One- and two-dimensional carbon nanostructures based on unfolded buckyballs: An ab initio investigation of their electronic properties

Francisco Iago Lira Passos, José Gadelha Da Silva Filho, Aldilene Saraiva-Souza, Antônio Gomes Souza Filho, Vincent Meunier, Eduardo Costa Girão

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

Motivated by recent experimental research on the temperature-induced unfold of C60 molecules, carbon nanostructures are proposed based on the complex assemblies of molecules resulting from the hierarchical unzipping of fullerene cages. Such assemblies can result in either 1D ribbons or 2D porous membrane systems whose electronic structure is studied here using ab initio calculations. These ribbons and membranes show versatile electronic behaviors such as direct or indirect band gaps that can be fine tuned as a function of the details of the atomic structure, such as the type of assembly and ribbon width.

Original languageEnglish (US)
Article number195124
JournalPhysical Review B
Volume95
Issue number19
DOIs
StatePublished - May 10 2017

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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