Strain engineering of the electro-optical and photocatalytic properties of single-layered Janus MoSSe: First principles calculations

Polarity reversal and strain modulation of Janus MoSSe/GaN polar semiconductor heterostructures

“…In general, the energy levels of both Janus MoSSe and GaN shift downwards under tensile strains, while they shift upwards under compressive strains in all the stacking configurations. Strain modulation on the electronic bandstructures of Janus MoSSe and GaN is consistent with the previous studies, 48,49 which can be combined with polarity design to effectively tune the electronic energy properties of Janus MoSSe/GaN polar heterostructures.…”

Tunable electronic properties and related functional devices for ferroelectric In2Se3/MoSSe van der Waals heterostructures

“…For the MoSSe monolayer, both the VBM and CBM were seated at the G-points, and the value of the direct E g was 1.64 eV (2.08 eV), which basically agreed with the theoretical values (0.81 and 1.54 eV). 43,44 The energy band structures for M1-M4 with the PBE (HSE06) calculation in Fig. 2(c) and (d), and the values of E g were 0.87 (1.49), 0.90 (1.50), 0.56 (0.70), and 0.13 eV (0.47 eV).…”

Metal‐organic framework‐derived two‐dimensional in‐plane Janus catalysts promoting oxygen electroreduction to hydrogen peroxide

“…The electrochemical properties of the materials were verified by electrochemical experiments. According to the literature, Janus materials are widely used in catalytic reactions (CO 2 RR, [12] HER, [13,14] OER, [15] photocatalysis, [16,17] wastewater treatment [18] ) due to their special structure and electronic composition. [19] The intersection of two different crystal structures in Janus materials forms a special electronic structure, [19] which can easily become an active center in electrochemical catalytic reactions.…”