32 citations · 46 across the 3 of their papers we have counts for
3 papers
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…
cond-mat.mtrl-sci2023★ 12 cited
Biochars at the molecular level. Part 2 -- Development of realistic molecular models of biochars
Rosie Wood, Ondrej Masek, Valentina Erastova
Biochars have been attracting renewed attention as economical and environmentally friendly carbon sequestration materials with a diverse range of applications. However, experimenta…
cond-mat.mtrl-sci2023★ 32 cited
Biochars at the molecular level. Part 1 -- Insights into the molecular structures within biochars
Rosie Wood, Ondrej Masek, Valentina Erastova
Biochars are black carbonaceous solids produced through biomass pyrolysis under conditions of little or no oxygen. Whilst their properties are well studied, and their applications…