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

María Fernanda Manrique-de-la-Cuba, Luis Leyva-Parra, Diego Inostroza, Badhin Gomez, Alejandro Vásquez-Espinal, Jorge Garza, Osvaldo Yañez, William Tiznado

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
JournalChemPhysChem
DOIs
Publication statusAccepted/In press - 2021

Keywords

  • ab-initio computations
  • aromaticity
  • cluster's assembled nanostructures
  • global minima structures
  • silicon-lithium aromatic clusters

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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