% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Finkeldei:873032,
      author       = {Finkeldei, S. and Stennett, M. C. and Kowalski, P. M. and
                      Ji, Y. and de Visser-Týnová, E. and Hyatt, N. C. and
                      Bosbach, D. and Brandt, F.},
      title        = {{I}nsights into the fabrication and structure of plutonium
                      pyrochlores},
      journal      = {Journal of materials chemistry / A Materials for energy and
                      sustainability A},
      volume       = {8},
      number       = {5},
      issn         = {2050-7496},
      address      = {London ˜[u.a.]œ},
      publisher    = {RSC},
      reportid     = {FZJ-2020-00483},
      pages        = {2387-2403},
      year         = {2020},
      abstract     = {Rare earth zirconates, such as Nd2Zr2O7, crystallise with
                      the pyrochlore structure and are a group of materials which
                      have been suggested as potential nuclear waste forms for
                      actinide immobilisation. In this work, a new hydroxide
                      co-precipitation route is presented to investigate the
                      incorporation of Pu into Nd2Zr2O7. The plutonium content was
                      varied between 5 and 10 $mol\%$ and the structural uptake
                      and Pu oxidation state were probed by X-ray diffraction
                      (XRD), scanning electron microscopy (SEM), and X-ray
                      absorption spectroscopy (XAS). The experimental findings
                      were complemented by DFT ab initio calculations. For all the
                      incorporation mechanisms studied PuO2 was used as the
                      reference reactant state to allow for a direct comparison
                      between the possible Pu uptake scenarios. Analysis of the
                      experimental data suggests that Pu(IV) cations substitute
                      for Nd(III) cations leading to structural distortion of the
                      pyrochlore A-sites. The computed solution energies and
                      bond-distances corroborate the experimental findings and
                      indicate that the excess charge is balanced via the
                      introduction of oxygen at formerly vacant sites.},
      cin          = {IEK-6 / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-6-20101013 / $I:(DE-82)080012_20140620$},
      pnm          = {161 - Nuclear Waste Management (POF3-161) / Investigation
                      of the new materials for safe management of high level
                      nuclear waste. $(jara0038_20121101)$},
      pid          = {G:(DE-HGF)POF3-161 / $G:(DE-Juel1)jara0038_20121101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000521200000063},
      doi          = {10.1039/C9TA05795A},
      url          = {https://juser.fz-juelich.de/record/873032},
}