@article{RyllSchmitzdeBooretal.2018,
  author    = {Ryll, Britta and Schmitz, Andreas and de Boor, Johannes and Franz, Alexandra and Whitfield, Pamela S. and Reehuis, Manfred and Hoser, Andreas and M{\"u}ller, Eckhard and Habicht, Klaus and Fritscht, Katharina},
  title     = {Structure, phase composition, and thermoelectric properties of YbxCo4Sb12 and their dependence on synthesis method},
  series = {ACS applied energy materials},
  volume    = {1},
  journal   = {ACS applied energy materials},
  number    = {1},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2574-0962},
  doi       = {10.1021/acsaem.7b00015},
  pages     = {113 -- 122},
  year      = {2018},
  abstract  = {We present a combined microscopic and macroscopic study of YbxCo4Sb12 skutterudites for a range of nominal filling fractions, 0.15 < x < 0.75. The samples were synthesized using two different methods — a melt-quench-annealing route in evacuated quartz ampoules and a non-equilibrium ball-mill route — for which we directly compare the crystal structure and phase composition as well as the thermoelectric properties. Rietveld refinements of high-quality neutron powder diffraction data reveal about a 30-40\% smaller Yb occupancy on the crystallographic 2a site than nominally expected for both synthesis routes. We observe a maximum filling fraction of at least 0.439(7) for a sample synthesized by the ball-mill routine, exceeding theoretical predictions of the filling fraction limit of 0.2-0.3. A single secondary phase of CoSb2 is observed in ball-mill-synthesized samples, while two secondary phases, CoSb2 and YbSb2, are detected for samples prepared by the ampoule route. A detrimental influence of the secondary phases on the thermoelectric properties is observed for secondary-phase fractions larger than 8 wt \% regardless of the kind of secondary phase. The largest figure of merit of all samples with a ZT ∼ 1.0 at 723 K is observed for the sample with a refined Yb content of x2a = 0.159(3), synthesized by the ampoule route.},
  language  = {en}
}
@article{FranzToebbensLehmannetal.2020,
  author    = {Franz, Alexandra and T{\"o}bbens, Daniel M. and Lehmann, Frederike and K{\"a}rgell, Martin and Schorr, Susan},
  title     = {The influence of deuteration on the crystal structure of hybrid halide perovskites: a temperature-dependent neutron diffraction study of FAPbBr(3)},
  series = {Acta crystallographica; Section B, Structural science, crystal engineering and materials},
  volume    = {76},
  journal   = {Acta crystallographica; Section B, Structural science, crystal engineering and materials},
  number    = {2},
  publisher = {Wiley-Blackwell},
  address   = {Oxford [u.a.]},
  issn      = {2052-5206},
  doi       = {10.1107/S2052520620002620},
  pages     = {267 -- 274},
  year      = {2020},
  abstract  = {This paper discusses the full structural solution of the hybrid perovskite formamidinium lead tribromide (FAPbBr(3)) and its temperature-dependent phase transitions in the range from 3 K to 300 K using neutron powder diffraction and synchrotron X-ray diffraction. Special emphasis is put on the influence of deuteration on formamidinium, its position in the unit cell and disordering in comparison to fully hydrogenated FAPbBr(3). The temperature-dependent measurements show that deuteration critically influences the crystal structures, i.e. results in partially-ordered temperature-dependent structural modifications in which two symmetry-independent molecule positions with additional dislocation of the molecular centre atom and molecular angle inclinations are present.},
  language  = {en}
}