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Royal Society of Chemistry, Molecular Systems Design & Engineering, 2(8), p. 207-216, 2023

DOI: 10.1039/d2me00152g

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Si<sub>5</sub>-pentagonal rings and Y-shaped Si<sub>4</sub>building blocks in Li<sub>32</sub>Si<sub>18</sub>system: similarities with the crystalline Zintl phase Li<sub>12</sub>Si<sub>7</sub>

Journal article published in 2023 by Osvaldo Yañez ORCID, Diego Inostroza ORCID, Luis Leyva-Parra ORCID, José Solar-Encinas, J. César Cruz ORCID, Jorge Garza, Alejandro Vásquez-Espinal ORCID, Ricardo Pino-Rios ORCID, Walter Orellana ORCID, William Tiznado ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

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