Abstract
Weak interfilament van der Waals interactions are potentially a significant roadblock in the development of carbon nanotube- (CNT-) and graphene-based nanocomposites. Chemical functionalization is envisioned as a means of introducing stronger intermolecular interactions at nanoscale interfaces, which in turn could enhance composite strength. This paper reports measurements of the adhesive energy of CNT-graphite interfaces functionalized with various coverages of arylpropionic acid. Peeling experiments conducted in situ in a scanning electron microscope show significantly larger adhesive energies compared to previously obtained measurements for unfunctionalized surfaces (Roenbeck et al. ACS Nano 2014, 8 (1), 124-138). Surprisingly, however, the adhesive energies are significantly higher when both surfaces have intermediate coverages than when one surface is densely functionalized. Atomistic simulations reveal a novel functional group interdiffusion mechanism, which arises for intermediate coverages in the presence of water. This interdiffusion is not observed when one surface is densely functionalized, resulting in energy trends that correlate with those observed in experiments. This unique intermolecular interaction mechanism, revealed through the integrated experimental-computational approach presented here, provides significant insights for use in the development of next-generation nanocomposites.
| Original language | English |
|---|---|
| Pages (from-to) | 4504-4516 |
| Number of pages | 13 |
| Journal | Nano Letters |
| Volume | 15 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Jul 8 2015 |
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Keywords
- adhesive energy
- atomistic simulations
- Carbon-based nanomaterials
- chemical functionalization
- in situ SEM testing
- surface energy
ASJC Scopus subject areas
- Condensed Matter Physics
- Bioengineering
- Chemistry(all)
- Materials Science(all)
- Mechanical Engineering
Cite this
Molecular-Level Engineering of Adhesion in Carbon Nanomaterial Interfaces. / Roenbeck, Michael R.; Furmanchuk, Al'Ona; An, Zhi; Paci, Jeffrey T.; Wei, Xiaoding; Nguyen, Sonbinh T.; Schatz, George C; Espinosa, Horacio D.
In: Nano Letters, Vol. 15, No. 7, 08.07.2015, p. 4504-4516.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Molecular-Level Engineering of Adhesion in Carbon Nanomaterial Interfaces
AU - Roenbeck, Michael R.
AU - Furmanchuk, Al'Ona
AU - An, Zhi
AU - Paci, Jeffrey T.
AU - Wei, Xiaoding
AU - Nguyen, Sonbinh T.
AU - Schatz, George C
AU - Espinosa, Horacio D.
PY - 2015/7/8
Y1 - 2015/7/8
N2 - Weak interfilament van der Waals interactions are potentially a significant roadblock in the development of carbon nanotube- (CNT-) and graphene-based nanocomposites. Chemical functionalization is envisioned as a means of introducing stronger intermolecular interactions at nanoscale interfaces, which in turn could enhance composite strength. This paper reports measurements of the adhesive energy of CNT-graphite interfaces functionalized with various coverages of arylpropionic acid. Peeling experiments conducted in situ in a scanning electron microscope show significantly larger adhesive energies compared to previously obtained measurements for unfunctionalized surfaces (Roenbeck et al. ACS Nano 2014, 8 (1), 124-138). Surprisingly, however, the adhesive energies are significantly higher when both surfaces have intermediate coverages than when one surface is densely functionalized. Atomistic simulations reveal a novel functional group interdiffusion mechanism, which arises for intermediate coverages in the presence of water. This interdiffusion is not observed when one surface is densely functionalized, resulting in energy trends that correlate with those observed in experiments. This unique intermolecular interaction mechanism, revealed through the integrated experimental-computational approach presented here, provides significant insights for use in the development of next-generation nanocomposites.
AB - Weak interfilament van der Waals interactions are potentially a significant roadblock in the development of carbon nanotube- (CNT-) and graphene-based nanocomposites. Chemical functionalization is envisioned as a means of introducing stronger intermolecular interactions at nanoscale interfaces, which in turn could enhance composite strength. This paper reports measurements of the adhesive energy of CNT-graphite interfaces functionalized with various coverages of arylpropionic acid. Peeling experiments conducted in situ in a scanning electron microscope show significantly larger adhesive energies compared to previously obtained measurements for unfunctionalized surfaces (Roenbeck et al. ACS Nano 2014, 8 (1), 124-138). Surprisingly, however, the adhesive energies are significantly higher when both surfaces have intermediate coverages than when one surface is densely functionalized. Atomistic simulations reveal a novel functional group interdiffusion mechanism, which arises for intermediate coverages in the presence of water. This interdiffusion is not observed when one surface is densely functionalized, resulting in energy trends that correlate with those observed in experiments. This unique intermolecular interaction mechanism, revealed through the integrated experimental-computational approach presented here, provides significant insights for use in the development of next-generation nanocomposites.
KW - adhesive energy
KW - atomistic simulations
KW - Carbon-based nanomaterials
KW - chemical functionalization
KW - in situ SEM testing
KW - surface energy
UR - http://www.scopus.com/inward/record.url?scp=84936867212&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84936867212&partnerID=8YFLogxK
U2 - 10.1021/acs.nanolett.5b01011
DO - 10.1021/acs.nanolett.5b01011
M3 - Article
VL - 15
SP - 4504
EP - 4516
JO - Nano Letters
JF - Nano Letters
SN - 1530-6984
IS - 7
ER -