Cargando…

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

The structural, electronic, and optical properties of heterostructures formed by transition metal dichalcogenides MX(2) (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 characterize...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Sake, Tian, Hongyu, Ren, Chongdan, Yu, Jin, Sun, Minglei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6089903/
https://www.ncbi.nlm.nih.gov/pubmed/30104708
http://dx.doi.org/10.1038/s41598-018-30614-3
Descripción
Sumario:The structural, electronic, and optical properties of heterostructures formed by transition metal dichalcogenides MX(2) (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 MoS(2)/ZnO and WS(2)/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 MoSe(2)/ZnO and WSe(2)/ZnO interfaces. Moreover, all heterostructures exhibit excellent optical absorption in the visible and infrared regions, which is vital for optical applications.