Department of Earth Sciences, University of Bristol
Aqueous and Environmental Geochemistry
Prof. D. M. Sherman


Recent Publications

  • Sherman, D.M. (2013) Equilibrium isotopic fractionation of copper during oxidation/reduction, aqueous complexation and ore-forming processes: Predictions from hybrid density functional theory Geochimica et Cosmochimica Acta 118, p. 85-97

  • Mei, Y., Sherman, D. M., Liu, W. & Brugger, J.(2013) Complexation of gold in S-3(-)-rich hydrothermal fluids: Evidence from ab-initio molecular dynamics simulations. Chemical Geology 347, p. 34-42.

  • Mei, Y., Sherman, D. M., Liu, W. & Brugger, J. (2013) Ab initio molecular dynamics simulation and free energy exploration of copper(I) complexation by chloride and bisulfide in hydrothermal fluids. Geochimica et Cosmochimica Acta 102, p. 45-64.

  • Tian, Y., Etschmann, B., Liu, W., Borg, S., Mei, Y., Testemale, D., Sherman, D. M. & Brugger, J. (2012) Speciation of nickel (II) chloride complexes in hydrothermal fluids: In situ XAS study. Chemical Geology 334, p. 345-363

  • Sherman, D.M. and C.L. Peacock (2010) Surface Complexation of Cu on Birnessite (δ-MnO2): Controls on Cu in the Deep Ocean. Geochimica et Cosmochimica Acta 74, pp. 6721-6730. (view article).

  • Sherman, D.M. (2010) Metal complexation and ion association in hydrothermal fluids: insights from quantum chemistry and molecular dynamics. Geofluids, 10, 41-57. (view article)

  • Sherman, D.M. (2009) Surface complexation modelling: mineral-fluid equilibria at the molecular scale. Reviews in Mineralogy and Geochemistry, 70, 181-205. (view article)

  • Sherman, D.M. (2009) Electronic structures of siderite (FeCO3) and rhodocrosite (MnCO3): oxygen K-edge spectroscopy and hybrid density functional theory. American Mineralogist, 94, 166-171.

  • Jonsson J. and Sherman D.M. (2008) Sorption of As(III) and As(V) to siderite, green rust (fougerite) and magnetite: implications of arsenic release in anoxic groundwaters. Chemical Geology , 255, 173-181. (view article)

  • Sherman D.M., Peacock C.L., and C.G. Hubbard (2008) Surface complexation of U(VI) on goethite (α-FeOOH). Geochimica et Cosmochimica Acta 72, 298-310. (view article)

  • Peacock C.L. and Sherman D.M. (2007) Crystal chemistry of Ni in marine ferromanganese crusts and nodules. American Mineralogist 92,1087-1092. (view article)

  • Peacock C.L. and Sherman D.M. (2007) Sorption of Ni by birnessite: Equilibrium controls on Ni in seawater. Chemical Geology 238, 94-106.(view article)

  • Sherman D.M. (2007) Complexation of Cu+ in hydrothermal NaCl brines: Ab initio molecular dynamics and energetics. Geochimica et Cosmochimica Acta, 71: 714-722. (view article)

  • Peacock, Cl, and Sherman D.M. (2005) Surface complexation model for multisite adsorption of Cu(II) onto kaolinite. Geochimica et Cosmochmica Acta . 69, 3733-3745. (view article)

  • Sherman, D.M. (2005) Electronic structures of iron(III) and manganese(IV) (hydr)oxides: Thermodynamics of photochemical reductive dissolution in aquatic environments. Geochimica et Cosmochimica Acta, 69, 3249-3255. (view article)

  • Peacock, Cl, and Sherman D.M. (2004) Vanadium(V) adsorption onto goethite (α-FeOOH) at pH 1.5 to 12: A surface complexation model based on ab initio molecular geometries and EXAFS spectroscopy. Geochimica et Cosmochimica Acta, 68, 1723-1733. (view article)

  • Peacock, Cl, and Sherman D.M. (2004) Copper(II) sorption onto goethite, hematite and lepidocrocite: A surface complexation model base on ab initio molecular geometries and EXAFS spectroscopy. Geochimica et Cosmochimica Acta , 68, 2623-2637. (view article)

  • Todd, E.H., Sherman, D. M. and Purton J.D. (2003) Surface oxidation of chalcopyrite (CuFeS2) under ambient atmospheric and aqueous (pH 2-10) conditions: Cu, Fe L-edge and Oxygen K-edge x-ray spectroscopy. Geochimica et Cosmochimica Acta, 67, 2137-2146. (view article)

  • Todd E.C., and Sherman, D. M. (2003) Surface oxidation of chalcocite (Cu2S) under aqueous (pH=2-10) and ambient atmospheric conditions: mineralogy Cu L- and O K-edge X-ray absorption spectroscopy. American Mineralogist, 88, 1652-1656.

  • Sherman, D.M. and Randall, S.R. (2003) Surface complexation of arsenic(V) to iron (III) oxides and oxide hydroxides: structural mechanism from ab initio molecular geometries and EXAFS spectroscopy. Geochimica et Cosmochimica Acta , 67, 4223-4230. (view article)

  • Harris, D.J., Brodholt J.P., and Sherman, D.M. (2003) Zinc complexation in hydrothermal chloride brines: results from ab initio molecular dynamics calculations. Journal of Physical Chemistry A, 107, 1050-1054.(view article)

  • Harris, D.J., Brodholt J.P. and D.M. Sherman (2003) Strontium hydration in hydrothermal solutions: ab initio molecular dynamics simulations. Journal of Physical Chemistry B .107, 9056-9058. (view article)

  • Todd, E.C., Sherman, D.M. and J.D. Purton (2003) Surface oxidation of pyrite: mineralogy and electronic structure from x-ray absorption spectroscopy. Geochimica et Cosmochimica Acta, 67, 881-893. (view article)

  • Heasman, D.M., Sherman, D.M., and K.V. Ragnarsdottir (2003) The reduction of aqueous Au3+ by sulfide minerals and green rust phases. American Mineralogist, 88, 725-729.

  • Sherman, D.M. and Collings M.D. (2002) Ion association in concentrated NaCl brines under ambient to supercritical conditions: results from classical molecular dynamics simulations. Geochemical Transactions, 3, 102-107.(view article)

  • Sherman, D.M. (2001) Quantum chemistry and classical simulations of metal complexes in aqueous solutions. Reviews in Mineralogy and Geochemistry, 42, 273-318.

  • Harris, D.J., Brodholt, J.P., Harding, and Sherman, D.M. (2001) Molecular dynamics simulation of aqueous ZnCl2 solutions. Molecular Physics, 99, 825-833.

Ni on MnO2



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