@article{gao:hal-05632826,
  TITLE = {{Unveiling U(VI)-carbonate surface complexes on montmorillonite: insights from a first-principles molecular dynamics based surface complexation modeling}},
  AUTHOR = {Gao, Pengyuan and Liu, Xiandong and Lu, Xiancai and Tournassat, Christophe},
  URL = {https://hal.science/hal-05632826},
  JOURNAL = {{Geochimica et Cosmochimica Acta}},
  PUBLISHER = {{Elsevier}},
  YEAR = {2026},
  MONTH = May,
  DOI = {10.1016/j.gca.2026.05.020},
  KEYWORDS = {U(VI) ; Montmorilonite ; Uranyl-carbonate surface complexes ; Adsorption ; First-principles molecular dynamics ; Multiscale surface complexation modeling},
  PDF = {https://hal.science/hal-05632826v1/file/1-s2.0-S0016703726003182-main.pdf},
  HAL_ID = {hal-05632826},
  HAL_VERSION = {v1},
}