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Interfacial Interactions and Enhanced Optoelectronic Properties in CsSnI 3 –Black Phosphorus van der Waals Heterostructures
Author(s) -
Yang DuJuan,
Du YuanHao,
Zhao YuQing,
Yu ZhuoLiang,
Cai MengQiu
Publication year - 2019
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201800540
Subject(s) - heterojunction , monolayer , van der waals force , materials science , band gap , optoelectronics , electric field , nanotechnology , chemical physics , chemistry , molecule , physics , organic chemistry , quantum mechanics
Vertical Van der Waals (vdW) heterostructures, characterized by two‐dimensional materials and halide perovskites, have drawn extensive attention to differences in novel optoelectronic properties for isolated materials. In this paper, the structural, electronic, and optical properties of vdW heterostructures based on γ‐CsSnI 3 and black phosphorus (BP) monolayers are investigated using first‐principle calculations. The calculated results show that the I–Cs are investigated interface heterostructure contacting the BP monolayer has a type‐I band alignment, while the I–Sn interface contacting the BP monolayer heterostructure has a type‐II alignment. In addition, CsSnI 3 –BP heterostructures show superior optical performance compared to CsSnI 3 slabs in visible and ultraviolet spectra. This surprising result is traced to the smaller bandgap of heterostructures compared to that of isolated structures, as well as the inner electric field caused by the potential across the interface, which produces a charge redistribution at the interface and a separation of electron–hole pairs. This work offers a new view to shed light on the interface charge transfer mechanism for hybrid heterostructures with enhanced optical absorption. Therefore, a bandgap‐tunable inorganic perovskite may be attractive for optoelectric applications.