Brazilian authors acknowledge funding from CNPq (grant 307317/2010-2, INCT NanoBioSimes) and Central Analítica-UFC/CT-INFRA-FINEP/Pró-Equipamentos-CAPES/CNPq-SisNano-MCTI (grant 402284/2013-5). R. S. Alencar is also in debt to Coordenação de Aperfeiçoamento de Pessoal de Nível Superior under the grant No. 99999.004227/2014-00 for financial support. Alexander Soldatov (University of Lulea, Sweden) is warmly acknowledged for discussions on the RBM Raman spectra interpretation at the collapse region

A. San-Miguel

A. Weibel

A.C. Torres-Dias

A.G. Souza Filho

Aguiar

Alencar

Alvarez

Anis

Arvanitidis

Balima

Botti

Caillier

Cambré

Carman

Cerqueira

Ch Laurent

D. Machon

D.J. Dunstan

del Corro

Djondjorov

Dunstan

Elliott

Flahaut

Frenzel

Ghandour

Jorio

Krishnan

Lebedkin

Lévy

Malola

Merlen

Miguel A.L. Marques

O.P. Ferreira

Peralta-Inga

Perebeinos

Peters

Popov

Porezag

Puech

R.S. Alencar

Rols

Seifert

Silvana Botti

Sood

Tiago F.T. Cerqueira

Torres-Dias

Vassilev

Venkateswaran

Wenwen Cui

Yang

Zang

Zheng

Carbon

English

International audienceWe 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

Alencar, Rafael S.

Cui, Wenwen

Torres-Dias, Abraao C.

Cerqueira, Tiago F.T.

Botti, Silvana

Marques, Miguel A.L.

Ferreira, Odair

Laurent, Christophe

Weibel, Alicia

Machon, Denis

Dunstan, David J.

Souza Filho, A.G.

San-Miguel, Alfonso

Hal-Diderot

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

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

Open Archive Toulouse Archive Ouverte

Alencar, RS

Cui, W

Torres-Dias, AC

Cerqueira, TFT

Botti, S

Marques, MAL

Ferreira, OP

Laurent, C

Weibel, A

Machon, D

Dunstan, DJ

Souza Filho, AG

San-Miguel, A

Queen Mary Research Online

Crossref

https://qmro.qmul.ac.uk/xmlui/bitstream/123456789/25896/1/Dunstan%20Pressure-induced%20radial%202017%20Accepted.pdf

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

Abstract

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Hal-Diderot

Open Archive Toulouse Archive Ouverte

Queen Mary Research Online

Crossref