Multifidelity Machine Learning Interatomic Potentials for Charged Point Defects
Xinwei Wang, Irea Mosquera-Lois, and Aron Walsh
PRX Energy 5, 043001 (2026) - Published 8 October, 2026
Machine-learning interatomic potentials with global charge embeddings and multifidelity training predict the ground-state structures and thermodynamics of charged defects in the solar absorber with hybrid-DFT accuracy.
Investigations of Catalysts for Catalytic Decomposition of Methane
Samuel B. Portillo, Joshua Sellers, and Fanxing Li
PRX Energy 5, 043002 (2026) - Published 13 October, 2026
Synthesizing iron catalysts on an alumina support via simple ball-milling enables effective methane decomposition into hydrogen and graphitic carbon.
Non-Arrhenius Lithium Diffusion With Temperature-Independent Haven Ratio in Garnet-Type Single Crystals
Kaori Sugii, Gen Hasegawa, Kunimitsu Kataoka, Kenjiro Hashi, Junji Akimoto, Kazunori Takada, and Naoaki Kuwata
PRX Energy 5, 043003 (2026) - Published 21 October, 2026
By exploring lithium-ion diffusion in a garnet-type oxide across a wide temperature range, this work offers insight into the ion conduction mechanism in these solid-state electrolytes.


