Computer-aided design of nanostructured materials containing trisaza-bridged [60]fullerene

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

A novel fullerene-based building block for the synthesis of nanostructured materials has been designed with the aid of electronic structure theory calculations and molecular modeling. The building block consists of four trisaza-bridged C60 fullerene molecules linked to a central cubane (C8) unit. Each C60 unit is located on the vertex of a tetrahedron with edge of 2.2 nm. One possible packing mode of the building blocks to yield the nanostructured material is suggested.

Original languageEnglish
Pages (from-to)689-692
Number of pages4
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Volume29
Issue number3-4
DOIs
Publication statusPublished - 2005 Nov

Keywords

  • Computational quantum chemistry
  • Fullerenes
  • Molecular nanostructures
  • Nanostructured materials

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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