Modulated electronic and optical properties of bilayer/trilayer Blue Phosphorene/MoX2 (X=S, Se) van der Waals heterostructures

Tunability of electronic properties in the 2D MoS2/α-tellurene/WS2 heterotrilayer via biaxial strain and electric field

“…According to eqn (1), the binding energies of the two heterotrilayers are calculated to be À124.37 and À126.03 meV Å À2 , respectively. These values are in the same order of magnitude as those previously reported for bilayer and trilayer heterostructures, 68,69 and the negative binding energies verify the feasibility of the experimental preparation process. Additionally, we measured the interlayer distance as 3.38/3.34 It has an indirect band gap of 0.82 (0.77) eV, which is slightly larger (smaller) than that of the a-Te monolayer.…”

Structural, Electronic and Optical Properties of Some New Trilayer Van de Waals Heterostructures

“…The whole trilayer heterostructure possesses an indirect band gap of 1.2632 eV, smaller than that of the bilayer BlueP/MoS 2 , 1.3746 eV. It falls in between the BlueP/MoS 2 /BlueP of 1.013 eV and MoS 2 /BlueP/MoS 2 of 1.561 eV reported by Han et al[46], again implying the further effective tuning by such an asymmetric trilayer heterostructure. The BP(BlueP) and MoS 2 bandgap decrease as they compose bilayer or trilayer heterostructures, which can be attributed to ~2.5% and ~2% lattice mismatch and a weak vdW force[35].…”

“…As is known, BP/MoS 2 [38], graphene/MoS 2 [59], graphene/BP [39] bilayer heterostructures, and TMD/graphene/MoS 2 [51] trilayer heterostructures have been successfully fabricated using physical and chemical methods including mechanical stripping, liquid-phase stripping, hydrothermal and chemical vapor deposition. BlueP 2D monolayer has been well fabricated by molecular beam epitaxy [60], and the possibility to form its heterostructure with other 2D materials has been stated by a few studies [37,46]. Combining together the above fabrication abilities and considering the confirmed structure stability, the preparation of our proposed vdW heterostructures will be experimentally feasible.…”

“…Liu et al proposed trilayer heterostructures MoS 2 /SiC/MoS 2 and SiC/MoS 2 /SiC, and predicted their strain-induced tunable band structure promising for future optoelectronic devices [45]. Calculation on BlueP/MoX 2based trilayer heterostructures demonstrated the excellent ability to accelerate the separation of photo-generated electron-hole pairs and the controllable power conversion efficiency indicating great potential for photocatalysis and photovoltaics [46]. BN/graphene/BN was proposed and simulated to open the graphene bandgap and enhance the application potential for radio-frequency devices and switching transistors [47,48].…”