| Records |
Author  |
Pandey, T.; Covaci, L.; Peeters, F.M. |
| Title |
Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
171 |
Issue |
|
Pages |
551-559 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dependence of the bending induced out of plane polarization on the applied strain gradient is found. The inferior flexoelectric properties of graphene nanoribbons can be improved by more than two orders of magnitude by hydrogen and fluorine functionalization (CH and CF nanoribbons). A large out of plane flexoelectric effect is predicted for CF nanoribbons. The origin of this enhancement lies in the electro-negativity difference between carbon and fluorine atoms, which breaks the out of plane charge symmetry even for a small strain gradient. The flexoelectric effect can be further improved by co-functionalization with hydrogen and fluorine (CHF Janus-type nanoribbon), where a spontaneous out of plane dipole moment is formed even for flat nanoribbons. We also find that bending can control the charge localization of valence band maxima and therefore enables the tuning of the hole effective masses and band gaps. These results present an important advance towards the understanding of flexoelectric and electronic properties of hydrogen and fluorine functionalized graphene nanoribbons, which can have important implications for flexible electronic applications. (C) 2020 Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000598371500058 |
Publication Date |
2020-09-17 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
15 |
Open Access |
OpenAccess |
| Notes |
; The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Flemish Science Foundation (FWO-VI). T. P. is supported by a postdoctoral research fellowship from BOF-UAntwerpen. ; |
Approved |
Most recent IF: 6.337 |
| Call Number |
UA @ admin @ c:irua:175014 |
Serial |
6700 |
| Permanent link to this record |
| |
|
| |
| Author |
Pierard, N.; Fonseca, A.; Colomer, J.-F.; Bossuot, C.; Benoit, J.-M.; Van Tendeloo, G.; Pirard, J.-P.; Nagy, J.B. |
| Title |
Ball milling effect on the structure of single-wall carbon nanotubes |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
42 |
Issue |
8/9 |
Pages |
1691-1697 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000221948000035 |
Publication Date |
2004-04-09 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
133 |
Open Access |
|
| Notes |
Pai/Iuap P5/01 |
Approved |
Most recent IF: 6.337; 2004 IF: 3.331 |
| Call Number |
UA @ lucian @ c:irua:54866 |
Serial |
213 |
| Permanent link to this record |
| |
|
| |
| Author |
Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. |
| Title |
Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
65 |
Issue |
|
Pages |
269-276 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000326773200031 |
Publication Date |
2013-08-23 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
21 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337; 2013 IF: 6.160 |
| Call Number |
UA @ lucian @ c:irua:112697 |
Serial |
2635 |
| Permanent link to this record |
| |
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| |
| Author |
Suarez-Martinez, I.; Bittencourt, C.; Ke, X.; Felten, A.; Pireaux, J.J.; Ghijsen, J.; Drube, W.; Van Tendeloo, G.; Ewels, C.P. |
| Title |
Probing the interaction between gold nanoparticles and oxygen functionalized carbon nanotubes |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
47 |
Issue |
6 |
Pages |
1549-1554 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The interaction between evaporated gold and pristine or oxygen plasma treated multi-walled carbon nanotubes (MWCNTs) is investigated. Experimental and theoretical results indicate that gold nucleation occurs at defect sites, whether initially present or introduced by oxygen plasma treatment. Uniform gold cluster dispersion is observed on plasma treated carbon nanotubes (CNTs) and associated with the presence of uniformly dispersed oxidized vacancy centres on the CNT surface. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000265518700018 |
Publication Date |
2009-02-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
38 |
Open Access |
|
| Notes |
Pai |
Approved |
Most recent IF: 6.337; 2009 IF: 4.504 |
| Call Number |
UA @ lucian @ c:irua:77267 |
Serial |
2717 |
| Permanent link to this record |
| |
|
| |
| Author |
Tao, X.Y.; Zhang, X.B.; Zhang, L.; Cheng, J.P.; Liu, F.; Luo, J.H.; Luo, Z.Q.; Geise, H.J. |
| Title |
Synthesis of multi-branched porous carbon nanofibers and their application in electrochemical double-layer capacitors |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
44 |
Issue |
8 |
Pages |
1425-1428 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000237765000008 |
Publication Date |
2006-01-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
77 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337; 2006 IF: 3.884 |
| Call Number |
UA @ lucian @ c:irua:59477 |
Serial |
3458 |
| Permanent link to this record |
| |
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| |
| Author |
Tikhomirov, A.S.; Sorokina, N.E.; Shornikova, O.N.; Morozov, V.A.; Van Tendeloo, G.; Avdeev, V.V. |
| Title |
The chemical vapor infiltration of exfoliated graphite to produce carbon/carbon composites |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
49 |
Issue |
1 |
Pages |
