All Stories

  1. Retention of niobium(V) by calcite and carbonated cement paste: quantitative description and impact of isosaccharinic acid and chloride

    Article • Cement and Concrete Research, November 2025, Elsevier

    Dr Xavier Gaona

  2. Sorption of Eu(III) on C–S–H phases in the presence of gluconate: A molecular dynamics study

    Article • Applied Geochemistry, November 2025, Elsevier

    Dr Xavier Gaona

  3. Solubility, Speciation and Thermodynamics of PuCO 3 OH(cr) in Carbonate Containing NaCl Solutions

    Article • Angewandte Chemie, October 2025, Wiley

    Dr Xavier Gaona

  4. The Role of Halides in the Bonding and Electronic Structure of Actinyl(VI) Halides─Energy Match Driven Stability

    Article • Journal of the American Chemical Society, September 2025, American Chemical Society (ACS)

    Dr Xavier Gaona

  5. Uptake of Eu(III) by C-S-H phases in CaCl2 solution in presence of EDTA: A molecular dynamics study

    Article • Computational and Theoretical Chemistry, August 2025, Elsevier

    Dr Xavier Gaona

  6. Ab Initio Speciation of Tc-Gluconate Complexes in Aqueous Systems

    Article • Inorganic Chemistry, March 2025, American Chemical Society (ACS)

    Dr Xavier Gaona

  7. Structural characterization of amorphous hydrous Zr(IV) oxide and the transformation occurring under hydrothermal conditions

    Article • Applied Geochemistry, March 2025, Elsevier

    Dr Xavier Gaona

  8. Thermodynamic description of the Ni(II)-citrate system in alkaline, dilute to concentrated NaCl solutions. Formation of quaternary complexes with Ca

    Article • Applied Geochemistry, February 2025, Elsevier

    Dr Xavier Gaona

  9. Solubility, speciation and thermodynamics of Fe in reducing aqueous KCl solutions

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Dr Xavier Gaona

  10. Uptake of H14CO3−/14CO32− by calcite: impact of ISA and chloride

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Dr Xavier Gaona

  11. Improved Pitzer activity model for Tc(iv) solubility and hydrolysis in the Tc(iv)–Na+–K+–Ca2+–Mg2+–H+–Cl−–OH−–H2O(l) system

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Dr Xavier Gaona

  12. Solubility and thermodynamics of the U(VI)-Na/Mg-NO 3 -H 2 O systems

    Article • January 2025, European Association of Geochemistry

    Dr Xavier Gaona

  13. Solubility and thermodynamics of the Eu(III)-Na/Mg-NO 3 -H 2 O systems

    Article • January 2025, European Association of Geochemistry

    Dr Xavier Gaona

  14. Thermodynamic Reference Database (THEREDA): Updated Pitzer activity model for Tc(IV) solubility and hydrolysis in the Tc(IV)–Na + –K + –Mg ...

    Article • January 2025, European Association of Geochemistry

    Dr Xavier Gaona

  15. Uptake of Eu, Th, U, and Pu by granite and biotite gneiss in Korean fresh groundwater under oxidizing and reducing conditions

    Article • Radiochimica Acta, December 2024, De Gruyter

    Dr Xavier Gaona

  16. Gluconate and formate uptake by hydrated cement phases

    Article • Applied Geochemistry, November 2024, Elsevier

    Dr Xavier Gaona

  17. Cm(III) speciation in the presence of citrate from neutral to hyperalkaline conditions and the effect of calcium

    Article • Chemosphere, September 2024, Elsevier

    Dr Xavier Gaona

  18. Solubility, complexation and thermodynamics of the Tc(IV)–isosaccharinic acid system: Trends in the M(IV) series

    Article • Chemosphere, September 2024, Elsevier

    Dr Xavier Gaona

  19. Thermodynamic description of U(IV) solubility and hydrolysis in chloride systems: Pitzer activity model for the system U4+–Na+–Mg2+–Ca2+–H+–Cl––OH––H2O(l)

    Article • Applied Geochemistry, September 2024, Elsevier

    Dr Xavier Gaona

  20. Uptake of Cm (III) and Eu (III) by C–S–H phases under saline conditions in presence of EDTA: A batch sorption and TRLFS study

