Unconventional Stoichiometries of Na–O Compounds at High Pressures

Unconventional Stoichiometries of Na–O Compounds at High Pressures

It has been realized that the stoichiometries of compounds may change under high pressure, which is crucial in the discovery of novel materials. This work uses systematic structure exploration and first-principles calculations to consider the stability of different stoichiometries of Na–O compounds...

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Bibliographic Details
Main Authors: Lihua Yang, Yukai Zhang, Yanli Chen, Xin Zhong, Dandan Wang, Jihui Lang, Xin Qu, Jinghai Yang
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Materials
Subjects:
high pressure
structure prediction
electride
Online Access:https://www.mdpi.com/1996-1944/14/24/7650

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https://www.mdpi.com/1996-1944/14/24/7650

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