Probing the effects of lithium doping on structures, properties, and stabilities of magnesium cluster anions

Bimetallic clusters have aroused tremendous interest because the property changes like structure, size, and composition have occurred. Herein, a structural search of the global minimum for anionic LiMg n − ( n = 2–11) clusters is performed using an efficient crystal structure analysis by particle sw...

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Veröffentlicht in:	Chinese physics B 2023-06, Vol.32 (6), p.66102-454
Hauptverfasser:	Zhang, Xiao-Yi, Zhao, Ya-Ru, Li, Hong-Xing, Cheng, Kai-Ge, Liu, Zi-Rui, Liu, Zhi-Ping, He, Hang
Format:	Artikel
Sprache:	eng
Schlagworte:	clusters crystal structure analysis by particle swarm optimization (CALYPSO) electronic properties LiMg structures
Online-Zugang:	Volltext
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