From the 9 of 166 papers with an AI index.
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3 papers · 1 filter
Local B-site chemistry controls oxygen-vacancy energetics in Ca-Ce-Ti-Mn perovskites for thermochemical hydrogen production
Manish Kumar, Natalia Ali, Matthew D. Witman +5
Two-step thermochemical water splitting driven by concentrated solar heat is a scalable route to renewable hydrogen, but it requires oxides whose oxygen-vacancy formation energies…
Coordination-Sensitive Nanoscale Analysis of Defect-Driven Phase Transformation in Si-Doped (AlXGa1-X)2O3
Shaon Das, Jith Sarker, Christopher Chae +5
Defect-driven phase instability critically influences the structural reliability of ultrawide bandgap oxides, yet direct nanoscale metrics linking local chemistry to structural tra…
Mapping Microstructure: Manifold Construction for Accelerated Materials Exploration
Simon A. Mason, Megna N. Shah, Jeffrey P. Simmons +2
Accelerating materials development requires quantitative linkages between processing, microstructure, and properties. In this work, we introduce a framework for mapping microstruct…