Interlayer interactions in graphite and carbon nanotubes

文献情報

出版日

DOI 10.1039/A905154F

インパクトファクター 3.676

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要旨

A simple tight-binding plus dispersion model is developed to describe the stacking of graphite planes, and then applied to the study of multi-walled carbon nanotubes. According to this model, the variations in the interlayer interaction energy as two nested nanotubes are rotated and translated relative to one another will be far smaller than the variations in the interlayer energy between two sheets of graphite, and multi-walled nanotubes with inter-wall spacings greater than the typical 3.4 Å will tend to deform towards having polygonal cross sections. These predictions are discussed in the light of both earlier theoretical work and recent high-resolution transmission electron microscopy (HRTEM) images of nanotube cross sections.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 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.