Pregled bibliografske jedinice broj: 540814
On Topological Modeling of 5/7 Structural Defects Drifting in Graphene
On Topological Modeling of 5/7 Structural Defects Drifting in Graphene // Carbon Bonding and Structures: Advances in Physics and Chemistry / Putz, Mihai V. (ur.).
Dordrecht: Springer, 2011. str. 43-55 doi:10.1007/978-94-007-1733-6_3
CROSBI ID: 540814 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
On Topological Modeling of 5/7 Structural Defects Drifting in Graphene
Autori
Ori, Ottorino ; Cataldo, Franco ; Graovac, Ante
Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni
Knjiga
Carbon Bonding and Structures: Advances in Physics and Chemistry
Urednik/ci
Putz, Mihai V.
Izdavač
Springer
Grad
Dordrecht
Godina
2011
Raspon stranica
43-55
ISBN
978-94-007-1732-9
Ključne riječi
graphene ; pentagon-heptagon defects ; migration of ; Wiener index
Sažetak
Rearrangements of graphene layer under iterated Stone-Wales transformations are studied from a pure topological point of view. The analysis provides indications about relative chemical stabilities of different isomeric distributions of pentagon-heptagon pairs, i.e. of the 5/7 structural defects, migrating in graphene layer. Our computations are performed in dual topological space with the Wiener index being taken as a topological potential of the system that rules migration of defects in graphene layer.
Izvorni jezik
Engleski
Znanstvena područja
Matematika, Fizika, Kemija
POVEZANOST RADA
Projekti:
098-0982929-2940 - Modeliranje molekula i materijala metodama matematičke i računarske kemije
177-0982929-2940 - Modeliranje molekula i materijala metodama matematičke i računarske kemije
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Split,
Sveučilište u Dubrovniku
Profili:
Ante Graovac
(autor)