    Article • Applied Geochemistry, September 2024, Elsevier

    Dr Xavier Gaona

  21. Degradation of the polyacrylonitrile-based UP2W material under cementitious conditions

    Article • Applied Geochemistry, August 2024, Elsevier

    Dr Xavier Gaona

  22. Uptake of chloride and isosaccharinic acid by cement paste with high slag content (CEM III/C)

    Article • Cement and Concrete Research, June 2024, Elsevier

    Dr Xavier Gaona

  23. Citrate sorption on cement hydrates

    Article • Cement and Concrete Research, April 2024, Elsevier

    Dr Xavier Gaona

  24. Experimental and computational evidence of U(VI)–OH–Si(OH)4 complexes under alkaline conditions: Implications for cement systems

    Article • Chemosphere, February 2024, Elsevier

    Dr Xavier Gaona

  25. Thermodynamics of the Eu(iii)–Mg–SO4–H2O and Eu(iii)–Na–SO4–H2O systems. Part II: spectroscopy experiments, complexation and Pitzer/SIT models

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Dr Xavier Gaona

  26. Thermodynamics of the Eu(iii)–Mg–SO4–H2O and Eu(iii)–Na–SO4–H2O systems. Part I: solubility experiments and the full dissociation Pitzer model

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Dr Xavier Gaona

  27. Solids, colloids, and the hydrolysis of tetravalent uranium in chloride media

    Article • Frontiers in Nuclear Engineering, November 2023, Frontiers

    Dr Xavier Gaona

  28. Editorial: Solubility phenomena in the context of nuclear waste disposal

    Article • Frontiers in Nuclear Engineering, November 2023, Frontiers

    Dr Xavier Gaona

  29. Beryllium solubility and hydrolysis in dilute to concentrated CaCl2 solutions: thermodynamic description in cementitious systems

    Article • Frontiers in Nuclear Engineering, October 2023, Frontiers

    Dr Xavier Gaona

  30. Effect of ISA and chloride on the uptake of niobium (V) by hardened cement paste and C-S-H phases: Quantitative description and mechanistic understanding

    Article • Cement and Concrete Research, October 2023, Elsevier

    Dr Xavier Gaona

  31. Technetium Complexation with Multidentate Carboxylate-Containing Ligands: Trends in Redox and Solubility Phenomena

    Article • Environmental Science & Technology, February 2023, American Chemical Society (ACS)

    Dr Xavier Gaona

  32. Uptake of Ni(II), Eu(III) and Pu(III/IV) by Hardened Cement Paste in the Presence of Proxy Ligands for the Degradation of Polyacrylonitrile

    Article • Frontiers in Nuclear Engineering, February 2023, Frontiers

    Dr Xavier Gaona

  33. Molecular Dynamics Study of the Beryllium Interaction with C-S-H Phases

    Article • The Journal of Physical Chemistry C, January 2023, American Chemical Society (ACS)

    Dr Xavier Gaona

  34. Impact of the degradation leachate of the polyacrylonitrile-based material UP2W on the retention of Ni(ii), Eu(iii) and Pu(iv) by cement

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr Xavier Gaona

  35. Choline chloride–formic acid mixture as a medium for the reduction of pertechnetates – electrochemical and spectroscopic studies

    Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

    Dr Xavier Gaona

  36. Interlink between solubility, structure, surface and thermodynamics in the ThO2(s, hyd)–H2O(l) system

    Article • Frontiers in Chemistry, November 2022, Frontiers

    Dr Xavier Gaona

  37. Uptake of selected organic ligands by hardened cement paste: Studies on proxy ligands for the degradation of polyacrylonitrile and general considerations on the role of different functionalities in the uptake process

    Article • Frontiers in Nuclear Engineering, October 2022, Frontiers

    Dr Xavier Gaona

  38. Solubility of niobium(V) in cementitious systems relevant for nuclear waste disposal: Characterization of the solubility-controlling solid phases

