Stability and Speciation of Hydrated Magnetite {111} Surfaces from Ab Initio Simulations with Relevance for Geochemical Redox Processes

Author:

Katheras Anita S.1ORCID,Karalis Konstantinos1,Krack Matthias2ORCID,Scheinost Andreas C.34ORCID,Churakov Sergey V.15ORCID

Affiliation:

1. Institute of Geological Sciences, University of Bern, CH-3012 Bern, Switzerland

2. Laboratory for Materials Simulations (LMS), Paul Scherrer Institute (PSI), CH-5232 Villigen PSI, Switzerland

3. The Rossendorf Beamline (BM20), European Synchrotron Radiation Lab, FR-38043 Grenoble, France

4. Institute of Resource Ecology, Helmholtz-Zentrum Dresden-Rossendorf, DE-01328 Dresden-Rossendorf, Germany

5. Laboratory for Waste Management (LES), Paul Scherrer Institute (PSI), CH-5232 Villigen PSI, Switzerland

Funder

Bundesministerium f?r Bildung und Forschung

Centro Svizzero di Calcolo Scientifico

University of Bern

Publisher

American Chemical Society (ACS)

Subject

Environmental Chemistry,General Chemistry

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