Si5-pentagonal rings and Y-shaped Si4 building blocks in Li32Si18 system: similarities with the crystalline Zintl phase Li12Si7-Reference-Cited by-同舟云学术

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

Published:2023 Issue:2 Volume:8 Page:207-216
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Yañez Osvaldo¹²^ORCID,Inostroza Diego³⁴^ORCID,Leyva-Parra Luis³⁴^ORCID,Solar-Encinas José³⁴,Cruz J. César⁵^ORCID,Garza Jorge⁵,Vásquez-Espinal Alejandro⁶^ORCID,Pino-Rios Ricardo⁶^ORCID,Orellana Walter⁷^ORCID,Tiznado William³^ORCID

Affiliation:

1. Facultad de Ingeniería y Negocios, Universidad de las Américas, Santiago 7500000, Chile

2. Center of New Drugs for Hypertension (CENDHY), Santiago 8380494, Chile

3. Computational and Theoretical Chemistry Group, Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile

4. Universidad Andres Bello, Programa de Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Santiago, Chile

5. Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, C. P. 09340, Ciudad de México, Mexico

6. Química y Farmacia, Facultad de Ciencias de la Salud, Universidad Arturo Prat, Casilla 121, Iquique 1100000, Chile

7. Departamento de Ciencias Físicas, Universidad Andres Bello, Santiago, 8370136 Chile

Abstract

Density functional theory calculations support the possibility that Li10Si4 and Li6Si5 clusters can be combined to assemble structures, opening opportunities for silicon–lithium cluster assembled materials.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Agencia Nacional de Investigación y Desarrollo

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2023/ME/D2ME00152G

Reference92 articles.

1. Silicon-Based Thermoelectrics Made from a Boron-Doped Silicon Dioxide Nanocomposite

2. Molecular Silicon Clusters

3. Silicon electronics and beyond

4. Application of hot-wire chemical vapor-deposited Si:H films in thin film transistors and solar cells

5. Silicon-Based Low-Dimensional Nanomaterials and Nanodevices