Negative Hydration Expansion in ZrW2O8: Microscopic Mechanism, Spaghetti Dynamics, and Negative Thermal Expansion

Mia Baise, Phillip M. Maffettone, Fabien Trousselet +3

We use a combination of X-ray diffraction, total scattering and quantum mechanical calculations to determine the mechanism responsible for hydration-driven contraction in ZrW${}_2$O$…