation of the coupling by initial dehalogenation is tracked by monitoring Br 3d core levels, whereas the C 1s signature is used to follow the emergence of metastable organometallic intermediates and their conversion to the final covalent products upon heating in real time. The employed 1,3,5-tris(4-bromophenyl)benzene precursor is comparatively studied on Ag(111) versus Au(111), whereby intermolecular bonds and network topologies are additionally characterized by scanning tunneling microscopy (STM). Besides the well-comprehended differences in activation temperatures for debromination, the thermal progression shows marked differences between the two surfaces. Debromination proceeds rapidly on Ag(111), but is relatively gradual on Au(111). While on Ag(111) debromination is well explained by first-order reaction kinetics, thermodynamics prevail on Au(111), underpinned by a close agreement between experimentally deduced and density functional theory (DFT) calculated reaction enthalpies. Thermodynamically controlled debromination on Au(111) over a large temperature range implies an unexpectedly long lifetime of surface-stabilized radicals prior to covalent coupling, as corroborated by TP-XPS of C is core levels. These insights are anticipated to play an important role regarding our ability to rationally synthesize atomically precise low-dimensional covalent nanostructures on surfaces.
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| 5. |
- Paintner, Tobias, et al.
(författare)
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Quantum Tunneling Mediated Interfacial Synthesis of a Benzofuran Derivative
- 2019
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Ingår i: Angewandte Chemie International Edition. - : WILEY-V C H VERLAG GMBH. - 1433-7851 .- 1521-3773. ; 58:33, s. 11285-11290
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Tidskriftsartikel (refereegranskat)abstract
- Reaction pathways involving quantum tunneling of protons are fundamental to chemistry and biology. They are responsible for essential aspects of interstellar synthesis, the degradation and isomerization of compounds, enzymatic activity, and protein dynamics. On-surface conditions have been demonstrated to open alternative routes for organic synthesis, often with intricate transformations not accessible in solution. Here, we investigate a hydroalkoxylation reaction of a molecular species adsorbed on a Ag(111) surface by scanning tunneling microscopy complemented by X-ray electron spectroscopy and density functional theory. The closure of the furan ring proceeds at low temperature (down to 150 K) and without detectable side reactions. We unravel a proton-tunneling-mediated pathway theoretically and confirm experimentally its dominant contribution through the kinetic isotope effect with the deuterated derivative.
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