First-Principles Description of the Different Phases in the Li2NH Compound: Electronic Structure and Optical Properties

A hydrogen storage material can also be used as a potential and effective solid reducing agent in addition to its applications as an important energy carrier. The density function theory has been used to find the structural and optoelectronic properties of the Li 2 NH compound. The exchange-correlat...

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Veröffentlicht in:Journal of the Korean Physical Society 2019-06, Vol.74 (12), p.1140-1145
Hauptverfasser: Makhdoom, Madiha, Jamil, Muhammad Imran, Azam, Sikander, Irfan, Muhammad, Abbas, Zeesham, Gul, Banat, Khan, Saleem Ayaz, Wang, Xiaotian
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Sprache:eng
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