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53. Effects of a Mixed O/F Ligand in the Tavorite-Type LiVPO4O StructureSorour Semsari Parapari, Jean-Marcel Ateba Mba, Elena Tchernychova, Gregor Mali, Iztok Arčon, Gregor Kapun, Mehmet Ali Gülgün, Robert Dominko, 2020, original scientific article Abstract: We report the synthesis and detailed structural
and chemical characterization including electrochemical
properties of a lithium vanadium oxy/fluoro-phosphate
material. To the best of our knowledge, we have for the first
time synthesized a LiVPO4O-type phase with a mixed O/F
ligand. In the synthesis procedure, the LiVPO4O precursor
compound was fluorinated via LiF incorporation, with
preservation of the LiVPO4O framework structure. The
operating potential of the synthesized material is increased
compared to that of the LiVPO4O precursor (4.12 V vs 3.95 V
versus metallic lithium, respectively). The related increase in
operating potential was assigned to the effect of the
intermixing O/F ligand, which is attained via the successful
fluorine incorporation into the LiVPO4O structure. A characterization of the investigated materials was performed using
microscale-covering XRD, XANES, and NMR techniques as well as nanoscale spatially resolved imaging and analytical STEM
techniques. The obtained oxy/fluoro-phosphate phase is isostructural to LiVPO4O; however, the presence of the mixed O/F
ligand promoted a higher symmetry of vanadium octahedra. These variations of the vanadium local environment along with the
observed inhomogeneous distribution of the incorporated fluorine gave rise to the minor local deviations in vanadium valence.
Our results clearly emphasize the connection among the fluorine ligand incorporation, its local distribution, and the
electrochemical properties of the material.
Keywords: LiVPO4O, XRD, SEM, V XANES, Tavorite-Type, electrochemical properties
Published in RUNG: 17.02.2020; Views: 4114; Downloads: 0
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54. Elucidation of Donor:Acceptor Phase Separation in Nonfullerene Organic Solar Cells and Its Implications on Device Performance and Charge Carrier MobilitySebastian F. Hoefler, Georg Haberfehlner, Thomas Rath, Andreas Keilbach, Mathias Hobisch, Alexander Dixon, Egon Pavlica, Gvido Bratina, Gerald Kothleitner, Ferdinand Hofer, Gregor Trimmel, 2019, original scientific article Abstract: In bulk-heterojunction solar cells, the device performance strongly depends on the donor and acceptor properties, the phase separation in the absorber layer, and the formation of a bicontinuous network. While this phase separation is well explored for polymer:fullerene solar cells, only little is known for polymer:nonfullerene acceptor solar cells. The main hurdle in this regard is often the chemical similarity of the conjugated polymer donor and the organic nonfullerene acceptor (NFA), which makes the analysis of the phase separation via atomic force microscopic (AFM) phase images or conventional transmission electron microscopy difficult. In this work, we use the donor polymer PTB7-Th and the small molecule acceptor O-IDTBR as the model system and visualized the phase separation in PTB7-Th:O-IDTBR bulk-heterojunctions with different donor:acceptor ratios via scanning transmission electron microscopy (STEM) high-angle annular dark-field (HAADF) images and electron energy loss spectroscopy (EELS) based elemental mapping, which resulted in a good contrast between the donor and the acceptor despite very low differences in the chemical composition. AFM as well as grazing-incidence wide-angle X-ray scattering (GIWAXS) investigations support the electron microscopic data. Furthermore, we elucidate the implications of the phase separation on the device performance as well as charge carrier mobilities in the bulk-heterojunction layers, and a high performance of the solar cells was found over a relatively broad range of polymer domain sizes. This can be related to the larger domain sizes of the acceptor phase with higher amounts of O-IDTBR in the blend, while the polymer donor phase still forms continuous pathways to the electrode, which keeps the hole mobility at a relatively constant level.
