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Subtopic 1.1: Nuclear Waste Disposal

M. Bader, A. Rossberg, R. Steudtner, B. Drobot, K. Großmann, et al., Impact of Haloarchaea on Speciation of Uranium - A Multispectroscopic Approach,Environ. Sci. Technol. 52, 12895 (2018) doi:10.1021/acs.est.8b02667

C. Fischer, A. Lüttge, Pulsating dissolution of crystalline matter, PNAS 115, 897 (2018) doi:10.1073/pnas.1711254115

X.F. Guo, […], S.Labs, […],H. Curtius, D.Bosbach, […], A. Navrotsky, Thermodynamics of formation of coffinite, USiO4, Proc. Natl. Acad. Sci. U.S.A 112(21), 6551 (2015) doi:10.1073/pnas.1507441112

F. Heberling, D. Bosbach, J.D. Eckhardt, U. Fischer, J. Glowacky, et al., Reactivity of the calcite-water-interface, from molecular scale processes to geochemical engineering, Appl. Geochem. 45, 158 (2014) doi:10.1016/j.apgeochem.2014.03.006

F. Heberling,V.L. Vinograd, R. Polly, J.D. Gale, S. Heck, et al., A thermodynamic adsorption/entrapment model for selenium(IV) coprecipitation with calcite, Geochim. Cosmochim. Ac. 134, 16 (2014) doi:10.1016/j.gca.2014.02.044

A. Iraola, P. Trinchero, P., Voutilainen, M. […], D. Bosbach, G. Deissmann, Microtomography-based Inter-Granular Network for the simulation of radionuclide diffusion and sorption in a granitic rock, J. Contam. Hydrol. 207, 8 (2017) https://doi.org/10.1016/j.jconhyd.2017.10.003

T. Kupcik, T. Rabung, J. Lützenkirchen, N. Finck, H. Geckeis, et al., Macroscopic and spectroscopic investigations on Eu(III) and Cm(III) sorption onto bayerite (β-Al(OH)3) and corundum (α-Al2O3), J. Colloid Interf. Sci. 461, 215 (2015) doi:10.1016/j.jcis.2015.09.020

Z. Nie, N. Finck, F. Heberling, T. Prüssmann, C. Liu, et al., Adsorption of selenium and strontium on goethite: EXAFS study and surface complexation modeling of the ternary systems, Environ. Sci. Technol. 51, 3751 (2017) doi:10.1021/acs.est.6b06104

R. Marsac, N.L. Banik, J. Lützenkirchen, C.M. Marquardt, et al., Neptunium redox speciation at the illite surface, Geochim. Cosmochim. Ac. 152, 39 (2015) doi:10.1016/j.gca.2014.12.021

S. Sachs, G. Geipel, F. Bok, J. Oertel, J.K. Fahmy, Calorimetrically determined U(VI) toxicity in Brassica napus correlates with oxidoreductase activity and U(VI) speciation, Environ. Sci. Technol. 51, 10843 (2017) doi:10.1021/acs.est.7b02564

T. Philipp, S. Shams Aldin Azzam, A. Rossberg, N. Huittinen, K. Schmeide, et al., U(VI) sorption on Ca-bentonite at (hyper) alkaline conditions – Spectroscopic investigations of retention mechanisms, Sci. Total Environ. 676, 469 (2019) doi:10.1016/j.scitotenv.2019.04.274

I. Pidchenko, K.O. Kvashnina,T. Yokosawa, N. Finck, S. Bahl, et al., Uranium redox transformations after U(VI) coprecipitation with magnetite nanoparticles, Environ. Sci. Technol. 51, 2217 (2017) doi:10.1021/acs.est.6b04035

A. Schnurr, R. Marsac, T. Rabung, J. Lützenkirchen, et al., Sorption of Cm(III) and Eu(III) onto clay minerals under saline conditions: Batch adsorption, laser-fluorescence spectroscopy and modeling, Geochim. Cosmochim. Ac. 151, 192 (2015) doi:10.1016/j.gca.2014.11.011

V.L. Vinograd, […] F. Brandt, M. Klinkenberg, J. Weber,[…], D. Bosbach, Thermodynamics of the solid solution - Aqueous solution system (Ba, Sr, Ra) SO4 + H2O: I. The effect of strontium content on radium uptake by barite, Appl. Geochem. 89, 59 (2018) https://doi.org10.1016/j.apgeochem.2017.11.009

J. Weber, J. Barthel, F. Brandt,M.Klinkenberg,[…], D. Bosbach et al., Nano-structural features of barite crystals observed by electron microscopy and atom probe tomography, Chem. Geol. 424, 51 (2016) https://doi.org/10.1016/j.chemgeo.2016.01.018

