Ultralow work function of the electride Sr3CrN3

Electrides have valence electrons that occupy free space in the crystal structure, making them easier to extract. This feature can be used in catalysis for important reactions that usually require a high-temperature and high-pressure environments, such as ammonia synthesis. In this paper, we use den...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-04, Vol.24 (15), p.8854-8858
Hauptverfasser:	Wang, Cuicui, Xu, Miaoting, Butler, Keith T, Burton, Lee A
Format:	Artikel
Sprache:	eng
Schlagworte:	Ammonia Bulk density Catalysis Crystal structure Density functional theory Electron density Electrons Feature extraction Free electrons High temperature Work functions
Online-Zugang:	Volltext
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