Keywords: nanomorphology bulk-heterojunction scanning transmission electron microscopy organic photovoltaics charge carrier mobility
Published in RUNG: 15.01.2020; Views: 4156; Downloads: 93
 Full text (6,22 MB) |
55. A consensus protocol for the in silico optimisation of antibody fragmentsMiguel Soler, Barbara Medagli, Marta S. Semrau, Paola Storici, Gregor Bajc, Ario De Marco, Alessandro Laio, Sara Fortuna, 2019, original scientific article Keywords: nanobodies, in silico design, Her2
Published in RUNG: 21.11.2019; Views: 4335; Downloads: 0
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57. Comparative analysis of fusion tags used to functionalize recombinant antibodiesArio De Marco, Gianluca Veggiani, Barbara Giabbai, Marta Semrau, Barbara Medagli, Vincenzo Riccio, Gregor Bajc, Paola Storici, 2020, original scientific article Keywords: recombinant antibodies, protein production, fusion tags
Published in RUNG: 30.09.2019; Views: 4089; Downloads: 71
Full text (740,27 KB) |
58. Unraveling the arrangement of Al and Fe within the framework explains the magnetism of mixed-metal MIL-100(Al,Fe)Gregor Mali, Matjaž Mazaj, Iztok Arčon, Darko Hanžel, Denis Arčon, Zvonko Jagličić, 2019, original scientific article Abstract: Properties of mixed-metal MOFs depend on the distribution of different
metals within their frameworks. Determination of this distribution is often very
challenging. Using an example of aluminum- and iron-containing MIL-100, we
demonstrate that 27Al NMR spectroscopy, when combined with first-principles
calculations and magnetic, X-band electron paramagnetic resonance, Fe K-edge extended
X-ray absorption fine structure, and Mössbauer measurements, enables one to accurately
determine the arrangement of Al and Fe within the metal trimers, which are the basic
building units of MIL-100. In this particular material, the incorporation of Fe and Al on
the framework metal sites is random. Crucial for deciphering the arrangement is detecting
NMR signals, shifted because of the strong hyperfine interaction between the 27Al nuclei
and the unpaired electronic spins of Fe3+ ions, assigning the shifted signals aided by first-principles calculations of hyperfine
couplings, and quantitatively evaluating the NMR intensities and the measured effective magnetic moment.
Keywords: Fe EXAFS, XANES, MIL100, MOF, magnetizem
Published in RUNG: 26.03.2019; Views: 4471; Downloads: 0
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59. Oprema za izboljšanje snemanjaGregor Dvornik, 2019, undergraduate thesis Abstract: Diplomsko delo predstavlja tehnologijo in pripomočke, ki se uporabljajo pri snemanju.
V nalogi so tako predstavljeni nekateri najbolj uporabljeni pripomočki pri snemanju, kot so žerjav, voziček, helikopter, gimbal in drugi. Vsak pripomoček ima tudi predstavljeno kratko zgodovino nastanka ter opisano njegovo uporabo.
Zgodovina teh pripomočkov je zelo slabo ohranjena. V večini primerov se oprema kar pojavi pri snemanju. Temu lahko pripišemo hiter razvoj filmske industrije in potrebi po izboljšanju vizualnega doživetja gledalcev.
V diplomski nalogi je predstavljena uporaba in delovanje pripomočkov ter domača ali DIY izdelava in nasveti, zakaj da in zakaj ne pripomoček narediti doma.
Keywords: Oprema, pripomočki snemanja, zgodovina propomočkov, tehnologija, delovanje
Published in RUNG: 21.01.2019; Views: 5267; Downloads: 173
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60. AleksandrinkeNarvika Bovcon, Gregor Kerševan, Matej Kočevar, Katja Mihurko, complete scientific database of research data Abstract: Zbirka podatkov in fotografij Aleksandrinke je nastala v okviru projekta programske sheme “Projektno delo z negospodarskim in neprofitnim sektorjem – Študentski inovativni projekti za družbeno korist 2016–2018”.
V interdisciplinarnem projektu so študenti in študentke ustvarili_e spletno stran s podatkovno zbirko o aleksandrinkah, vanjo so vpisali_e podatke o aleksandrinkah, ki jih je pridobilo Društvo za ohranjanje kulturne dediščine aleksandrink. Fotografirali_e so predmete, ki so pripadali aleksandrinkam, in digitalizirali_e del zbirke fotografij, ki jih hrani Društvo za ohranjanje kulturne dediščine aleksandrink.
Keywords: aleksandrinke
Published in RUNG: 08.01.2019; Views: 4507; Downloads: 0 |