    Article • Journal of Hazardous Materials, October 2022, Elsevier

    Dr Xavier Gaona

  39. Uptake of chloride and iso-saccharinic acid by cement: Sorption and molecular dynamics studies on HCP (CEM I) and C-S-H phases

    Article • Cement and Concrete Research, July 2022, Elsevier

    Dr Xavier Gaona

  40. Crystal Structure and Stability in Aqueous Solutions of Na0.5[NpO2(OH)1.5]·0.5H2O and Na[NpO2(OH)2]

    Article • Journal of the American Chemical Society, May 2022, American Chemical Society (ACS)

    Dr Xavier Gaona

  41. Uptake of niobium by cement systems relevant for nuclear waste disposal: Impact of ISA and chloride

    Article • Cement and Concrete Research, March 2022, Elsevier

    Dr Xavier Gaona

  42. Structural characterisation of hydrolysed Cm(III)-EDTA solution species under alkaline conditions: a TRLFS, vibronic side-band and quantum chemical study

    Article • Molecular Physics, February 2022, Taylor & Francis

    Dr Xavier Gaona

  43. Pu(iii) and Cm(iii) in the presence of EDTA: aqueous speciation, redox behavior, and the impact of Ca(ii)

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr Xavier Gaona

  44. Solubility of Ca(ii), Ni(ii), Nd(iii) and Pu(iv) in the presence of proxy ligands for the degradation of polyacrylonitrile in cementitious systems

    Article • Dalton Transactions, January 2022, Royal Society of Chemistry

    Dr Xavier Gaona

  45. Cement as a component of the multi-barrier system: radionuclide retention in cementitious environments

    Article • Safety of Nuclear Waste Disposal, November 2021, Copernicus GmbH

    Dr Xavier Gaona

  46. Radionuclide geochemistry: solubility and thermodynamics in an HLW repository

    Article • Safety of Nuclear Waste Disposal, November 2021, Copernicus GmbH

    Dr Xavier Gaona

  47. Sorption of beryllium in cementitious systems relevant for nuclear waste disposal: Quantitative description and mechanistic understanding

    Article • Chemosphere, November 2021, Elsevier

    Dr Xavier Gaona

  48. Uptake of Be(II) by Cement in Degradation Stage I: Wet-Chemistry and Molecular Dynamics Studies

    Article • Minerals, October 2021, MDPI AG

    Dr Xavier Gaona

  49. Redox chemistry, solubility and hydrolysis of Re in reducing aquatic systems. Thermodynamic description and comparison with Tc

    Article • Applied Geochemistry, September 2021, Elsevier

    Dr Xavier Gaona

  50. Impact of sulfate on the solubility of Tc(IV) in acidic to hyperalkaline aqueous reducing systems

    Article • Radiochimica Acta, August 2021, De Gruyter

    Dr Xavier Gaona

  51. Impact of Ca(II) on the aqueous speciation, redox behavior, and environmental mobility of Pu(IV) in the presence of EDTA

    Article • The Science of The Total Environment, August 2021, Elsevier

    Dr Xavier Gaona

  52. A Combined Study of Tc Redox Speciation in Complex Aqueous Systems: Wet-Chemistry, Tc K-/L3-Edge X-ray Absorption Fine Structure, and Ab Initio Calculations

    Article • Inorganic Chemistry, July 2021, American Chemical Society (ACS)

    Dr Xavier Gaona

  53. Impact of selected cement additives and model compounds on the solubility of Nd(III), Th(IV) and U(VI): screening experiments in alkaline NaCl, MgCl2 and CaCl2 solutions at elevated ionic strength

    Article • Radiochimica Acta, May 2021, De Gruyter

    Dr Xavier Gaona

  54. Complexation of Nd(III)/Cm(III) with gluconate in alkaline NaCl and CaCl2 solutions: Solubility, TRLFS and DFT studies

    Article • Applied Geochemistry, March 2021, Elsevier

    Dr Xavier Gaona

  55. Plutonium retention in the isosaccharinate – cement system

    Article • Applied Geochemistry, March 2021, Elsevier

    Dr Xavier Gaona, Dr Johannes Lützenkirchen

  56. Recent advances in the aqueous chemistry of the calcium(II)-gluconate system – Equilibria, structure and composition of the complexes forming in neutral and in alkaline solutions

