9 papers
Ionic Diffusion Properties of Rare-Earth High-Entropy Oxides from a Machine-Learned Interatomic Potential
Mary Kathleen Caucci, Billy E. Yang, Saeed S. I. Almishal +2
Rare-earth high-entropy oxides (RE-HEOs) have emerged as a promising class of functional ceramics for solid-state electrochemical applications due to their chemical complexity, str…
Compositional and Oxygen-Vacancy Effects on Phase Stability and Electronic Properties in Ceria-Based Lanthanide High-Entropy Oxides
Mary Kathleen Caucci, Billy E. Yang, Gerald R. Bejger +5
Cerium-based lanthanide high-entropy oxides (LN-HEOs) are promising candidates for solid-state electrolyte (mass transport) applications due to their ability to accommodate high co…
Resolving Structural Transitions in Lanthanide High-Entropy Oxides
Billy E. Yang, Saeed S. I. Almishal, Sai Venkata Gayathri Ayyagari +6
We report a temperature-composition phase diagram for the chemically disordered and CeO2-LA2O3 high entropy oxides (HEOs), where LA denotes equimolar Y, La, Sm, and Pr, delineating…
Exploring Cation Selection and Disorder within Entropy-Driven O (=Zr/Hf, =Nb/Ta) Oxides
Jacob T. Sivak, R. Jackson Spurling, Jon-Paul Maria +1
We investigate the local atomic and electronic structure, thermodynamic stability, and defect chemistry of O ( = Zr/Hf, = Nb/Ta) oxides using first-princi…
Chemically-Disordered Transparent Conductive Perovskites with High Crystalline Fidelity
Saeed S. I. Almishal, Pat Kezer, Yasuyuki Iwabuchi +16
This manuscript presents a working model linking chemical disorder and transport properties in correlated-electron perovskites with high-entropy formulations and a framework to act…
Maximizing solubility in rock salt high-entropy oxides
Matthew Furst, Joseph Petruska, Dhiya Srikanth +5
To explore and quantitatively map the cation-size mismatch solubility limits in high-entropy oxides (HEOs), we report on Ca substitution in prototypical MgCoNiCuZnO, because…