DOE OSTI · 3375020
Atomic structures for studying elemental segregation at garnet grain boundaries
Abstract
This is a dataset containing atomic structures of bulk and grain boundaries of doped/undoped Li7La3Zr2O12 solid electrolytes, which were obtained from atomic simulations in a journal paper "Elemental Segregation at Garnet Grain Boundaries: Eliminating Its Detrimental Role in Conductivity and Lithium Nucleation" by Kai Yao et al.
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Kim, Kwangnam [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]. 2026-04-23. Atomic structures for studying elemental segregation at garnet grain boundaries. https://doi.org/10.5281/zenodo.20433770
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