147-153 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Chemical vapor infiltration was used for the production of carbon/carbon composites based on exfoliated graphite and pyrolytic carbon Two different exfoliated graphites compacted to densities of 0 05-0 4 g/cm(3) were used as a preform The influence of the synthesis conditions (temperature, pressure, time etc) on the degree of infiltration, the pyrolytic carbon morphology and the C/C composite characteristics was examined using Raman spectroscopy, scanning electron microscopy and low-temperature nitrogen adsorption (C) 2010 Elsevier Ltd All rights reserved |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000284977500021 |
Publication Date |
2010-09-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
7 |
Open Access |
|
| Notes |
Iap |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
| Call Number |
UA @ lucian @ c:irua:99185 |
Serial |
354 |
| Permanent link to this record |
| |
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| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
sp3/sp2 characterization of carbon materials from first-principles calculations: X-ray photoelectron versus high energy electron energy-loss spectroscopy techniques |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
43 |
Issue |
6 |
Pages |
1311-1316 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000228676400022 |
Publication Date |
2005-02-18 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
70 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337; 2005 IF: 3.419 |
| Call Number |
UA @ lucian @ c:irua:51762 |
Serial |
3558 |
| Permanent link to this record |
| |
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| |
| Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
| Title |
Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
47 |
Issue |
10 |
Pages |
2501-2510 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000268429000025 |
Publication Date |
2009-05-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
12 |
Open Access |
|
| Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 6.337; 2009 IF: 4.504 |
| Call Number |
UA @ lucian @ c:irua:77973 |
Serial |
638 |
| Permanent link to this record |
| |
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| |
| Author |
Van Tendeloo, G.; Bernaerts, D.; Amelinckx, S. |
| Title |
Reduced dimensionality in different forms of carbon |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
36 |
Issue |
5/6 |
Pages |
487-493 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000074824600003 |
Publication Date |
2002-07-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337; 1998 IF: 1.293 |
| Call Number |
UA @ lucian @ c:irua:25662 |
Serial |
2851 |
| Permanent link to this record |
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| |
| Author |
Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P. |
| Title |
A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
49 |
Issue |
6 |
Pages |
2007-2021 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We present Monte Carlo simulations of chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). For various tube radii R (6.5 Å less-than-or-equals, slant R less-than-or-equals, slant 7.5 Å), we analyze rotational and translational motion of the C70 molecules, as a function of temperature. Apart from reproducing the experimentally well-established lying and standing molecular orientations for small and large tube radii, respectively, we observe, depending on the tube diameter, a variety of molecular motions, orientational flipping of lying molecules, and the migration of molecules resulting in a continual rearrangement of the C70 molecules in clusters of varying lengths. With increasing temperature, the evolution of the pair correlation functions reveals a transition from linear harmonic chain behavior to a hard-sphere liquid, making C70@SWCNT peapods tunable physical realizations of two well-known one-dimensional model systems. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000288689900025 |
Publication Date |
2011-01-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
10 |
Open Access |
|
| Notes |
; Helpful discussions with K.H. Michel, P.-A. Albouy and C. Bousige are greatly acknowledged. This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
| Call Number |
UA @ lucian @ c:irua:89660 |
Serial |
2201 |
| Permanent link to this record |
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| |
| Author |
Veronesi, S.; Pfusterschmied, G.; Fabbri, F.; Leitgeb, M.; Arif, O.; Esteban, D.A.; Bals, S.; Schmid, U.; Heun, S. |
| Title |
3D arrangement of epitaxial graphene conformally grown on porousified crystalline SiC |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
189 |
Issue |
|
Pages |
210-218 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000760358800008 |
Publication Date |
2021-12-17 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
10.9 |
Times cited |
3 |
Open Access |
OpenAccess |
| Notes |
Horizon 2020; European Commission; Horizon 2020 Framework Programme; European Research Council, 128 731 019 ; European Research Council, REALNANO 815 128 ; sygmaSB |
Approved |
Most recent IF: 10.9 |
| Call Number |
EMAT @ emat @c:irua:186583 |
Serial |
6952 |
| Permanent link to this record |
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| Author |
Zhang, X.F.; Zhang, X.B.; Van Tendeloo, G.; Meijer, G. |
| Title |
“Harmless” carbon tubes around “dangerous” asbestos fibres |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
32 |
Issue |
|
Pages |
363-366 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
A1994NC96800026 |
Publication Date |
2003-06-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.196 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # |
| Call Number |
UA @ lucian @ c:irua:10029 |
Serial |
1411 |
| Permanent link to this record |
