Interlayer-State-Coupling Dependent Ultrafast Charge Transfer in MoS₂/WS₂ Bilayers.

ABSTRACT: Light-induced interlayer ultrafast charge transfer in 2D heterostructures provides a new platform for optoelectronic and photovoltaic applications. The charge separation process is generally hypothesized to be dependent on the interlayer stackings and interactions, however, the quantitative characteristic and detailed mechanism remain elusive. Here, a systematical study on the interlayer charge transfer in model MoS₂/WS₂ bilayer system with variable stacking configurations by time-dependent density functional theory methods is demonstrated. The results show that the slight change of interlayer geometry can significantly modulate the charge transfer time from 100 fs to 1 ps scale. Detailed analysis further reveals that the transfer rate in MoS₂/WS₂

SUBMITTER: Zhang J 

PROVIDER: S-EPMC5604380 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature