Supplementary Material

https://doi.org/10.60893/figshare.jcp.30282706

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posted on 2025-10-23, 12:07 authored by Asma Marzouk, Konstantinos Papavasileiou, Loukas Peristeras, Leendert Bezemer, Alexander van Bavel, Prathamesh Shenai, Ioannis Economou

Supplementary Material with table and figures

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DOI - Is supplement to <strong>Multi-Scale Study of Cobalt Adsorption on TiO<sub>2</sub> Anatase (101): From DFT to Force-field Parameterization</strong>

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Keywords

Ab initio calculations Molecular Dynamics simulations Force field parameterization

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CC BY 4.0