    Article • Coordination Chemistry Reviews, August 2020, Elsevier

    Dr Xavier Gaona

  57. Thermodynamic description of Be(II) solubility and hydrolysis in acidic to hyperalkaline NaCl and KCl solutions

    Article • Applied Geochemistry, June 2020, Elsevier

    Dr Xavier Gaona

  58. Interaction of Np(v) with borate in alkaline, dilute-to-concentrated, NaCl and MgCl2solutions

    Article • Dalton Transactions, January 2020, Royal Society of Chemistry

    Dr Xavier Gaona

  59. Retention and diffusion of radioactive and toxic species on cementitious systems: Main outcome of the CEBAMA project

    Article • Applied Geochemistry, January 2020, Elsevier

    Dr Xavier Gaona

  60. Competitive Reaction of Neptunium(V) and Uranium(VI) in Potassium–Sodium Carbonate-Rich Aqueous Media: Speciation Study with a Focus on High-Resolution X-ray Spectroscopy

    Article • Inorganic Chemistry, December 2019, American Chemical Society (ACS)

    Dr Xavier Gaona

  61. Solubility and stability of liebigite, Ca2UO2(CO3)3·10H2O(cr), in dilute to concentrated NaCl and NaClO4 solutions at T = 22–80 °C

    Article • Applied Geochemistry, December 2019, Elsevier

    Dr Xavier Gaona

  62. Thermodynamic description of U(VI) solubility and hydrolysis in dilute to concentrated NaCl solutions at T = 25, 55 and 80 °C

    Article • Radiochimica Acta, July 2019, De Gruyter

    Dr Xavier Gaona

  63. Plutonium Retention Mechanisms by Magnetite under Anoxic Conditions: Entrapment versus Sorption

    Article • ACS Earth and Space Chemistry, July 2019, American Chemical Society (ACS)

    Dr Xavier Gaona

  64. Solubility of U(VI) in chloride solutions. III. The stable oxides/hydroxides in MgCl2 systems: Pitzer activity model for the system UO22+–Na+–K+–Mg2+–H+–OH−–Cl−–H2O(l)

    Article • The Journal of Chemical Thermodynamics, April 2019, Elsevier

    Dr Xavier Gaona

  65. Fifteen Years of Radionuclide Research at the KIT Synchrotron Source in the Context of the Nuclear Waste Disposal Safety Case

    Article • Geosciences, February 2019, MDPI AG

    Dr Xavier Gaona

  66. Impact of nitrate on the redox chemistry and solubility of Tc(IV) in alkaline, dilute to concentrated aqueous NaCl solutions

    Article • Applied Geochemistry, November 2018, Elsevier

    Dr Xavier Gaona

  67. Redox chemistry of uranium in reducing, dilute to concentrated NaCl solutions

    Article • Applied Geochemistry, November 2018, Elsevier

    Dr Xavier Gaona

  68. Solubility of U(VI) in chloride solutions. II. The stable oxides/hydroxides in alkaline KCl solutions: Thermodynamic description and relevance in cementitious systems

    Article • Applied Geochemistry, November 2018, Elsevier

    Dr Xavier Gaona

  69. Thermodynamic description of the plutonium – α-d-isosaccharinic acid system I: Solubility, complexation and redox behavior

    Article • Applied Geochemistry, November 2018, Elsevier

    Dr Xavier Gaona

  70. Thermodynamic description of the plutonium – α–d–isosaccharinic acid system ii: Formation of quaternary Ca(II)–Pu(IV)–OH–ISA complexes

    Article • Applied Geochemistry, November 2018, Elsevier

    Dr Xavier Gaona

  71. Solubility and hydrolysis of U(VI) in 0.5 mol/kg NaCl solutions at T = 22 and 80 °C

    Article • The Journal of Chemical Thermodynamics, May 2018, Elsevier

    Dr Xavier Gaona

  72. Redox behavior and solubility of plutonium under alkaline, reducing conditions

    Article • Radiochimica Acta, March 2018, De Gruyter

    Dr Xavier Gaona

  73. Corrigendum to “Aqueous-solid solution thermodynamic model of U(VI) uptake in C-S-H phases” [Appl. Geochem. 27 (2012), 81–95]

