首页 | 本学科首页   官方微博 | 高级检索  
     


Topological anisotropy of stone-wales waves in graphenic fragments
Authors:Ori Ottorino  Cataldo Franco  Putz Mihai V
Affiliation:Actinium Chemical Research, Via Casilina 1626/A, 00133 Rome, Italy; E-Mail: franco.cataldo@fastwebnet.it.
Abstract:Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant evidences a marked anisotropy of the Stone-Wales defects that, topologically, are in fact preferably generated and propagated along the diagonal of the graphenic fragments, including carbon nanotubes and graphene nanoribbons. This peculiar edge-effect is shown in this paper having a predominant topological origin, leaving to future experimental investigations the task of verifying the occurrence in nature of wave-like defects similar to the ones proposed here. Graph-theoretical tools used in this paper for the generation and the propagation of the Stone-Wales defects waves are applicable to investigate isomeric modifications of chemical structures with various dimensionality like fullerenes, nanotubes, graphenic layers, schwarzites, zeolites.
Keywords:topological modeling   Wiener index   Stone-Wales wave   carbon nanostructure
本文献已被 PubMed 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号