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    Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles by Peter S. Rice (11805875)

    Published 2025
    “…Lastly, we explore correlations between geometric and electronic features of the active sites and the adsorption of H (H<sub>ads</sub>), using a regularized random forest machine learning algorithm. In doing so, we identified the Fe–C coordination number and p orbital occupancy as the most important descriptors affecting H<sub>ads</sub>. …”