most citedUnravelling 2,4-D -- biochar interactions by molecular dynamics: adsorption modes and surface functionalities

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cond-mat.mtrl-sci2026

Decoupling Precipitation and Surface Complexation during Mn(II) Removal by Biochar via Experiments and Atomistic Simulations

Audrey Ngambia, Anastasiia Gavrilova, Haitao Huang +4

Manganese(II) mobilised by mining activity poses a persistent water-quality challenge, yet the mechanisms by which low-cost sorbents, such as biochar, sequester Mn(II) remain poorl…

cond-mat.mtrl-sci2025★ 2 cited

Unravelling 2,4-D -- biochar interactions by molecular dynamics: adsorption modes and surface functionalities

Rosie Wood, Ondřej Mašek, Valentina Erastova

We report a molecular dynamics investigation of 2,4-dichlorophenoxyacetic acid (2,4-D) adsorption at the aqueous-biochar interface using experimentally constrained woody biochar mo…