Understanding the formation process of exceptionally long fullerene-based nanowires

Ilia Solov'yov, Junfeng Geng, Andrey V. Solov'yov, Brian F.G. Johnson

Publikation: Bidrag til bog/antologi/rapport/konference-proceedingKonferencebidrag i proceedingsForskningpeer review

Resumé

In a recent study J. Geng, W. Zhou, P. Skelton, W. Yue, I. Kinloch, A.Windle, and B. Johnson, J. Am. Chem. Soc. 130, 2527 (2008)., it was demonstrated that exceptionally long fullerene nanowires, with a length-to-width aspect ratio as large as $3000-5000, can be grown from 1,2,4-trimethylbenzene solution of C$_60$. We have performed a thorough theoretical analysis, aiming at gaining an in-depth understanding of the exceptionally large aspect ratio of C$_60$-based nanowires. By accounting for different interactions in the system we have calculated the structures of the unit cell and determined the role of the fullerene and of the solvent molecules in the crystallization process of the nanowires. We have calculated the adhesion energy of C$_60$ molecules to the nanowire surface, and on the basis of this explained the growth anisotropy of the crystal. To get a more profound understanding of the nanowire growth mechanism we have also considered the influence of electron polarization on the growth anisotropy and studied the possible polymerization reactions occurred between the C$_60$ and the solvent molecules.
OriginalsprogEngelsk
TitelAIP Conference Proceedings
Vol/bind1197
Publikationsdato2009
Sider89-102
StatusUdgivet - 2009

Fingeraftryk

fullerenes
nanowires
aspect ratio
molecules
anisotropy
adhesion
polymerization
crystallization
polarization
cells
crystals
electrons
interactions
energy

Citer dette

Solov'yov, I., Geng, J., Solov'yov, A. V., & Johnson, B. F. G. (2009). Understanding the formation process of exceptionally long fullerene-based nanowires. I AIP Conference Proceedings (Bind 1197, s. 89-102)
Solov'yov, Ilia ; Geng, Junfeng ; Solov'yov, Andrey V. ; Johnson, Brian F.G. / Understanding the formation process of exceptionally long fullerene-based nanowires. AIP Conference Proceedings. Bind 1197 2009. s. 89-102
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Solov'yov, I, Geng, J, Solov'yov, AV & Johnson, BFG 2009, Understanding the formation process of exceptionally long fullerene-based nanowires. i AIP Conference Proceedings. bind 1197, s. 89-102.

Understanding the formation process of exceptionally long fullerene-based nanowires. / Solov'yov, Ilia; Geng, Junfeng; Solov'yov, Andrey V.; Johnson, Brian F.G.

AIP Conference Proceedings. Bind 1197 2009. s. 89-102.

Publikation: Bidrag til bog/antologi/rapport/konference-proceedingKonferencebidrag i proceedingsForskningpeer review

TY - GEN

T1 - Understanding the formation process of exceptionally long fullerene-based nanowires

AU - Solov'yov, Ilia

AU - Geng, Junfeng

AU - Solov'yov, Andrey V.

AU - Johnson, Brian F.G.

PY - 2009

Y1 - 2009

N2 - In a recent study J. Geng, W. Zhou, P. Skelton, W. Yue, I. Kinloch, A.Windle, and B. Johnson, J. Am. Chem. Soc. 130, 2527 (2008)., it was demonstrated that exceptionally long fullerene nanowires, with a length-to-width aspect ratio as large as $3000-5000, can be grown from 1,2,4-trimethylbenzene solution of C$_60$. We have performed a thorough theoretical analysis, aiming at gaining an in-depth understanding of the exceptionally large aspect ratio of C$_60$-based nanowires. By accounting for different interactions in the system we have calculated the structures of the unit cell and determined the role of the fullerene and of the solvent molecules in the crystallization process of the nanowires. We have calculated the adhesion energy of C$_60$ molecules to the nanowire surface, and on the basis of this explained the growth anisotropy of the crystal. To get a more profound understanding of the nanowire growth mechanism we have also considered the influence of electron polarization on the growth anisotropy and studied the possible polymerization reactions occurred between the C$_60$ and the solvent molecules.

AB - In a recent study J. Geng, W. Zhou, P. Skelton, W. Yue, I. Kinloch, A.Windle, and B. Johnson, J. Am. Chem. Soc. 130, 2527 (2008)., it was demonstrated that exceptionally long fullerene nanowires, with a length-to-width aspect ratio as large as $3000-5000, can be grown from 1,2,4-trimethylbenzene solution of C$_60$. We have performed a thorough theoretical analysis, aiming at gaining an in-depth understanding of the exceptionally large aspect ratio of C$_60$-based nanowires. By accounting for different interactions in the system we have calculated the structures of the unit cell and determined the role of the fullerene and of the solvent molecules in the crystallization process of the nanowires. We have calculated the adhesion energy of C$_60$ molecules to the nanowire surface, and on the basis of this explained the growth anisotropy of the crystal. To get a more profound understanding of the nanowire growth mechanism we have also considered the influence of electron polarization on the growth anisotropy and studied the possible polymerization reactions occurred between the C$_60$ and the solvent molecules.

M3 - Article in proceedings

VL - 1197

SP - 89

EP - 102

BT - AIP Conference Proceedings

ER -

Solov'yov I, Geng J, Solov'yov AV, Johnson BFG. Understanding the formation process of exceptionally long fullerene-based nanowires. I AIP Conference Proceedings. Bind 1197. 2009. s. 89-102