Figure 2 (IMAGE)

Advanced Institute for Materials Research (AIMR), Tohoku University

Figure 2

Caption

Experimental and simulated cation migration barriers of hydride SSEs. (A) Typical cations, anions, and neutral molecules in hydride SSEs. (B) Comparison between experimental Ea and the simulated Ea from MetaD simulations, for structures with (filled icons) and without (half-filled icons) neutral molecules. (C) Snapshots of MetaD simulations of Mg(BH4)2·2NH3. (D) The projected spatial track of Mg2+ ion (Mg-track project) during the simulations. (E-F) The unit structure (E) and migration process (F) of Mg(BH4)2·2NH3 and LiBH4·NH3. (G) The potential energy surface of Mg(BH4)2·2NH3 captured by MetaD simulations.

Credit

©Qian Wang et al.

Usage Restrictions

Reporters may use freely these materials in news coverage with appropriate credit information.

License

Licensed content

Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.