Reconfiguring crystal and electronic structures of MoS2 by substitutional doping

Joonki Suh, Teck Leong Tan, Weijie Zhao, Joonsuk Park, Der Yuh Lin, Tae Eon Park, Jonghwan Kim, Chenhao Jin, Nihit Saigal, Sandip Ghosh, Zicong Marvin Wong, Yabin Chen, Feng Wang, Wladyslaw Walukiewicz, Goki Eda, Junqiao Wu

Research output: Contribution to journalArticlepeer-review

51 Citations (Scopus)


Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valence band maximum of multilayer MoS2 at the Γ point pushed upward by hybridization with the Nb states. When thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.

Original languageEnglish
Article number199
JournalNature Communications
Issue number1
Publication statusPublished - 2018 Dec 1

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Physics and Astronomy(all)

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