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Alexandrov, Vitaly, Rosso, Kevin M. (2015) Ab initio modeling of Fe(ii) adsorption and interfacial electron transfer at goethite (α-FeOOH) surfaces. Physical Chemistry Chemical Physics, 17 (22). 14518-14531 doi:10.1039/c5cp00921a

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Reference TypeJournal (article/letter/editorial)
TitleAb initio modeling of Fe(ii) adsorption and interfacial electron transfer at goethite (α-FeOOH) surfaces
JournalPhysical Chemistry Chemical Physics
AuthorsAlexandrov, VitalyAuthor
Rosso, Kevin M.Author
Year2015Volume17
Issue22
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c5cp00921aSearch in ResearchGate
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Mindat Ref. ID4022829Long-form Identifiermindat:1:5:4022829:9
GUID0
Full ReferenceAlexandrov, Vitaly, Rosso, Kevin M. (2015) Ab initio modeling of Fe(ii) adsorption and interfacial electron transfer at goethite (α-FeOOH) surfaces. Physical Chemistry Chemical Physics, 17 (22). 14518-14531 doi:10.1039/c5cp00921a
Plain TextAlexandrov, Vitaly, Rosso, Kevin M. (2015) Ab initio modeling of Fe(ii) adsorption and interfacial electron transfer at goethite (α-FeOOH) surfaces. Physical Chemistry Chemical Physics, 17 (22). 14518-14531 doi:10.1039/c5cp00921a
In(2015) Physical Chemistry Chemical Physics Vol. 17 (22) Royal Society of Chemistry (RSC)

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Klyukin, Konstantin, Rosso, Kevin M., Alexandrov, Vitaly (2018) Iron Dissolution from Goethite (α-FeOOH) Surfaces in Water by Ab Initio Enhanced Free-Energy Simulations. The Journal of Physical Chemistry C, 122 (28). 16086-16091 doi:10.1021/acs.jpcc.8b03743
Zarzycki, Piotr, Kerisit, Sebastien, Rosso, Kevin M. (2015) Molecular Dynamics Study of Fe(II) Adsorption, Electron Exchange, and Mobility at Goethite (α-FeOOH) Surfaces. The Journal of Physical Chemistry C, 119 (6). 3111-3123 doi:10.1021/jp511086r
Alexandrov, Vitaly, Rosso, Kevin M. (2013) Insights into the Mechanism of Fe(II) Adsorption and Oxidation at Fe–Clay Mineral Surfaces from First-Principles Calculations. The Journal of Physical Chemistry C, 117 (44). 22880-22886 doi:10.1021/jp4073125
Alexandrov, Vitaly, Sushko, Maria L., Schreiber, Daniel K., Bruemmer, Stephen M., Rosso, Kevin M. (2015) Ab Initio Modeling of Bulk and Intragranular Diffusion in Ni Alloys. The Journal of Physical Chemistry Letters, 6 (9). 1618-1623 doi:10.1021/acs.jpclett.5b00177
Zarzycki, Piotr, Rosso, Kevin M. (2018) Surface Charge Effects on Fe(II) Sorption and Oxidation at (110) Goethite Surfaces. The Journal of Physical Chemistry C, 122 (18). 10059-10066 doi:10.1021/acs.jpcc.8b02099
Alexandrov, Vitaly, Rosso, Kevin M. (2014) Electron transport in pure and substituted iron oxyhydroxides by small-polaron migration. The Journal of Chemical Physics, 140 (23). 234701pp. doi:10.1063/1.4882065
Ramothe, Vivien, Charlet, Laurent, Gilbert, Benjamin, Simonnin, Pauline, Sassi, Michel, Rosso, Kevin M. (2022) Ab initio modeling of H2S dissociative chemisorption on Ag(100) Physical Chemistry Chemical Physics, 24 (31) 18751-18763 doi:10.1039/d1cp05612c
Kerisit, Sebastien, Rosso, Kevin M. (2005) Charge transfer in FeO: A combined molecular-dynamics and ab initio study. The Journal of Chemical Physics, 123 (22). 224712pp. doi:10.1063/1.2137319
Sushko, Maria L., Alexandrov, Vitaly, Schreiber, Daniel K., Rosso, Kevin M., Bruemmer, Stephen M. (2015) Multiscale model of metal alloy oxidation at grain boundaries. The Journal of Chemical Physics, 142 (21). 214114pp. doi:10.1063/1.4921940
Alexandrov, Vitaly, Neumann, Anke, Scherer, Michelle M., Rosso, Kevin M. (2013) Electron Exchange and Conduction in Nontronite from First-Principles. The Journal of Physical Chemistry C, 117 (5). 2032-2040 doi:10.1021/jp3110776
Toczydłowska, Diana, Kędra-Królik, Karolina, Nejbert, Krzysztof, Preočanin, Tajana, Rosso, Kevin M., Zarzycki, Piotr (2015) Potentiometric and electrokinetic signatures of iron(ii) interactions with (α,γ)-Fe2O3. Physical Chemistry Chemical Physics, 17 (39). 26264-26269 doi:10.1039/c5cp03106k
 
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