@article{WeisSpiekermannSternemannetal.2018,
  author    = {Weis, Christopher and Spiekermann, Georg and Sternemann, Christian and Harder, Manuel and Vanko, Gyorgy and Cerantola, Valerio and Sahle, Christoph J. and Forov, Yury and Sakrowski, Robin and Kupenko, Ilya and Petitgirard, Sylvain and Yavas, Hasan and Bressler, Christian and Gawelda, Wojciech and Tolan, Metin and Wilke, Max},
  title     = {Combining X-ray K beta(1,3), valence-to-core, and X-ray Raman spectroscopy for studying Earth materials at high pressure and temperature},
  series = {Journal of analytical atomic spectrometry},
  volume    = {34},
  journal   = {Journal of analytical atomic spectrometry},
  number    = {2},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {0267-9477},
  doi       = {10.1039/c8ja00247a},
  pages     = {384 -- 393},
  year      = {2018},
  abstract  = {X-ray emission and X-ray Raman scattering spectroscopy are powerful tools to investigate the local electronic and atomic structure of high and low Z elements in situ. Notably, these methods can be applied for in situ spectroscopy at high pressure and high temperature using resistively or laser-heated diamond anvil cells in order to achieve thermodynamic conditions which appear in the Earth's interior. We present a setup for combined X-ray emission and X-ray Raman scattering studies at beamline P01 of PETRA III using a portable wavelength-dispersive von Hamos spectrometer together with the permanently installed multiple-analyzer Johann-type spectrometer. The capabilities of this setup are exemplified by investigating the iron spin crossover of siderite FeCO3 up to 49.3 GPa by measuring the Fe M2,3-edge and the Fe Kβ1,3 emission line simultaneously. With this setup, the Fe valence-to-core emission can be detected together with the Kβ1,3 emission line providing complementary information on the sample's electronic structure. By implementing a laser-heating device, we demonstrate the strength of using a von Hamos type spectrometer for spin state mapping at extreme conditions. Finally, we give different examples of low Z elements' absorption edges relevant for application in geoscience that are accessible with the Johann-type XRS spectrometer. With this setup new insights into the spin transition and compression mechanisms of Earth's mantle materials can be obtained of importance for comprehension of the macroscopic physical and chemical properties of the Earth's interior.},
  language  = {en}
}
@article{SahleNiskanenSchmidtetal.2017,
  author    = {Sahle, Christoph J. and Niskanen, Johannes and Schmidt, Christian and Stefanski, Johannes and Gilmore, Keith and Forov, Yury and Jahn, Sandro and Wilke, Max and Sternemann, Christian},
  title     = {Cation Hydration in Supercritical NaOH and HCl Aqueous Solutions},
  series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry},
  volume    = {121},
  journal   = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1520-6106},
  doi       = {10.1021/acs.jpcb.7b09688},
  pages     = {11383 -- 11389},
  year      = {2017},
  abstract  = {We present a study of the local atomic environment of the oxygen atoms in the aqueous solutions of NaOH and HCl under simultaneous high-temperature and high-pressure conditions. Experimental nonresonant X-ray Raman scattering core-level spectra at the oxygen K-edge show systematic changes as a function of temperature and pressure. These systematic changes are distinct for the two different solutes and are described well by calculations within the Bethe- Salpeter formalism for snapshots from ab initio molecular dynamics simulations. The agreement between experimental and simulation results allows us to use the computations for a detailed fingerprinting analysis in an effort to elucidate the local atomic structure and hydrogen-bonding topology in these relevant solutions. We observe that both electrolytes, especially NaOH, enhance hydrogen bonding and tetrahedrality in the water structure at supercritical conditions, in particular in the vicinity of the hydration shells. This effect is accompanied with the association of the HCl and NaOH molecules at elevated temperatures.},
  language  = {en}
}
@article{WeisSternemannCerantolaetal.2017,
  author    = {Weis, Christopher and Sternemann, Christian and Cerantola, Valerio and Sahle, Christoph J. and Spiekermann, Georg and Harder, Manuel and Forov, Yury and Kononov, Alexander and Sakrowski, Robin and Yavas, Hasan and Tolan, Metin and Wilke, Max},
  title     = {Pressure driven spin transition in siderite and magnesiosiderite single crystals},
  series = {Scientific reports},
  volume    = {7},
  journal   = {Scientific reports},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {2045-2322},
  doi       = {10.1038/s41598-017-16733-3},
  pages     = {10},
  year      = {2017},
  language  = {en}
}