Title
Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-Silicon Aromatic Units
Date Issued
17 May 2021
Access level
metadata only access
Resource Type
journal article
Author(s)
Manrique-de-la-Cuba M.F.
Leyva-Parra L.
Inostroza D.
Vásquez-Espinal A.
Garza J.
Yañez O.
Tiznado W.
Abstract
We report the global minima structures of Li8Si8, Li10Si9, and Li12Si10 systems, in which silicon moieties maintain structural and chemical bonding characteristics similar to those of their building blocks: the aromatic clusters Td−Li4Si4 and C2v−Li6Si5. Electron counting rules, chemical bonding analysis, and magnetic response properties verify the silicon unit‘s aromaticity persistence. This study demonstrates the feasibility of assembling silicon-based nanostructures from aromatics clusters as building blocks.
Start page
906
End page
910
Volume
22
Issue
10
Language
English
OCDE Knowledge area
Química física
Subjects
Scopus EID
2-s2.0-85104824359
PubMed ID
Source
ChemPhysChem
ISSN of the container
14394235
Sponsor(s)
The authors are grateful for the financial support of the grants: National Agency for Research and Development (ANID)/Scholarship Program/BECAS DOCTORADO NACIONAL/2019‐21190427, National Agency for Research and Development (ANID)/Scholarship Program/BECAS DOCTORADO NACIONAL/2020‐21201177 and Fondecyt grant N° 1211128 . Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM‐02). The authors are grateful to the Laboratorio de Supercómputo y Visualización en Paralelo at Universidad Autónoma Metropolitana‐Iztapalapa for allowing us to perform some of the calculations in this work.
Sources of information:
Directorio de Producción Científica
Scopus