Composition-dependent buckling behaviour of hybrid boron nitride–carbon nanotubes

Literature Information

Publication Date 2015-04-17
DOI 10.1039/C5CP00914F
Impact Factor 3.676
Authors

Jin Zhang, S. A. Meguid


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Abstract

The buckling of hybrid boron nitride–carbon nanotubes (BN–CNTs) with various BN compositions and locations of the BN domain is investigated using molecular dynamics. We find that BN–CNTs with large BN composition (>38%) only undergo local shell-like buckling in their BN domain. Although similar local shell-like buckling can occur in BN–CNTs with a relatively small BN composition, it can transfer to the global column-like buckling of the whole BN–CNT with increasing strains. The critical strains for local shell-like and global column-like buckling decrease with increasing BN composition. In addition, critical strains and buckling modes of the global column-like buckling of BN–CNTs also strongly depend on the location of their BN domain. As a possible application of the buckling of BN–CNTs, we demonstrate that the BN–CNT can serve as a water channel integrated with a local natural valve using the local buckling of its BN domain.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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