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Published in 2022 at "Physical review letters"
DOI: 10.1103/physrevlett.130.076201
Abstract: We compute ionic free energy adsorption profiles at an aqueous graphene interface by developing a self-consistent approach. To do so, we design a microscopic model for water and put the liquid on an equal footing…
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Keywords:
graphene water;
water;
ionic graphene;
interface ... See more keywords
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Published in 2017 at "Journal of The Chilean Chemical Society"
DOI: 10.4067/s0717-97072017000403668
Abstract: In order to deepen understanding the interactions between ionic liquid and chitin/chitosan/ cellulose at the molecular level, we have performed a study on the electronic structures, topological properties, nonconvalent interactions between 1-ethyl-3-methyl imidazolium chloride and…
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Keywords:
ionic liquid;
chitosan cellulose;
interactions ionic;
chitin chitosan ... See more keywords