TY - RPRT TI - Insights into the Oxidation Mechanism of Vivianite to Metavivianite from First-Principles Calculations AU - Sassi, Michel [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000325823735) AU - Rosso, Kevin M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000284747720) PY - 2025 DO - 10.1021/acs.jpcc.4c07790 UR - https://www.osti.gov/biblio/3014249 ID - 3014249 ER -