Add time:07/22/2019         Source:sciencedirect.com

The combined method of first principles calculations with structure searching is employed to study the phase stability of stoichiometric ZrHx system with x = 1–3. A new zirconium hydride structure of P63/mmc ZrH3 is predicted to be thermodynamically stable at ambient pressure. Compared to ZrH and ZrH2, the electron-phonon coupling (EPC) in the phonon DOS of the hexagonal phase P63/mmc ZrH3 is much stronger. The superconductivity of the P63/mmc-ZrH3 has been predicted with a critical temperature Tc of 11.7 K, indicating perspectives in the interpretation of zirconium hydrides for the inherent properties and potential applications.

We also recommend Trading Suppliers and Manufacturers of Zirconium hydride (cas 11105-16-1). Pls Click Website Link as below: cas 11105-16-1 suppliers