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Ding, Feng
IBS - Center for Multidimensional Carbon Materials (CMCM)
Research Interests
  • Theoretical methods development for materials studies.
  • The formation mechanism of various carbon materials, from fullerene to carbon nanotube and graphene.
  • Kinetics and thermodynamics of materials growth and etching.
  • The structure, properties and fundamentals of nanomaterials.
  • The experimental synthesis of carbon nanotubes.

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Borophene with Large Holes

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Title
Borophene with Large Holes
Author
Wang, YongPark, YunjaeQiu, LuMitchell, IzaacDing, Feng
Issue Date
2020-08
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.11, no.15, pp.6235 - 6241
Abstract
In two-dimensional (2D) borophene, the structural transition from triangular lattice to hexagonal lattice with an increase in vacancy concentration is a basic principle of constructing various borophene isomers. Here, by performing an extensive structural search of 4239 borophene isomers with both hexagonal holes (HHs) and large holes (LHs), we show that the structural transformation from triangular lattice to borophene with large holes is energetically more favorable. Borophene isomers with LHs are more stable than those with only HHs at high vacancy concentrations (>20%) and are just slightly less stable than those with only HHs at low vacancy concentrations. This discovery greatly expands the family of 2D borophene and opens a route for synthesizing new borophene isomers.
URI
https://scholarworks.unist.ac.kr/handle/201301/48220
URL
https://pubs.acs.org/doi/10.1021/acs.jpclett.0c01359
DOI
10.1021/acs.jpclett.0c01359
ISSN
1948-7185
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