Density Functional Theory Study of Arsenate Adsorption onto Alumina Surfaces
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DOI: 10.3390/min8030091
Abstract: Atomistic modeling of mineral–water interfaces offers a way of confirming (or refuting) experimental information about structure and reactivity. Molecular-level understanding, such as orbital-based descriptions of bonding, can be developed from charge density and electronic structure… read more here.
Keywords: density functional; arsenate adsorption; study; alumina surfaces ... See more keywords