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Blanchard, Marc, Morin, Guillaume, Lazzeri, Michele, Balan, Etienne, Dabo, Ismaïla (2012) First-principles simulation of arsenate adsorption on the (11¯2) surface of hematite. Geochimica et Cosmochimica Acta, 86. 182-195 doi:10.1016/j.gca.2012.03.013

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Reference TypeJournal (article/letter/editorial)
TitleFirst-principles simulation of arsenate adsorption on the (11¯2) surface of hematite
JournalGeochimica et Cosmochimica Acta
AuthorsBlanchard, MarcAuthor
Morin, GuillaumeAuthor
Lazzeri, MicheleAuthor
Balan, EtienneAuthor
Dabo, IsmaïlaAuthor
Year2012 (June)Volume86
PublisherElsevier BV
DOIdoi:10.1016/j.gca.2012.03.013Search in ResearchGate
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Mindat Ref. ID354811Long-form Identifiermindat:1:5:354811:4
GUID0
Full ReferenceBlanchard, Marc, Morin, Guillaume, Lazzeri, Michele, Balan, Etienne, Dabo, Ismaïla (2012) First-principles simulation of arsenate adsorption on the (11¯2) surface of hematite. Geochimica et Cosmochimica Acta, 86. 182-195 doi:10.1016/j.gca.2012.03.013
Plain TextBlanchard, Marc, Morin, Guillaume, Lazzeri, Michele, Balan, Etienne, Dabo, Ismaïla (2012) First-principles simulation of arsenate adsorption on the (11¯2) surface of hematite. Geochimica et Cosmochimica Acta, 86. 182-195 doi:10.1016/j.gca.2012.03.013
In(2012) Geochimica et Cosmochimica Acta Vol. 86. Elsevier BV

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Blanchard, Marc, Morin, Guillaume, Lazzeri, Michele, Balan, Etienne (2010) First-principles study of the structural and isotopic properties of Al- and OH-bearing hematite. Geochimica et Cosmochimica Acta, 74 (14) 3948-3962 doi:10.1016/j.gca.2010.04.018
Crépisson, Céline, Blanchard, Marc, Lazzeri, Michele, Balan, Etienne, Sanloup, Chrystèle (2018) New constraints on Xe incorporation mechanisms in olivine from first-principles calculations. Geochimica et Cosmochimica Acta, 222. 146-155 doi:10.1016/j.gca.2017.10.028
Blanchard, Marc, Poitrasson, Franck, Méheut, Merlin, Lazzeri, Michele, Mauri, Francesco, Balan, Etienne (2009) Iron isotope fractionation between pyrite (FeS2), hematite (Fe2O3) and siderite (FeCO3): A first-principles density functional theory study. Geochimica et Cosmochimica Acta, 73 (21) 6565-6578 doi:10.1016/j.gca.2009.07.034
Méheut, Merlin, Lazzeri, Michele, Balan, Etienne, Mauri, Francesco (2010) First-principles calculation of H/D isotopic fractionation between hydrous minerals and water. Geochimica et Cosmochimica Acta, 74 (14) 3874-3882 doi:10.1016/j.gca.2010.04.020
Méheut, Merlin, Lazzeri, Michele, Balan, Etienne, Mauri, Francesco (2007) Equilibrium isotopic fractionation in the kaolinite, quartz, water system: Prediction from first-principles density-functional theory. Geochimica et Cosmochimica Acta, 71 (13) 3170-3181 doi:10.1016/j.gca.2007.04.012
Balan, Etienne, Pietrucci, Fabio, Gervais, Christel, Blanchard, Marc, Schott, Jacques, Gaillardet, Jérome (2016) First-principles study of boron speciation in calcite and aragonite. Geochimica et Cosmochimica Acta, 193. 119-131 doi:10.1016/j.gca.2016.07.026
Blanchard, Marc, Poitrasson, Franck, Méheut, Merlin, Lazzeri, Michele, Mauri, Francesco, Balan, Etienne (2012) Comment on “New data on equilibrium iron isotope fractionation among sulfides: Constraints on mechanisms of sulfide formation in hydrothermal and igneous systems” by V.B. Polyakov and D.M. Soultanov. Geochimica et Cosmochimica Acta, 87. 356-359 doi:10.1016/j.gca.2012.01.048
Balan, Etienne, Lazzeri, Michele, Morin, Guillaume, Mauri, Francesco (2006) First-principles study of the OH-stretching modes of gibbsite. American Mineralogist, 91 (1) 115-119 doi:10.2138/am.2006.1922
Pinilla, Carlos, Blanchard, Marc, Balan, Etienne, Ferlat, Guillaume, Vuilleumier, Rodolphe, Mauri, Francesco (2014) Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics. Geochimica et Cosmochimica Acta, 135. 203-216 doi:10.1016/j.gca.2014.03.027
Balan, Etienne, Blanchard, Marc, Pinilla, Carlos, Lazzeri, Michele (2014) First-principles modeling of sulfate incorporation and 34S/32S isotopic fractionation in different calcium carbonates. Chemical Geology, 374. 84-91 doi:10.1016/j.chemgeo.2014.03.004
Javoy, Marc, Balan, Etienne, Méheut, Merlin, Blanchard, Marc, Lazzeri, Michele (2012) First-principles investigation of equilibrium isotopic fractionation of O- and Si-isotopes between refractory solids and gases in the solar nebula. Earth and Planetary Science Letters, 319. 118-127 doi:10.1016/j.epsl.2011.12.029
 
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