Bondonic effects in group-IV honeycomb nanoribbons with Stone-Wales topological defects

Molecules. 2014 Apr 3;19(4):4157-88. doi: 10.3390/molecules19044157.

Abstract

This work advances the modeling of bondonic effects on graphenic and honeycomb structures, with an original two-fold generalization: (i) by employing the fourth order path integral bondonic formalism in considering the high order derivatives of the Wiener topological potential of those 1D systems; and (ii) by modeling a class of honeycomb defective structures starting from graphene, the carbon-based reference case, and then generalizing the treatment to Si (silicene), Ge (germanene), Sn (stannene) by using the fermionic two-degenerate statistical states function in terms of electronegativity. The honeycomb nanostructures present η-sized Stone-Wales topological defects, the isomeric dislocation dipoles originally called by authors Stone-Wales wave or SWw. For these defective nanoribbons the bondonic formalism foresees a specific phase-transition whose critical behavior shows typical bondonic fast critical time and bonding energies. The quantum transition of the ideal-to-defect structural transformations is fully described by computing the caloric capacities for nanostructures triggered by η-sized topological isomerisations. Present model may be easily applied to hetero-combinations of Group-IV elements like C-Si, C-Ge, C-Sn, Si-Ge, Si-Sn, Ge-Sn.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Germanium / chemistry
  • Graphite / chemistry*
  • Models, Statistical*
  • Nanotubes, Carbon / chemistry*
  • Phase Transition
  • Quantum Theory
  • Silicon / chemistry
  • Static Electricity
  • Thermodynamics
  • Tin / chemistry

Substances

  • Nanotubes, Carbon
  • Germanium
  • Tin
  • Graphite
  • Silicon