Data for "Hydride Ion Diffusion along Grain Boundaries in Titanium Nitride"
收藏NIAID Data Ecosystem2026-05-01 收录
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资源简介：
Relaxed structures of pristine titanium nitride grain boundaries, including nitrogen vacancy and hydrogen defects as well as transition states for hydrogen diffusion. The grain boundaries are the open and compact structures of Σ5 (210)[001] and Σ5 (310)[001].
创建时间：
2024-03-15
