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Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study

Alencar, Rafael S. and Cui, Wenwen and Torres-Dias, Abraao C. and Cerqueira, Tiago F.T. and Botti, Silvana and Marques, Miguel A.L. and Ferreira, Odair and Laurent, Christophe and Weibel, Alicia and Machon, Denis and Dunstan, David J. and Souza Filho, A.G. and San-Miguel, Alfonso Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study. (2017) Carbon, 125. 429-436. ISSN 0008-6223

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Official URL: https://doi.org/10.1016/j.carbon.2017.09.044

Abstract

We study the pressure induced collapse of single-, double- and triple-wall carbon nanotubes. Theoretical simulations were performed using density-functional tight-binding theory. For tube walls separated by the graphitic distance, we show that the radial collapse pressure, Pc, is mainly determined by the diameter of the innermost tube, din and that its value significantly deviates from the usual Pc∝din−3 Lévy-Carrier law. A modified expression, Pcdin−3=α(1−β2∕din2) with α and β numerical parameters, which reduces the collapse pressure for low diameters is proposed. For din ≳ 1.5 nm an enhanced stability is found which may be assigned as due to the bundle intertube geometry-induced interactions. If the inner and outer tubes are separated by larger distances, the collapse process is found to be more complex. High-pressure resonant Raman experiments were performed in double-wall carbon nanotubes having inner and outer diameters averaging 1.5 nm and 2.0 nm, respectively. A modification in the response of the G-band and the disappearance of the radial breathing modes between 2 GPa and 5 GPa indicate the beginning and the end of the radial collapse process. Experimental results are in good agreement with our theoretical predictions, but do not allow to discriminate from those corresponding to a continuum mechanics model.

Item Type:Article
HAL Id:hal-01963047
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT (FRANCE)
Other partners > Martin-Luther-Universität Halle-Wittenberg - MLU (GERMANY)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UPS (FRANCE)
Other partners > Queen Mary University of London - QMUL (UNITED KINGDOM)
Other partners > Universidade Federal do Ceará (BRAZIL)
Other partners > Friedrich-Schiller-Universität Jena (GERMANY)
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Deposited By: cirimat webmestre
Deposited On:21 Dec 2018 08:52

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