Browsing by Subject "DFT-D"
Now showing items 1-2 of 2
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Adsorption and coadsorption of single and multiple natural organic matter on Ag (1 1 1) surface: a DFT-D study
(Elsevier, 2020)The nature of the interaction of low molecular weight natural organic matter (NOM) with the Ag (1 1 1) surface is of crucial importance in the environment. The low molecular weight organics used in this study are formic ... -
Modelling the adsorption of natural organic matter on Ag (111) surface: insights from dispersion corrected density functional theory calculations
(Elsevier, 2019)Understanding the nature of the interactions between natural organic matter (NOM) and engineered nanoparticles (ENPs) is of crucial importance in understanding the fate and behaviour of engineered nanoparticles in the ...