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Rustad, James R., Felmy, Andrew R. (2005) The influence of edge sites on the development of surface charge on goethite nanoparticles: A molecular dynamics investigation. Geochimica et Cosmochimica Acta, 69 (6) 1405-1411 doi:10.1016/j.gca.2004.08.030

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Reference TypeJournal (article/letter/editorial)
TitleThe influence of edge sites on the development of surface charge on goethite nanoparticles: A molecular dynamics investigation
JournalGeochimica et Cosmochimica Acta
AuthorsRustad, James R.Author
Felmy, Andrew R.Author
Year2005 (March)Volume69
Issue6
PublisherElsevier BV
DOIdoi:10.1016/j.gca.2004.08.030Search in ResearchGate
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Mindat Ref. ID350025Long-form Identifiermindat:1:5:350025:9
GUID0
Full ReferenceRustad, James R., Felmy, Andrew R. (2005) The influence of edge sites on the development of surface charge on goethite nanoparticles: A molecular dynamics investigation. Geochimica et Cosmochimica Acta, 69 (6) 1405-1411 doi:10.1016/j.gca.2004.08.030
Plain TextRustad, James R., Felmy, Andrew R. (2005) The influence of edge sites on the development of surface charge on goethite nanoparticles: A molecular dynamics investigation. Geochimica et Cosmochimica Acta, 69 (6) 1405-1411 doi:10.1016/j.gca.2004.08.030
In(2005, March) Geochimica et Cosmochimica Acta Vol. 69 (6) Elsevier BV

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Felmy, Andrew R, Rustad, James R (1998) Molecular Statics Calculations of Proton Binding to Goethite Surfaces: Thermodynamic Modeling of the Surface Charging and Protonation of Goethite in Aqueous Solution. Geochimica et Cosmochimica Acta, 62 (1) 25-31 doi:10.1016/s0016-7037(97)00325-6
Rustad, James R. (2005) Molecular dynamics simulation of the titration of polyoxocations in aqueous solution. Geochimica et Cosmochimica Acta, 69 (18) 4397-4410 doi:10.1016/j.gca.2005.05.007
Boily, Jean-François, Felmy, Andrew R. (2008) On the protonation of oxo- and hydroxo-groups of the goethite (α-FeOOH) surface: A FTIR spectroscopic investigation of surface O–H stretching vibrations. Geochimica et Cosmochimica Acta, 72 (14) 3338-3357 doi:10.1016/j.gca.2008.04.022
Rustad, James R., Felmy, Andrew R., Bylaska, Eric J. (2003) Molecular simulation of the magnetite-water interface. Geochimica et Cosmochimica Acta, 67 (5) 1001-1016 doi:10.1016/s0016-7037(02)00900-6
Rustad, James R., Felmy, Andrew R., Hay, Benjamin P. (1996) Molecular statics calculations of proton binding to goethite surfaces: A new approach to estimation of stability constants for multisite surface complexation models. Geochimica et Cosmochimica Acta, 60 (9) 1563-1576 doi:10.1016/0016-7037(96)00035-x
Boily, Jean-François, Szanyi, János, Felmy, Andrew R. (2006) A combined FTIR and TPD study on the bulk and surface dehydroxylation and decarbonation of synthetic goethite. Geochimica et Cosmochimica Acta, 70 (14) 3613-3624 doi:10.1016/j.gca.2006.05.013
Bargar, John R., Kubicki, James D., Reitmeyer, Rebecca, Davis, James A. (2005) ATR-FTIR spectroscopic characterization of coexisting carbonate surface complexes on hematite. Geochimica et Cosmochimica Acta, 69 (6) 1527-1542 doi:10.1016/j.gca.2004.08.002
Rustad, James R., Felmy, Andrew R., Hay, Benjamin P. (1996) Molecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface. Geochimica et Cosmochimica Acta, 60 (9) 1553-1562 doi:10.1016/0016-7037(96)00046-4
Rustad, James R., Casey, William H., Yin, Qing-Zhu, Bylaska, Eric J., Felmy, Andrew R., Bogatko, Stuart A., Jackson, Virgil E., Dixon, David A. (2010) Isotopic fractionation of Mg2+(aq), Ca2+(aq), and Fe2+(aq) with carbonate minerals. Geochimica et Cosmochimica Acta, 74 (22) 6301-6323 doi:10.1016/j.gca.2010.08.018
Persson, Per, Axe, Kristina (2005) Adsorption of oxalate and malonate at the water-goethite interface: Molecular surface speciation from IR spectroscopy. Geochimica et Cosmochimica Acta, 69 (3) 541-552 doi:10.1016/j.gca.2004.07.009
Kerisit, Sebastien, Weare, John H., Felmy, Andrew R. (2012) Structure and dynamics of forsterite–scCO2/H2O interfaces as a function of water content. Geochimica et Cosmochimica Acta, 84. 137-151 doi:10.1016/j.gca.2012.01.038
 
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