Topological Structure

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Author(s)

Detail(s)

Original languageEnglish
Title of host publicationCarbon Nanothreads Materials
Place of PublicationSingapore
PublisherSpringer 
Pages45-68
ISBN (Electronic)9789811909122
ISBN (Print)9789811909115, 9789811909146
Publication statusPublished - 2022

Publication series

NameMaterials Horizons: From Nature to Nanomaterials
ISSN (Print)2524-5384
ISSN (Electronic)2524-5392

Abstract

Slow decompression of crystalline benzene will bring difficulties in controlling the bonding geometries of carbon nanothreads, resulting in various topological structures at atomistic level. Topological analysis shows that there are 50 kinds of topologically distinct carbon nanothreads, and Euler’s rules for identifying these regular nanostructures are introduced. The binding energy and structural stabilities of various diamond nanothreads are analyzed from first-principle calculation results. The effects of stone–wales defects and chemical doping on the structural stability of diamond nanothreads are discussed. The formation process and controlled phase diagram of carbon nanothreads from atomistic insights are predicted using density functional theory.

Research Area(s)

  • Binding energy, First-principle calculation, Formation theory, Structural stability, Topological structure

Citation Format(s)

Topological Structure. / Liew, Kim Meow; Ji, Wei-Ming; Zhang, Lu-Wen.
Carbon Nanothreads Materials. Singapore: Springer , 2022. p. 45-68 (Materials Horizons: From Nature to Nanomaterials).

Research output: Chapters, Conference Papers, Creative and Literary WorksChapter in research book/monograph/textbook (Author)peer-review