TY - JOUR
T1 - Self-assembly of free-standing graphene nano-ribbons
AU - Pang, Andrew Li Jian
AU - Sorkin, Viacheslav
AU - Zhang, Yong-Wei
AU - Srolovitz, David J.
PY - 2012/2/6
Y1 - 2012/2/6
N2 - We performed molecular dynamics (MD) simulations to investigate the self-assembly of a free-standing graphene nano-ribbon (GNR). It was found that the kinetic pathway of a GNR is dictated by both the complex energy landscape, which drives the GNR towards a low energy regular conformation, and the formation of locking frustrations, which traps the GNR at a metastable state with an irregular conformation. For an initially planar GNR, we observed a regularly folded conformation over a finite range of GNR lengths. Using an energy minimization approach, we were able to predict the number of folds in this regularly folded conformation.
AB - We performed molecular dynamics (MD) simulations to investigate the self-assembly of a free-standing graphene nano-ribbon (GNR). It was found that the kinetic pathway of a GNR is dictated by both the complex energy landscape, which drives the GNR towards a low energy regular conformation, and the formation of locking frustrations, which traps the GNR at a metastable state with an irregular conformation. For an initially planar GNR, we observed a regularly folded conformation over a finite range of GNR lengths. Using an energy minimization approach, we were able to predict the number of folds in this regularly folded conformation.
KW - Folding structure
KW - Graphene nano-ribbon
KW - Self-assembly
UR - http://www.scopus.com/inward/record.url?scp=84857047336&partnerID=8YFLogxK
UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-84857047336&origin=recordpage
U2 - 10.1016/j.physleta.2011.12.039
DO - 10.1016/j.physleta.2011.12.039
M3 - RGC 21 - Publication in refereed journal
SN - 0375-9601
VL - 376
SP - 973
EP - 977
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 8-9
ER -