Modelling the adsorption of uranyl on the surface of goethite

HM Steele, K Wright, IH Hillier

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

Atomistic simulations have been carried out to study the adsorption of the hydrated uranyl ion on a variety of faces of goethite (alpha-FeOOH). The relative stabilities of these faces have been assessed by calculation of the corresponding surface energies. We find that adsorption onto dry stable surfaces yields structures of variance with extended X-ray absorption fine structure data, whilst adsorption onto hydrated (110) and (001) surfaces yields structures compatible with these data. Copyright (C) 2002 Elsevier Science Ltd.

Original languageEnglish
Pages (from-to)1305-1310
Number of pages6
JournalGeochimica et Cosmochimica Acta
Volume66
Issue number8
DOIs
Publication statusPublished - Apr 2002
Externally publishedYes

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