Ab initio molecular dynamics simulation of Nd3+ incorporation in calcite
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DOI: 10.1016/j.chemgeo.2019.119460
Abstract: Abstract Trivalent rare-earth elements (REEs) readily incorporate in Ca-bearing minerals such as calcite (CaCO3), a phenomenon with important implications for the use of REEs as biogeochemical tracers as well as for environmental remediation. Despite substantial… read more here.
Keywords: calcite; molecular dynamics; incorporation; incorporation modes ... See more keywords