The electronic and optical properties of Ni-doped Bi4O5I2: First-principles calculations

Polar Layered Bismuth‐Rich Oxyhalide Piezoelectrics Bi4O5X2 (XBr, I): Efficient Piezocatalytic Pure Water Splitting and Interlayer Anion‐Dependent Activity

“…[ 17,38 ] Such layered structures generate built‐in electric field perpendicular to [Bi 4 O 5 ] 2+ layers. [ 39 ] However, the constituent elements of Bi 4 O 5 Br 2 and Bi 4 O 5 I 2 are different in essence. Significantly, the Br element owns a stronger electronegativity and smaller ion radius (0.195 nm) than I element (0.216 nm), leading to the lattice parameters of Bi 4 O 5 Br 2 (a = 1.452 nm, b = 0.5625 nm, and c = 1.083 nm, α = γ = 90.0°, β = 97.6°) are smaller than that of Bi 4 O 5 I 2 (a = 1.494 nm, b = 0.5698 nm, and c = 1.126 nm, α = γ = 90.0°, β = 99.8°) in the unit cell encompassing 16 Bi, 20 O, 8 Br or I atoms (Figure 7e; Figure S6, Supporting Information).…”

“…[17,38] Such layered structures generate built-in electric field perpendicular to [Bi 4 O 5 ] 2+ layers. [39] However, the constituent elements of Bi 7e; Figure S6, Supporting Information). [21,[40][41][42] As one of 20 piezoelectric asymmetric point groups, the intrinsic asymmetric and layered crystal structure of monoclinic Bi 4 O 5 Br 2 and Bi 4 O 5 I 2 endows them with fascinating piezoelectricity in nature.…”

Schottky heterogeneous interface design of Ti3C2/Bi4O5I2 to enhance the photocatalytic performance

“…As shown in Fig. S3 (ESI †), it was found that as the applied pressure increases (10,12,16,20,50 and 74 MPa), the conductivity of Ti 3 C 2 increases from 0.011405 S cm −1 to 0.194627 S cm −1 , with the compaction density increasing from the initial 1.3459 g cm −3 to 1.7857 g cm −3 . However, with the compaction density of Bi 4 O 5 I 2 increasing from 0.011405 g cm −3 to 0.194627 g cm −3 , the conductivity of Bi 4 -O 5 I 2 is still too small to achieve the lowest detection limit of analytical instruments.…”

“…Bi 4 O 5 I 2 exhibits visible light absorption and super stability, making it a suitable candidate for organic pollutant degradation. 8–11 Yan et al 12 prepared Ni–Bi 4 O 5 I 2 nanomaterials by a solvothermal method. Ni( ii ) as a cocatalyst expanded the specific surface area of the materials.…”

Achieving high carrier separation over Bi4O5I2 through Ni doping for improved photocatalytic CO2 reduction

“…Generally speaking, metal-ion doping is one of the most promising options to improve charge separation, since it can narrow the band gap width and widen light absorption range [21][22][23]. More importantly, metal-ion doped into the semiconductor lattice can form doping level in the energy band of the photocatalyst, which act as a springboard for electrons transition, thus accelerating electron-hole pairs separation [24,25]. For example, when facing the photocatalytic degradation of norfloxacin, Cu-doped BiOBr exhibits superior activity to pure BiOBr owing to the generation of doping levels in energy band, which efficaciously motivate photoexcited electrons and holes separation [26].…”