    Article • Applied Geochemistry, March 2018, Elsevier

    Dr Xavier Gaona

  74. Thermodynamic description of Tc(iv) solubility and carbonate complexation in alkaline NaHCO3–Na2CO3–NaCl systems

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Xavier Gaona

  75. Neptunium(VI) solubility in alkaline CaCl2 solutions: evidence for the formation of calcium neptunates Ca x NpO3+x (s,hyd)

    Article • Monatshefte für Chemie - Chemical Monthly, December 2017, Springer Science + Business Media

    Dr Xavier Gaona

  76. Solubility of U(VI) in chloride solutions. I. The stable oxides/hydroxides in NaCl systems, solubility products, hydrolysis constants and SIT coefficients

    Article • The Journal of Chemical Thermodynamics, November 2017, Elsevier

    Dr Xavier Gaona

  77. Thermodynamic model of Ni(II) solubility, hydrolysis and complex formation with ISA

    Article • Radiochimica Acta, July 2017, De Gruyter

    Dr Xavier Gaona

  78. Solubility and hydrolysis of Np(V) in dilute to concentrated alkaline NaCl solutions: formation of Na–Np(V)–OH solid phases at 22 °C

    Article • Radiochimica Acta, January 2017, De Gruyter

    Dr Xavier Gaona

  79. Formation, stability and structural characterization of ternary MgUO2(CO3)32− and Mg2UO2(CO3)3(aq) complexes

    Article • Radiochimica Acta, January 2017, De Gruyter

    Dr Xavier Gaona

  80. Solubility and hydrolysis of Tc(iv) in dilute to concentrated KCl solutions: an extended thermodynamic model for Tc4+–H+–K+–Na+–Mg2+–Ca2+–OH−–Cl−–H2...

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Dr Xavier Gaona

  81. Thorium(IV) and neptunium(V) uptake from carbonate containing aqueous solutions by HDTMA-modified natural zeolites

    Article • Journal of Radioanalytical and Nuclear Chemistry, November 2016, Springer Science + Business Media

    Dr Xavier Gaona

  82. Np(V) solubility, speciation and solid phase formation in alkaline CaCl2 solutions. Part II: Thermodynamics and implications for source term estimations of nuclear waste disposal

    Article • Radiochimica Acta, January 2016, De Gruyter

    Dr Xavier Gaona, Dr Johannes Lützenkirchen

  83. Thermodynamic description of Tc(iv) solubility and hydrolysis in dilute to concentrated NaCl, MgCl2and CaCl2solutions

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Xavier Gaona

  84. Systematic XAS study on the reduction and uptake of Tc by magnetite and mackinawite

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Xavier Gaona

  85. Rhenium(VII) and technetium(VII) separation from aqueous solutions using a polyethylenimine–epichlorohydrin resin

    Article • Journal of Radioanalytical and Nuclear Chemistry, May 2015, Springer Science + Business Media

    Dr Xavier Gaona

  86. Redox chemistry of Tc(VII)/Tc(IV) in dilute to concentrated NaCl and MgCl2 solutions

    Article • Radiochimica Acta, January 2015, De Gruyter

    Dr Xavier Gaona

  87. Interaction of Nd(iii) and Cm(iii) with borate in dilute to concentrated alkaline NaCl, MgCl2and CaCl2solutions: solubility and TRLFS studies

    Article • New Journal of Chemistry, January 2015, Royal Society of Chemistry

    Dr Xavier Gaona

  88. Solubility and spectroscopic study of AnIII/LnIII in dilute to concentrated Na–Mg–Ca–Cl–NO3 solutions

    Article • Pure and Applied Chemistry, January 2015, De Gruyter

    Dr Xavier Gaona

  89. Influence of the redox state on the neptunium sorption under alkaline conditions: Batch sorption studies on titanium dioxide and calcium silicate hydrates

