Nov 19, 2019

Band alignment and optical features in Janus-MoSeTe/X(OH)2 (X = Ca, Mg) van der Waals heterostructures

Physical Chemistry Chemical Physics : PCCP
Dat D VoChuong V Nguyen

Abstract

van der Waals heterostructures can be effectively used to enhance the electronic and optical properties and extend the application range of two-dimensional materials. Here, we construct for the first time MoSeTe/X(OH)2 (X = Ca, Mg) heterostructures and investigate their electronic and optical properties as well as the relative orientation of these layers with respect to each other and the effects of an electric field. Our results show that in the MoSeTe/X(OH)2 heterostructures, the Janus MoSeTe monolayer is bonded to the X(OH)2 layer via weak van der Waals forces. Owing to different kinds of chalcogen Se and Te atoms in both sides of Janus MoSeTe, there exist two main stacking types of the MoSeTe/X(OH)2 heterostructures, that are MoSeTe-Se/X(OH)2 and MoSeTe-Te/X(OH)2 heterostructures. Interestingly, the Se- and Te-interface can induce straddling type-II and type-I band alignments. The MoSeTe-Se/X(OH)2 heterostructure exhibits a type-II band alignment, thus endowing it with a potential ability to separate photogenerated electrons and holes. Whereas, the MoSeTe-Te/Ca(OH)2 heterostructure displays a type-I band alignment, which may result in an ultrafast recombination between electrons and holes, making the MoSeTe-Te/Ca(OH)2 heter...Continue Reading

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Citations

Mentioned in this Paper

2-Dimensional
Calcium
Sodium channel, voltage-gated, type II, alpha 1
Recombination, Genetic
Calcium ion
Metals
Megalencephalic Leukoencephalopathy With Subcortical Cysts
Janus kinase
Selenium supplement
Hollow Shape

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