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Electronic and optical properties of heterostructures based on transition metal dichalcogenides and graphene-like zinc oxide.

ABSTRACT: The structural, electronic, and optical properties of heterostructures formed by transition metal dichalcogenides MX₂ (M = Mo, W; X = S, Se) and graphene-like zinc oxide (ZnO) were investigated using first-principles calculations. The interlayer interaction in all heterostructures was characterized by van der Waals forces. Type-II band alignment occurs at the MoS₂/ZnO and WS₂/ZnO interfaces, together with the large built-in electric field across the interface, suggesting effective photogenerated-charge separation. Meanwhile, type-I band alignment occurs at the MoSe₂/ZnO and WSe₂/ZnO interfaces. Moreover, all heterostructures exhibit excellent optical absorption in the visible and infrared regions, which is vital for optical applications.

SUBMITTER: Wang S

PROVIDER: S-EPMC6089903 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature

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Electronic and optical properties of heterostructures based on transition metal dichalcogenides and graphene-like zinc oxide.

Wang Sake S Tian Hongyu H Ren Chongdan C Yu Jin J Sun Minglei M

Scientific reports 20180813 1

The structural, electronic, and optical properties of heterostructures formed by transition metal dichalcogenides MX2 (M = Mo, W; X = S, Se) and graphene-like zinc oxide (ZnO) were investigated using first-principles calculations. The interlayer interaction in all heterostructures was characterized by van der Waals forces. Type-II band alignment occurs at the MoS2/ZnO and WS2/ZnO interfaces, together with the large built-in electric field across the interface, su ...[more]

PMID: 30104708

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