The rotation of fullerene chains in SWNT peapods is studied using low-voltage high resolution transmission electron microscopy. Anisotropic fullerene chain structures (i.e., C300) are formed in situ in carbon nanopeapods via electron beam induced coalescence of individual fullerenes (i.e., C60). A low electron accelerating voltage of 80 kV is used to prevent damage to the SWNT. The large asymmetric C300 fullerene structure exhibits translational motion inside the SWNT and unique corkscrew like rotation motion. Another asymmetric fullerene chain containing mixed fullerene species is prepared by fusing smaller C60 fullerenes to a larger Sc@C82 fullerene, and this also exhibits corkscrew rotational motion. Chains of Sc3C2@C80 in SWNT peapods adopt a zigzag packing structure, and the entire zigzag chain rotates inside the SWNT to induce structural modifications to the SWNT diameter and cross-sectional shape of the SWNT. The expansion and contraction of the diameter of the SWNT is measured as 17%, demonstrating nanoactuation behavior in carbon nanopeapods.
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http://dx.doi.org/10.1021/nl801149z | DOI Listing |
J Phys Condens Matter
May 2023
Applied Physics Department, Gleb Wataghin Institute of Physics-IFGW, University of Campinas-UNICAMP, Rua Sérgio Buarque de Holanda, 777 - Cidade Universitária, Campinas, São Paulo 13083-859, Brazil.
Boron nitride nanotube peapods (BNNT-peapod) are composed of linear chains of Cmolecules encapsulated inside BNNTs, they were first synthesized in 2003. In this work, we investigated the mechanical response and fracture dynamics of BNNT-peapods under ultrasonic velocity impacts (from 1 km sup to 6 km s) against a solid target. We carried out fully atomistic reactive molecular dynamics simulations using a reactive force field.
View Article and Find Full Text PDFInt J Mol Sci
April 2021
Department of Chemistry, Nanoscale Sciences and Technology Institute, Wonkwang University, Iksan, Jeonbuk 54538, Korea.
In previously reported experimental studies, a yield of double-walled carbon nanotubes (DWCNTs) at C@Single-walled carbon nanotubes (SWCNTs) is higher than C@SWCNTs due to the higher sensitivity to photolysis of the former. From the perspective of pyrolysis dynamics, we would like to understand whether C@SWCNT is more sensitive to thermal decomposition than C@SWCNT, and the starting point of DWCNT formation, which can be obtained through the decomposition fragmentation of the nanopeapods, which appears in the early stages. We have studied the fragmentation of C@SWCNT nanopeapods, using molecular dynamics simulations together with the empirical tight-binding total energy calculation method.
View Article and Find Full Text PDFNanoscale
April 2019
State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing, Changping 102249, Beijing, China.
Although transition metal oxide-carbon (TMO-C) composites exhibit high Li storage capacity, the weak bonding between TMO particles and carbon mainly via van der Waals' force and the limited internal void space result in poor rate capability and cycling performance. Herein, MnO@graphene nanopeapods are produced by calcination of hydrothermally-synthesized MnO2-C composites. The flexible graphene shells provide superior conductivity and excellent structural stability to the MnO cores, and the enough internal void space can significantly buffer the drastic volume expansion.
View Article and Find Full Text PDFJ Mol Model
February 2017
Department of Medical Physics and Biomedical Engineering, School of Medicine, Shahid Beheshti University of Medical Sciences, Tehran, Iran.
Raman radial breathing-like mode (RBLM) frequencies of an infinite nanopeapods are calculated within the framework of a continuum-molecular based model. The nanotube-fullerene interaction is modeled via the Lennard-Jones interatomic potential. An analytical formulation is developed and is justified due to its good agreement with the experimental and atomistic-based results.
View Article and Find Full Text PDFJ Nanosci Nanotechnol
November 2015
Partially side-opened carbon nanopeapods show great potential for various applications. Here, we investigated the schematics and energetics of a nonvolatile nanomemory element, based on a C60 fullerene encapsulated in a partially opened carbon nanopeapod, using empirical interatomic interaction potential functions. Bistability of the van der Waals potential energy is achieved from the positional change of the encapsulated C60 fullerene, and the encapsulated C60 fullerene can shuttle between bistable positions, under alternatively applied force fields.
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