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27 April 2024 |
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Article overview
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Niobium doping induced mirror twin boundaries in MBE grown WSe2 monolayers | | Bo Wang
; Yipu Xia
; Junqiu Zhang
; Hannu-Pekka Komsa
; Maohai Xie
; Yong Peng
; Chuanhong Jin
; | | Date: |
15 Jan 2020 | | Abstract: | Mirror twin boundary (MTB) brings unique 1D physics and properties into
two-dimensional transition metal dichalcogenides (TMDCs), but they were rarely
observed in non-Mo-based TMDCs. Herein, by post-growth Nb doping, high density
4|4E-W and 4|4P-Se MTBs were introduced into molecular beam epitaxy (MBE) grown
WSe2 monolayers. Of them, 4|4E-W MTB with a novel structure was discovered
experimentally for the first time, while 4|4P-Se MTBs present a random
permutations of W and Nb, forming a 1D alloy system. Comparison between the
doped and non-doped WSe2 confirmed that Nb dopants are essential for MTB
formation. Furthermore, quantitative statistics reveal the areal density of
MTBs is directly proportional to the concentration of Nb dopants. To unravel
the injection pathway of Nb dopants, first-principles calculations about a set
of formation energies for excess Nb atoms with different configurations were
conducted, based on which a model explaining the origin of MTBs introduced by
excess metal was built. We conclude that the formation of MTBs is mainly driven
by the collective evolution of excess Nb atoms introduced into the lattice of
host WSe2 crystal and subsequent displacement of metal atoms (W or Nb). This
study provides a novel way to tailor the MTBs in 2D TMDC materials via proper
metal doping and presents a new opportunities for exploring the intriguing
properties. | | Source: | arXiv, 2001.5345 | | Services: | Forum | Review | PDF | Favorites | |
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