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Cited by 258

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Heterostructures of transition metal dichalcogenides

Amin, B., Singh, N., Schwingenschlögl, U.·2015·Physical Review B

Abstract

The structural, electronic, optical, and photocatalytic properties of out-of-plane and in-plane heterostructures of transition metal dichalcogenides are investigated by (hybrid) first principles calculations. The out-of-plane heterostructures are found to be indirect band gap semiconductors with type-II band alignment. Direct band gaps can be achieved by moderate tensile strain in specific cases. The excitonic peaks show blueshifts as compared to the parent monolayer systems, whereas redshifts occur when the chalcogen atoms are exchanged along the series S-Se-Te. Strong absorption from infrared to visible light as well as excellent photocatalytic properties can be achieved.

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Metadata

Authors
Amin, B., Singh, N., & Schwingenschlögl, U.
Venue
Physical Review B
Published
2015-08-24
Volume
92
Issue
7
ISSN
  • 1098-0121 (ISSN-L)
  • 1550-235X
OpenAlex
W2566252739
Cited by
258
References
44
FWCI
8.39
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Heterostructures of transition metal dichalcogenides. https://app.cochat.ai/papers/10.1103/physrevb.92.075439
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Amin, B., Singh, N., & Schwingenschlögl, U. (2015). Heterostructures of transition metal dichalcogenides. Physical Review B. https://doi.org/10.1103/physrevb.92.075439

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