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Molecules 2014, 19(4), 4157-4188; doi:10.3390/molecules19044157

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

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
Actinium Chemical Research, Via Casilina 1626/A, Rome 00133, Italy
Author to whom correspondence should be addressed.
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)
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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

This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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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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