Amerigo Beneduci

Site-Specific Selectivity of Citrate-Functionalized Carbon Nanotubes for Adsorption-Driven Transport of Rare Earth Elements: An Ab Initio Computational Study

Abstract Separation of Rare Earth Elements (REEs) remains an open challenge for their closely related coordination chemistry and hydration. Neodymium (Nd) and yttrium (Y) form an exemplary pair for this open problem, since Nd is a priority target for recovery from end-of-life mag...