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Open AccessArticle

Bondonic Effects in Group-IV Honeycomb Nanoribbons with Stone-Wales Topological Defects

by Mihai V. Putz 1,* and Ottorino Ori 1,2
1
Laboratory of Computational and Structural Physical-Chemistry for Nanosciences and QSAR, Biology-Chemistry Department, Faculty of Chemistry, Biology, Geography, West University of Timişoara, Pestalozzi Street No.16, Timişoara, RO-300115, Romania
2
Actinium Chemical Research, Via Casilina 1626/A, Rome 00133, Italy
*
Author to whom correspondence should be addressed.
Molecules 2014, 19(4), 4157-4188; https://doi.org/10.3390/molecules19044157
Received: 23 February 2014 / Revised: 26 March 2014 / Accepted: 27 March 2014 / Published: 3 April 2014
(This article belongs to the Special Issue Quantum Information in Molecular Structures and Nanosystems)
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. View Full-Text
Keywords: bondons; electronegativity; graphene; silicene; germanene; phase transition; 4th order quantum propagator bondons; electronegativity; graphene; silicene; germanene; phase transition; 4th order quantum propagator
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MDPI and ACS Style

Putz, M.V.; Ori, O. Bondonic Effects in Group-IV Honeycomb Nanoribbons with Stone-Wales Topological Defects. Molecules 2014, 19, 4157-4188.

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