Theoretical insight into the hydrogen adsorption on MoS2 (MoSe2) monolayer as a function of biaxial strain/external electric field

The novel two-dimensional photocatalyst SnN3with enhanced visible-light absorption for overall water splitting

“…Molybdenum disulfide (MoS2) is a kind of layered 2D compound of graphene-like, which belongs to hexagonal crystal [8][9][10]. It is the favored catalyst for overall water splitting because of its appropriate chemical potential and band positions [11,12].…”

“…into Se atom to obtain MoSe2 [12]. Based on first-principle calculation, they found MoS2 and MoSe2 monolayers have band gaps of 1.95 eV and 1.40 eV, respectively.…”

“…Molybdenum disulfide (MoS2) is a kind of layered 2D compound of graphene-like, which belongs to hexagonal crystal [8][9][10]. It is the favored catalyst for overall water splitting because of its appropriate chemical potential and band positions [11,12]. However, the poor light absorption capacity in infrared and visible spectrum limit its sunlight utilization, and the recombination of photo-generated electrons and holes resulting in low photocatalytic efficiency.…”

“…However, the poor light absorption capacity in infrared and visible spectrum limit its sunlight utilization, and the recombination of photo-generated electrons and holes resulting in low photocatalytic efficiency. Hu et.al replaced S atom in layered MoS2 into Se atom to obtain MoSe2 [12]. Based on first-principle calculation, they found MoS2 and MoSe2 monolayers have band gaps of 1.95 eV and 1.40 eV, respectively.…”

The highly-efficient light-emitting diodes based on transition metal dichalcogenides: from architecture to performance

“…A series of work has been done on the improvement of the QY of TMDC photoluminescence (PL) and the EQE of TMDC LEDs. 39,99 Monolayer TMDCs usually experience low QY because of the high density of lattice defects. It is advantageous to increase the QY by overcoming the lattice defects.…”