Subtopic 1.2: Predisposal

S. Bahl, S. Peuget, I. Pidchenko,T. Prüssmann, J. Rothe, et al., Pu Coexists in Three Oxidation States in a Borosilicate Glass: Implications for Pu Solubility, Inorg. Chem. 56, 13982 (2017) doi:10.1021/acs.inorgchem.7b02118

M. Carrott, […] A. Geist, G. Modolo, A. Wilden, R; Taylor, Development of a new flowsheet for coseparating the transuranic actinides: The "EURO-GANEX" process, Solvent Extr. Ion Exch., 32(5), 447 (2014), https://doi/10.1080/07366299.2014.896580.

N. Daniels, A. Bukaemskiy, E. Petrova, M. Klinkenberg, G. Deissmann, et al., Assessment of the release behaviour of 14C from irradiated nuclear graphite from a German research reactor. J. Radioanal. Nucl. Chem. 318, 2291 (2018) https://doi.org/10.1007/s10967-018-6213-6

K. Dardenne, E. González-Robles, J. Rothe, N. Müller, G. Christill, et al., XAS and XRF investigation of an actual HAWC glass fragment obtained from the Karlsruhe vitrification plant (VEK), J. Nuc. Mat. 460, 209 (2015) doi:10.1016/j.jnucmat.2015.02.021

E. González-Robles, V. Metz, D.H. Wegen, M. Herm, D. Papaioannou, Determination of fission gas release of spent nuclear fuel in puncturing test and in leaching experiments under anoxic conditions, J. Nuc. Mat. 479, 67 (2016) doi:10.1016/j.jnucmat.2016.06.035

M. Herm, E. González-Robles, N. Müller, R. Dagan, V. Metz, Comparison of calculated and measured radionuclide inventory of a Zircaloy-4 cladding tube plenum section, MRS Adv. 3, 1037 (2018) doi:10.1557/adv.2018.274

T. Kurtukian-Nieto, J. Benlliure, K.-H. Schmidt, L. Audouin, F. Becker, et al., Production cross sections of heavy neutron-rich nuclei approaching the nucleosynthesis r-process path around A = 195, Phys. Rev. C 89, 024616 (2014) doi:10.1103/PhysRevC.89.024616

E. Mauerhofer, A. Havenith, The MEDINA facility for the assay of the chemotoxic inventory of radioactive waste packages, J. Radional. Nucl. Chem. 302(1), 483 (2014) https://doi/10.1007/s10967-014-3210-2.

S. Neumeier, R. Middendorp, […], M. Klinkenberg, […], I. Niemeyer, D. Bosbach, Microparticle production as reference materials for particle analysis methods in safeguards. MRS Adv. 3(19) 1005 (2018) doi: 10.1557/adv.2018.166.

J. Shamblin, […], S. Finkeldei, D. Bosbach, H.D. Zhou, R.C. Ewing, et al., Probing disorder in isometric pyrochlore and related complex oxides. Nat. Mater. 15(5), 507 (2016) https://doi/10.1038/nmat4581.

M. Steinbrück, High-temperature reaction of oxygen-stabilized α-Zr(O) with nitrogen, J. Nuc. Mat. 447, 46 (2014) doi:10.1016/j.jnucmat.2013.12.024

M. Steinbrück, F.O. da Silva, M. Grosse, Oxidation of Zircaloy-4 in steam-nitrogen mixtures at 600–1200°C, J. Nuc. Mat. 490, 226 (2017) doi.:10.1016/j.jnucmat.2017.04.034

M. Steinbrück, S. Schaffer, High-Temperature Oxidation of Zircaloy-4 in Oxygen-Nitrogen Mixtures, Oxid. Met. 85, 245 (2016) doi:10.1007/s11085-015-9572-1

J. Stuckert, Z. Hózer, A. Kiselev, M. Steinbrück, Cladding oxidation during air ingress. Part I: Experiments on air ingress, Ann. Nucl. Energy 93, 4 (2016) doi:10.1016/j.anucene.2015.12.034

A. Wilden, G. Modolo, P. Kaufholz, […] A. Geist, D. Bosbach, Laboratory scale counter-current centrifugal contactor demonstration of an Innovative-SANEX process using a water soluble BTP, Solvent Extr. Ion Exch. 33(2), 91 (2014) https://doi.org/10.1080/07366299.2014.952532.

