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Thickness Dependent Ultrafast Charge Transfer in BP/MoS2 Heterostructure
Abstract Constructing high-performance-2D van der Waals heterostructures and deciphering the underlying microscopic mechanism of carrier dynamics are crucial in optoelectronic and photovoltaic applications. Here, taking black phosphorus (BP)/MoS2 heterostructure with type-II band alignment as a prototypical example, the ab initio nonadiabatic molecular dynamics simulations demonstrate that the interlayer carrier dynamics are thickness dependent.
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