First-principles calculations to investigate electronic structures, ferromagnetic and optical properties of SnSe2 doped with double impurities

Fabrication of Sulfur Defect Rich ZnIn2S4/SnSe2 Photocatalyst with Ohmic Junction for Efficient Water to Hydrogen Energy Conversion

“…On the other hand, from the perspective of crystalline structure, hexagonal SnSe 2 with layered CdI 2 ‐type structure belongs to the space group of P ‐3m1(164), which is the same with that of hexagonal ZnIn 2 S 4 . Besides that, the lattice parameter of SnSe 2 ( a = b = 3.87 Å, c = 6.164 Å, α = β = 90°, γ = 120°) [ 33 ] also matches well with that of ZnIn 2 S 4 ( a = b = 3.85 Å, c = 24.68 Å, α = β = 90°, γ = 120°), [ 34 ] which offers a superior precondition for attaching SnSe 2 on the surface of ZnIn 2 S 4 intimately and therefore constructing an intimate heterointerface between ZnIn 2 S 4 and SnSe 2 . Moreover, if S defects (e.g., S vacancies and low‐coordination S atoms) were precreated in ZnIn 2 S 4 , the abundant low‐coordination S atoms can serve as the attractive anchoring sites for SnSe 2 via bonding with Sn atoms.…”