Nanosized Layered TOT Magnesium-Silicates: Equilibrium Morphologies and Surface Speciation, a Computational and Experimental Study

The morphology, surface speciation, NMR, and IR spectroscopic properties of nanosized layered magnesium silicate isostructural to talc at equilibrium in an aqueous environment were computed from first principles. The theoretical predictions were successfully compared with experimental results obtained on a commercial magnesium silicate hydrate, revealing insights relevant for understanding the catalytic and other surface properties of such materials of promising industrial applications.