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6CCVD Research

Chiral Pentagon Only Diamond-like Structures

At a Glance

Section titled ā€œAt a Glanceā€
MetadataDetails
Publication Date2017-05-31
JournalThe Journal of Physical Chemistry C
AuthorsXi Zhu, Haibin Su
InstitutionsNanyang Technological University
Citations13

Abstract

Section titled ā€œAbstractā€

Two novel full carbon chiral enantiomers, the CHiral Pentagon Only Diamond-like Structures (CHIPODS) are predicted with space groups P6122 and P6522. The enantiomers can be generated by interlayer covalent bonds in multilayer pentagraphene. Both structures are energetically more favorable than their precursor, pentagraphene. The crystal structures of CHIPODS exhibit intriguing three-dimensional space filling only with pentagons. The mass density (3.24 g/cm3) of CHIPODS is lighter than that in diamond (3.51 g/cm3). CHIPODS is a semiconductor with a bandgap of 5.7 eV, comparable to diamondā€™s gap (5.5 eV). Moreover, the tensile and shear strain-stress simulation results demonstrate that CHIPODS are harder than the diamond in the means of ideal strength. This work highlights the importance of structural transformation from carbon-layered structures to novel carbon allotropes, similar strategy can be applied to other two-dimensional materials.

Tech Support

Section titled ā€œTech Supportā€

Original Source

Section titled ā€œOriginal Sourceā€

References

Section titled ā€œReferencesā€
  1. 1998 - Physical Properties of Carbon Nanotubes [Crossref]

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