Atomistic modeling of radionuclide-bearing materials for safe management of high level nuclear waste. ⇨

Recent Publications

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS | 

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Finkeldei, S. (Corresponding author) ; Stennett, M. C. ; Kowalski, P. M.FZJ* ; Ji, Y. ; de Visser-Týnová, E. ; Hyatt, N. C. ; Bosbach, D.FZJ* ; Brandt, F.FZJ*
Insights into the fabrication and structure of plutonium pyrochlores
Journal of materials chemistry / A Materials for energy and sustainability A 8(5), 2387-2403 (2020) [10.1039/C9TA05795A]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Murphy, G.FZJ* ; Wang, C.-H. ; Zhang, Z. (Corresponding author) ; Kowalski, P.FZJ* ; Beridze, G. ; Avdeev, M. ; Muransky, O. ; Brand, H. E. A. ; Gu, Q.-F. ; Kennedy, B. J. (Corresponding author)
Controlling Oxygen Defect Formation and Its Effect on Reversible Symmetry Lowering and Disorder-to-Order Phase Transformations in Nonstoichiometric Ternary Uranium Oxides
Inorganic chemistry 58(9), 6143-6154 (2019) [10.1021/acs.inorgchem.9b00406]2019   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ji, Y.FZJ* ; Kowalski, P. (Corresponding author)FZJ* ; Kegler, P.FZJ* ; Huittinen, N. ; Marks, N. A. ; Vinograd, V.FZJ* ; Arinicheva, Y.FZJ* ; Neumeier, S.FZJ* ; Bosbach, D.FZJ*
Rare-Earth Orthophosphates From Atomistic Simulations
Frontiers in Chemistry 7, 197 (2019) [10.3389/fchem.2019.00197]2019   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Wilden, A. (Corresponding author)FZJ*RWTH* ; Kowalski, P. (Corresponding author)FZJ*RWTH* ; Klass, L.FZJ*RWTH* ; Kraus, B.FZJ*RWTH* ; Kreft, F.FZJ*RWTH* ; Modolo, G.FZJ*RWTH* ; Li, Y.FZJ*RWTH* ; Rothe, J. ; Dardenne, K. ; Geist, A. ; Leoncini, A. ; Huskens, J. ; Verboom, W.
Unprecedented Inversion of Selectivity and Extraordinary Difference in the Complexation of Trivalent f-Elements by Diastereomers of a Methylated Diglycolamide
Chemistry - a European journal 25(21), 5507-5513 (2019) [10.1002/chem.201806161]2019   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kvashnina, K. O. (Corresponding author) ; Kowalski, P. M.FZJ* ; Butorin, S. M. ; Leinders, G. ; Pakarinen, J. ; Bès, R. ; Li, H.FZJ* ; Verwerft, M.
Trends in the valence band electronic structures of mixed uranium oxides
Chemical communications 54(70), 9757 - 9760 (2018) [10.1039/C8CC05464A]2018   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Murphy, G. L. ; Wang, C.-H. ; Beridze, G. ; Zhang, Z. ; Kimpton, J. A. ; Avdeev, M. ; Kowalski, P.FZJ* ; Kennedy, B. J. (Corresponding author)
Unexpected Crystallographic Phase Transformation in Nonstoichiometric SrUO 4– x : Reversible Oxygen Defect Ordering and Symmetry Lowering with Increasing Temperature
Inorganic chemistry 57(10), 5948 - 5958 (2018) [10.1021/acs.inorgchem.8b00463]2018   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Huittinen, N. (Corresponding author) ; Scheinost, A. C. ; Ji, Y.FZJ* ; Kowalski, P.FZJ* ; Arinicheva, Y.FZJ* ; Wilden, A.FZJ* ; Neumeier, S.FZJ* ; Stumpf, T.
A Spectroscopic and Computational Study of Cm 3+ Incorporation in Lanthanide Phosphate Rhabdophane (LnPO 4 ·0.67H2O) and Monazite (LnPO4 )
Inorganic chemistry 57(11), 6252–6265 (2018) [10.1021/acs.inorgchem.8b00095]2018   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ji, Y.FZJ* ; Beridze, G.FZJ* ; Bosbach, D.FZJ* ; Kowalski, P. M. (Corresponding author)FZJ*
Heat capacities of xenotime-type ceramics: An accurate ab initio prediction
Journal of nuclear materials 494, 172 - 181 (2017) [10.1016/j.jnucmat.2017.07.026]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Huittinen, N. (Corresponding author) ; Arinicheva, Y.FZJ* ; Kowalski, P.FZJ* ; Vinograd, V.FZJ* ; Neumeier, S.FZJ* ; Bosbach, D.FZJ*
Probing structural homogeneity of La$_{1-x}$Gd$_{x}$PO$_{4}$ monazite-type solid solutions by combined spectroscopic and computational studies
Journal of nuclear materials 486, 148 - 157 (2017) [10.1016/j.jnucmat.2017.01.024]2017   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Finkeldei, S. (Corresponding author)FZJ* ; Kegler, P.FZJ* ; Kowalski, P. (Corresponding author)FZJ* ; Schreinemachers, C.FZJ* ; Brandt, F.FZJ* ; Bukaemskiy, A.FZJ* ; Vinograd, V.FZJ* ; Beridze, G.FZJ* ; Shelyug, A. ; Navrotsky, A. ; Bosbach, D.FZJ*
Composition dependent order-disorder transition in Nd$_{x}$Zr$_{1−x}$O$_{2−0.5x}$ pyrochlores: A combined structural, calorimetric and ab initio modeling study
Acta materialia 125, 166 - 176 (2017) [10.1016/j.actamat.2016.11.059]2017   Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS |