Bondonic effects in group-IV honeycomb nanoribbons with Stone-Wales topological defects.
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.
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. mvputz@cbg.uvt.ro.
Mihai V
MV
Putz
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. ottorino.ori@alice.it.
Ottorino
O
Ori
D005857:Germanium / Q000737:chemistry; D006108:Graphite / Q000737:chemistry*; D015233:Models, Statistical; D037742:Nanotubes, Carbon / Q000737:chemistry*; D044367:Phase Transition; D011789:Quantum Theory; D012825:Silicon / Q000737:chemistry; D055672:Static Electricity; D013816:Thermodynamics; D014001:Tin / Q000737:chemistry
D037742:Nanotubes, Carbon; D005857:Germanium; D014001:Tin; D006108:Graphite; D012825:Silicon