Defects, Diffusion and Dopants in Sillimanite
نویسندگان
چکیده
منابع مشابه
Intrinsic defects and dopants in LiNH2: a first-principles study.
The lithium amide (LiNH(2)) + lithium hydride (LiH) system is one of the most attractive light-weight materials options for hydrogen storage. Its dehydrogenation involves mass transport in the bulk (amide) crystal through lattice defects. We present a first-principles study of native point defects and dopants in LiNH(2) using density functional theory. We find that both Li-related defects (the ...
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ژورنال
عنوان ژورنال: Minerals
سال: 2020
ISSN: 2075-163X
DOI: 10.3390/min10100857