2 papers
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
Unravelling 2,4-D -- biochar interactions by molecular dynamics: adsorption modes and surface functionalities
Rosie Wood, OndÅej MaÅ¡ek, 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…