2 papers
cond-mat.mtrl-sci2026
Barrierless Water Dissociation on Rare-Earth Sesquioxide Surfaces from First Principles
Shuxiang Zhou, Jay A. LaVerne, Hanna Hlushko
Water dissociation on metal oxide surfaces is a key elementary step in heterogeneous catalysis, photocatalysis, and radiation chemistry, yet its mechanistic details on rare-earth (…
cond-mat.mtrl-sci2024
Xenon-metal pair formation in UO2 investigated using DFT+U
Linu Malakkal, Shuxiang Zhou, Himani Mishra +4
A recent experimental study on a spent uranium dioxide (UO2) fuel sample from Belgium Reactor 3 (BR3) identified a unique pair structure formed by the noble metal phase (NMP) and f…