Subtopic 1.3: Fundamental Scientific Aspects

C. Adam, B.B. Beele, A. Geist, U. Müllich, P. Kaden, et al., NMR and TRLFS Studies of Ln(III) and Am(III) C5-BPP Complexes, Chem. Sci. 6, 1548 (2015) doi:10.1039/c4sc03103b

N. Banik, V. Vallet, F. Réal, R.M. Belmecheri, B. Schimmelpfennig, et al., First structural characterization of Pa(IV) in aqueous solution and quantum chemical investigations of the tetravalent actinides up to Bk(IV): the evidence of a curium break, Dalton Trans. 45, 453 (2016) doi/10.1039/C5DT03560K

G. Beridze, A. Birnie, S.Koniski, Y. Ji, P.M.Kowalski, DFT plus U as a reliable method for efficient ab initio calculations of nuclear materials, Prog. Nucl. Energ. 92, 142 (2016) https://doi/10.1016/j.pnucene.2016.07.012.

G. Beridze, P.M. Kowalski, Benchmarking the DFT plus U Method for Thermochemical Calculations of Uranium Molecular Compounds and Solids, J. Phys. Chem. A, 118(50), 11797 (2014) https://doi/10.1021/jp5101126.

B. Drobot, R. Steudtner, J. Raff, G. Geipel, V. Brendler, et al., Combining Luminescence Spectroscopy, Parallel Factor Analysis and Quantum Chemistry to Reveal Metal Speciation - a Case Study of Uranyl (VI) Hydrolysis, Chem. Sci. 6, 964 (2015) doi:10.1039/C4SC02022G

L. Götzke, G. Schaper, J. März, P. Kaden, N. Huittinen, T. Stumpf, et. al, Coordination chemistry of f-block metal ions with ligands bearing bio-relevant functional groups, Coord. Chem. Rev. 386, 267 (2019) doi:10.1016/j.ccr.2019.01.006

N. Huittinen, A.C. Scheinost,Y. Ji, P.M. Kowalski, […] T. Stumpf., A spectroscopic and computational study of Cm3+ incorporation in lanthanide phosphate rhabdophane (LnPO4×0.67H2O) and monazite (LnPO4), Inorg. Chem. 57, 6252 (2018) doi:10.1021/acs.inorgchem.8b00095

Y. Li, P.M.Kowalski, G.Beridze, S. Finkeldei, D.Bosbach, Defect formation energies in A2B2O7 pyrochlores, Scripta Mater. 107, 18 (2015) https://doi/10.1016/j.scriptamat.2015.05.010.

N.P. Martin, C. Volkringer, P. Roussel, J. März, C. Hennig, et al., {Np38} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides, Chem. Commun. 54, 10060 (2018) doi:10.1039/C8CC03744B

S. Schöne, T. Radoske, J. März, T. Stumpf, M. Patzschke, et al., UO2Cl2(phen)2 , a Simple Uranium(VI) Compound with a Significantly Bent Uranyl Unit (phen=1,10-phenanthroline), Chem. Eur. J. 23, 13574 (2017) doi:10.1002/chem.201703009

M. Stoll, F.M. Huber, G.K. Darbha, E. Schill, T. Schäfer, Impact of gravity, colloid size and surface roughness on colloid retention kinetics in an artificial fracture, J. Colloid Interf. Sci. 475, 171 (2016) doi:10.1016/j.jcis.2016.04.045

T. Vitova, I. Pidchenko, D. Fellhauer, P. Bagus, Y. Joly, et al., The role of the 5f valence orbitals of early actinides in chemical bonding, Nat. Commun. 8, 16053 (2017) doi:10.1038/ncomms16053

A. Wilden, G. Modolo, S. Lange,B.B. Beele, A. Skerencak-Frech, et al., Modified Diglycolamides for the An(III) + Ln(III) co-separation: Evaluation by Solvent Extraction and Time-Resolved Laser Fluorescence Spectroscopy, Solv. Extract. Ion Exch. 32, 119 (2014) doi:10.1080/07366299.2013.833791

B. Xiao, E. Langer, […] H. Schlenz, D. Bosbach, […], E.V. Alekseev, Chemical and Structural Evolution in the Th-SeO32-/SeO42- System: from Simple Selenites to Cluster-Based Selenate Compounds, Inorg. Chem. 54(6), 3022 (2015) https://doi/0.1021/acs.inorgchem.5b00133.

B. Xiao, H. Lösch, N. Huittinen,  M. Schmidt, Local structural effects of Eu3+ incorporation into xenotime-type solid solutions with different host cations, Chem. Eur. J. 24, 13368 (2018) doi:10.1002/chem.201802841