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| Author | Verberck, B.; Tarakina, N.V. | ||||
| Title | Tubular fullerenes inside carbon nanotubes : optimal molecular orientation versus tube radius | Type | A1 Journal article | ||
| Year | 2011 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 80 | Issue | 3 | Pages | 355-362 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We present an investigation of the orientations and positions of tubular fullerene molecules (C90, ..., C200) encapsulated in single-walled carbon nanotubes (SWCNT), a series of so-called fullerene nanopeapods. We find that increasing the tube radius leads to the following succession of energetically stable regimes: (1) lying molecules positioned on the tube's long axis; (2) tilted molecules on the tube's long axis; and (3) lying molecules shifted away from the tube's long axis. As opposed to C70 and C80 molecules encapsulated in a SWCNT, standing orientations do not develop. Our results are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods, and also for the interpretation of future experiments on double-walled carbon nanotube formation by annealing fullerene peapod systems. | ||||
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| Publisher | Place of Publication | Berlin | Editor | ||
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Wos | 000289576200010 | Publication Date | 2011-03-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
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| ISSN | 1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 10 | Open Access | |
| Notes | ; This work was financially supported by the Research Foundation – Flanders (FWO-VI). B.V. is a Postdoctoral Fellow of the Research Foundation – Flanders (FWO-VI). ; | Approved | Most recent IF: 1.461; 2011 IF: 1.534 | ||
| Call Number | UA @ lucian @ c:irua:89286 | Serial | 3738 | ||
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