Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium‐Silicon Aromatic Units

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 ana...

Full description

Saved in:
Bibliographic Details
Published inChemphyschem Vol. 22; no. 10; pp. 906 - 910
Main Authors Manrique‐de‐la‐Cuba, María Fernanda, Leyva‐Parra, Luis, Inostroza, Diego, Gomez, Badhin, Vásquez‐Espinal, Alejandro, Garza, Jorge, Yañez, Osvaldo, Tiznado, William
Format Journal Article
LanguageEnglish
Published Weinheim Wiley Subscription Services, Inc 17.05.2021
Subjects
ab-initio computations
Aromaticity
Chemical bonds
cluster's assembled nanostructures
Clusters
Feasibility studies
global minima structures
Lithium
Magnetic properties
Silicon
silicon-lithium aromatic clusters
Online AccessGet full text

Cover

More Information
Summary: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. Aromatic units: Ab‐initio computations show that aromatic clusters Td−Li4Si4 and C2v−Li6Si5 are suitable building blocks for assembly Li8Si8, Li10Si9, and Li12Si10 nanostructures.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202001051