Si5-pentagonal Rings and Y-shaped Si4building Blocks in Li32Si18system: Similarities with the Crystalline Zintl Phase Li12Si7

Osvaldo Yanez,Diego Inostroza,Luis Leyva-Parra,Jose Solar-Encinas,J. Cesar Cruz,Jorge Garza,Alejandro Vasquez-Espinal,Ricardo Pino-Rios, Walter Orettana,William Tiznado

Molecular systems design & engineering（2023）

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摘要

Density functional theory calculations support the possibility that Li10Si4and Li6Si5clusters can be combined to assemble structures, opening opportunities for silicon–lithium cluster assembled materials.

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