TY - JOUR
T1 - Graphene with patterned fluorination : morphology modulation and implications
AU - Zhan, Haifei
AU - Zhang, Guiyong
AU - Bell, John M.
AU - Gu, Yuantong
PY - 2015
Y1 - 2015
N2 - Recent years have witnessed a large volume of works on the modification of graphene; however, an understanding of the associated morphology or mechanical properties changes is still lacking, which is vital for its engineering implementation. By taking the C4F fluorination as an example, we find that the morphology of both graphene sheet (GS) and graphene nanoribbon (GNR) can be effectively tailored by fluorination patterning via molecular dynamics simulations. The fluorine atom produces out-of-plane forces which trigger several intriguing morphology changes to monolayer graphene, including zigzag, folded, ruffle, nanoscroll, and chain structures. Notably, for multilayer GNR, the delamination and climbing phenomena of the surface layer are observed. Further studies show that the fluorination pattern can also be utilized to modulate the mechanical properties of graphene, e.g., about 40% increase of the effective yield strain is observed for the examined GNR with fluorination patterns. This study not only demonstrates the significant impacts on the morphology of graphene from fluorination but also suggests an effective avenue to tailor the morphology and thus mechanical properties of GS and GNR.
AB - Recent years have witnessed a large volume of works on the modification of graphene; however, an understanding of the associated morphology or mechanical properties changes is still lacking, which is vital for its engineering implementation. By taking the C4F fluorination as an example, we find that the morphology of both graphene sheet (GS) and graphene nanoribbon (GNR) can be effectively tailored by fluorination patterning via molecular dynamics simulations. The fluorine atom produces out-of-plane forces which trigger several intriguing morphology changes to monolayer graphene, including zigzag, folded, ruffle, nanoscroll, and chain structures. Notably, for multilayer GNR, the delamination and climbing phenomena of the surface layer are observed. Further studies show that the fluorination pattern can also be utilized to modulate the mechanical properties of graphene, e.g., about 40% increase of the effective yield strain is observed for the examined GNR with fluorination patterns. This study not only demonstrates the significant impacts on the morphology of graphene from fluorination but also suggests an effective avenue to tailor the morphology and thus mechanical properties of GS and GNR.
KW - fluorination
KW - fluorine
KW - graphene
KW - halogenation
KW - morphology
UR - http://handle.westernsydney.edu.au:8081/1959.7/uws:39469
U2 - 10.1021/acs.jpcc.5b09533
DO - 10.1021/acs.jpcc.5b09533
M3 - Article
SN - 1932-7447
VL - 119
SP - 27562
EP - 27568
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 49
ER -