Si₅-pentagonal rings and Y-shaped Si₄ building blocks in Li₃₂Si₁₈ system: similarities with the crystalline Zintl phase Li₁₂Si₇

Osvaldo Yáñez,Diego Inostroza,Luis Leyva‐Parra,José Solar-Encinas, Julio C. Cruz,Jorge Garza,Alejandro Vásquez‐Espinal,Ricardo Pino‐Rios,Walter Orellana,William Tiznado

Molecular Systems Design and Engineering（2023）

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摘要

Density functional theory calculations support the possibility that Li 10 Si 4 and Li 6 Si 5 clusters can be combined to assemble structures, opening opportunities for silicon–lithium cluster assembled materials.

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crystalline zintl phase li32si18,si5-pentagonal,y-shaped

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Si5-pentagonal rings and Y-shaped Si4 building blocks in Li32Si18 system: similarities with the crystalline Zintl phase Li12Si7

Si₅-pentagonal rings and Y-shaped Si₄ building blocks in Li₃₂Si₁₈ system: similarities with the crystalline Zintl phase Li₁₂Si₇