Kim, C.-E.; Yoo, S.-H.; Bahr, D. F.; Stampfl, C.; Soon, A.: Uncovering the Thermo-Kinetic Origins of Phase Ordering in Mixed-Valence Antimony Tetroxide by First-Principles Modeling. Inorganic Chemistry 56 (11), pp. 6545 - 6550 (2017)
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.
In this project, we employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.