Chemical Selectivity at Grain Boundary Dislocations in Monolayer Mo1-xWxS2 Transition Metal Dichalcogenides

Ziqian Wang, Yuhao Shen, Shoucong Ning, Yoshikazu Ito, Pan Liu, Zheng Tang, Takeshi Fujita, Akihiko Hirata, Mingwei Chen

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


Grain boundaries (GBs) are unavoidable crystal defects in polycrystalline materials and significantly influence their properties. However, the structure and chemistry of GBs in 2D transition metal dichalcogenide alloys have not been well established. Here we report significant chemical selectivity of transition metal atoms at GB dislocation cores in Mo1-xWxS2 monolayers. Different from classical elastic field-driven dislocation segregation in bulk crystals, the chemical selectivity in the 2D crystals originates prominently from variation of atomic coordination numbers at dislocation cores. This observation provides atomic insights into the topological effect on the chemistry of crystal defects in 2D materials.

Original languageEnglish
Pages (from-to)29438-29444
Number of pages7
JournalACS Applied Materials and Interfaces
Issue number35
Publication statusPublished - 2017 Sep 6
Externally publishedYes


  • chemical selectivity
  • dislocation
  • grain boundary
  • transition metal dichalcogenide
  • two-dimensional materials

ASJC Scopus subject areas

  • Materials Science(all)


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