    Article • Radiochimica Acta, January 2014, De Gruyter

    Dr Xavier Gaona

  90. Redox behavior of Tc(VII)/Tc(IV) under various reducing conditions in 0.1 M NaCl solutions

    Article • Radiochimica Acta, May 2013, De Gruyter

    Dr Xavier Gaona

  91. Thermodynamics of Np(IV) complexes with gluconic acid under alkaline conditions: sorption studies

    Article • Radiochimica Acta, March 2013, De Gruyter

    Dr Xavier Gaona

  92. Recent Advances in Aqueous Actinide Chemistry and Thermodynamics

    Article • Chemical Reviews, February 2013, American Chemical Society (ACS)

    Dr Xavier Gaona

  93. Np(V/VI) redox chemistry in cementitious systems: XAFS investigations on the speciation under anoxic and oxidizing conditions

    Article • Applied Geochemistry, January 2013, Elsevier

    Dr Xavier Gaona

  94. Thermodynamic description of Np(VI) solubility, hydrolysis, and redox behavior in dilute to concentrated alkaline NaCl solutions

    Article • Pure and Applied Chemistry, January 2013, De Gruyter

    Dr Xavier Gaona

  95. Spectroscopic investigations of Np(V/VI) redox speciation in hyperalkaline TMA-(OH, Cl) solutions

    Article • Radiochimica Acta, October 2012, De Gruyter

    Dr Xavier Gaona

  96. Micro- and Macroscopic Investigations of Actinide Binding in Cementitious Materials

    Article • June 2012, Springer Science + Business Media

    Dr Xavier Gaona

  97. Aqueous–solid solution thermodynamic model of U(VI) uptake in C–S–H phases

    Article • Applied Geochemistry, January 2012, Elsevier

    Dr Xavier Gaona

  98. Thermodynamic properties of organic iodine compounds

    Article • Geochimica et Cosmochimica Acta, November 2011, Elsevier

    Dr Xavier Gaona

  99. Uptake of Np(IV) by C–S–H Phases and Cement Paste: An EXAFS Study

    Article • Environmental Science & Technology, October 2011, American Chemical Society (ACS)

    Dr Xavier Gaona

  100. XANES speciation of mercury in three mining districts – Almadén, Asturias (Spain), Idria (Slovenia)

    Article • Journal of Synchrotron Radiation, February 2010, International Union of Crystallography

    Dr Xavier Gaona

  101. Review of the complexation of tetravalent actinides by ISA and gluconate under alkaline to hyperalkaline conditions

    Article • Journal of Contaminant Hydrology, December 2008, Elsevier

    Dr Xavier Gaona

  102. Risk assessment of a landfill for wastes containing naturally occurring radionuclides through infiltration to groundwater

    Article • January 2008, Springer Science + Business Media

    Dr Xavier Gaona

  103. On the Role of H

    Article • January 2007, ASME International

    Dr Xavier Gaona

  104. Microprobe Techniques for Speciation Analysis and Geochemical Characterization of Mine Environments:  The Mercury District of Almadén in Spain

    Article • Environmental Science & Technology, July 2006, American Chemical Society (ACS)

    Dr Xavier Gaona

  105. Determination of mercury in polluted soils surrounding a chlor-alkali plant

    Article • Analytica Chimica Acta, April 2006, Elsevier

    Dr Xavier Gaona

  106. Analysis of sorption and bioavailability of different species of mercury on model soil components using XAS techniques and sensor bacteria

    Article • Fresenius Journal of Analytical Chemistry, June 2005, Springer Science + Business Media

    Dr Xavier Gaona

  107. Characterisation of Almadén mercury mine environment by XAS techniques

    Article • Journal of Environmental Monitoring, January 2005, Royal Society of Chemistry

    Dr Xavier Gaona

  108. Stability study on a Westöö-based methodology to determine organomercury compounds in polluted soil samples

    Article • Analytica Chimica Acta, March 2003, Elsevier

    Dr Xavier Gaona

  109. Clean Ion-Exchange Technologies. 3. Temperature-Enhanced Conversion of Potassium Chloride and Lime Milk into Potassium Hydroxide on a Carboxylic Ion Exchanger

    Article • Industrial & Engineering Chemistry Research, November 1999, American Chemical Society (ACS)

    Dr Xavier Gaona