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Published in 2017 at "Minerals"
DOI: 10.3390/min7120236
Abstract: A new understanding of the adsorption mechanism of oleate on cassiterite surfaces is presented by density functional theory (DFT) calculations. Various convergence tests were conducted to optimize the parameter settings for the rational simulation of…
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Keywords:
adsorption;
dft;
surface;
oleate cassiterite ... See more keywords