Si5-pentagonal rings and Y-shaped Si4building blocks in Li32Si18system: similarities with the crystalline Zintl phase Li12Si7

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

doi:10.1039/d2me00152g

Mol. Syst. Des. Eng.

2023

DOI: 10.1039/d2me00152g

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Si₅-pentagonal rings and Y-shaped Si₄building blocks in Li₃₂Si₁₈system: similarities with the crystalline Zintl phase Li₁₂Si₇

Osvaldo Yáñez

Diego Inostroza

Luis Leyva‐Parra

et al.

Abstract: Potential energy surface screening combined with density functional computations reveal that the Li32Si18 lowest energy structure consists of Si4 Y-shaped and Si5-pentagonal moieties, as observed in the crystalline Zintl-phase Li12Si7....

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Si₅-pentagonal rings and Y-shaped Si₄building blocks in Li₃₂Si₁₈system: similarities with the crystalline Zintl phase Li₁₂Si₇

Abstract: Potential energy surface screening combined with density functional computations reveal that the Li32Si18 lowest energy structure consists of Si4 Y-shaped and Si5-pentagonal moieties, as observed in the crystalline Zintl-phase Li12Si7....

Cited by 0 publications

References 89 publications

No citations

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