Contact

Porträt Dr. habil. Scheinost, Andreas; FWOS

Dr. habil. Andreas Scheinost
Head

Phone: +33 476 88 2462, +33 6 340 358 18
Fax: +49 351 260 3553

Jana Gorzitze
Secretariat
Institute of Resource Ecology
j.gorzitzeAthzdr.de
Phone: +49 351 260 3233
Fax: +49 351 260 13233

Planned Shutdown
January 1, 2018
Please note the long shutdown of ESRF in 2019/2020.
Already in 2018, beamtime is limited to Jan-Jun and Nov-Dec!

Vorschau-Bild

H. Rojo, A. C. Scheinost, B. Lothenbach, A. Laube, E. Wieland and J. Tits, Dalton Transactions 2018, 47, 4209-4218.

Retention of selenium by concrete barriers

Structure and sorption of an elusive anion, HSe-

HSe- is barely sorbed by most minerals, posing a significant risk for the safe disposal of this long-lived fission product. The cement barrier foreseen for intermediate-level waste repositories, however, contains AFm phases, which due to their anion exchanging properties may be able to retain HSe-1.

Retention of selenium by concrete barriers ©Copyright: HZDR/Scheinost

Here we could show that HSe- is in fact significantly sorbed in the interlayers of AFm-HC.

HSe- is lesser sorbed by a similar phase, AFm-MC, due to the lesser accessibility of its interlayer space.


A. Amon, A. Ormeci, M. Bobnar, L. G. Akselrud, M. Avdeev, R. Gumeniuk, U. Burkhardt, Y. Prots, C. Hennig, A. Leithe-Jasper and Y. Grin, Accounts of Chemical Research 2018, 51, 214-222. IF 20.3

Cluster formation in the superconducting intermetallic Be21Pt5

Solving the crystal structure of this new superconductor (Tc = 2.1 K)

X-ray diffraction: localization of the heavier Pt atoms

Neutron diffraction: localization of the light Be-atoms (differential Fourier syntheses)

Analysis of chemical bonding in Be21Pt5 by electron localizability indicator (ELI)

Cluster formation in the superconducting intermetallic Be21Pt5 ©Copyright: HZDR/Scheinost

TOP: Fundamental understanding of Ln/An (hydr)oxide nanoparticles
successful ERC Grant by Kristina Kvashnina

Press release "Ganz unten im Periodensystem - HZDR-Forscherin erhält millionenschwere Nachwuchsförderung der Europäischen Union"

TOP: Fundamental understanding of Ln/An (hydr)oxide nanoparticles - successful ERC Grant by Kristina Kvashnina ©Copyright: HZDR/Scheinost

Gregson, M., Lu, E., Mills, D.P., Tuna, F., McInnes, E.J.L., Hennig, C., Scheinost, A.C., McMaster, J., Lewis, W., Blake, A.J., Kerridge, A. and Liddle, S.T. (2017) The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes. Nature Communications 8, 14137. IF 12.1

Principles of chemical bonding:
Trans-configuration a general rule for lanthanides and actinides?

Principles of chemical bonding:Trans-configuration a general rule for lanthanides and actinides? ©Copyright: HZDR/Scheinost

Butorin, S.M, Kvashnina, K.O., Prieur, D., Rivenet, M., Martin, P.M. (2017) Chem. Comm. 53, 115.

Towards the safe disposal of spent nuclear fuel:
Charge compensation mechanisms in Ln-doped UO2

Ln-doped UO2 as model for spent nuclear fuel with lanthanide fission products

High-resolution M4-edge spectroscopy crucial to resolve electronic structure of actinides:

  • Charge of LnIII is compensated for by equimolar formation of UV
  • Significant change of bond covalency, from Mott-Hubbard in undoped UO2 to U 5f-O 2p hybridization in Ln-doped UO2
Towards the safe disposal of spent nuclear fuel: Charge compensation mechanisms in Ln-doped UO2 ©Copyright: HZDR/Scheinost

Fröhlich, D.R., et al., Inorganic Chemistry, 2017, 56, 6820-6829.

Deciphering Am speciation in presence of formate

Deciphering Am speciation in presence of formate ©Copyright: HZDR/Scheinost

Challenge for EXAFS, since small spectroscopic variations (< 9%) in pH-range 2 to 4

Combined DFT and advanced statistical analysis of EXAFS (ITFA):

  • confirmed thermodynamic constants
  • deciphered structure of the two (monodentate) 1:1 and 1:2 Am-formate complexes

C. Hennig, S.Weiss, W. Kraus, J. Kretzschmar, A. C. Scheinost, Inorg. Chem. 2017, 56, 2473-2480

Solution species and crystal structure of Zr(IV) acetate

Solution species and crystal structure of Zr(IV) acetate ©Copyright: HZDR/Scheinost

The complex formation of zirconium with acetic acid was investigated with Zr K-edge EXAFS

spectroscopy and single crystal diffraction. Zr K edge EXAFS spectra show that a stepwise

increase of acetic acid in aqueous solution with 0.1 M Zr(IV) leads to a structural rearrangement

from initial tetranuclear hydrolysis species [Zr4(OH)8(OH2)16]8+ to a hexanuclear

acetate species Zr6(O)4(OH)4(CH3COO)12.