Sn-doped BiOCl for photoelectrochemical activities and photocatalytic dye degradation under visible light

Zulkiflee, Asyiqin; Khan, Mohammad Mansoob; Khan, Abuzar; Khan, Mohd Yusuf; Dafalla, Hatim Dafalla Mohamed; Harunsani, Mohammad Hilni

doi:10.1016/j.heliyon.2023.e21270

Cited by 5 publications

(3 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The optimized lattice parameters of the undoped and doped systems are summarized in table 1. Recently, Zulkiflee et al reported that the experimental lattice parameters for pristine and Sn-doped BiOCl were a = b = 3.885; 3.876 Å, and c = 7.371; 7.343 Å [37]. Structural optimization results match experimental data and theoretical reports [22,36].…”

Section: Resultsmentioning

confidence: 68%

“…Notably, the photocatalytic performance of 5% Sn-doped BiOCl exhibited the most efficient degradation of RhB dye, reaching 91.2% removal within 60 min. Another research study by Zulkiflee et al [37] confirmed the superior photocatalytic efficiency of Sn-doped BiOCl relative to pristine BiOCl, emphasizing Sn efficacy in tuning the band gap of BiOCl for enhanced photocatalytic capabilities. Additionally, Sn doping introduces Sn-related surface sites that aid in the separation of electronhole pairs, thereby enhancing the overall photocatalytic efficiency [23].…”

Section: Introductionmentioning

confidence: 92%

“…The co-doped BiOCl crystal exhibited promising photocatalytic performance in the degradation of tetracycline (TC). The literature on Sn-BiOCl crystal suggests that Sn is the best alternative for engineering the electronic and optical properties, which can boost the photocatalytic activity of the material [23,37]. On the other hand, there is a lack of research on the co-doping of tin and bromine to enhance the electronic and optical properties of BiOCl crystals.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Effect of tin doping and tin-bromine co-doping on electronic and optical properties of BiOCl crystal: density functional theory

Wakjira,

Tadele,

Gemta

et al. 2024

Mater. Res. Express

View full text Add to dashboard Cite

Bismuth oxychloride (BiOCl) is a layered compound known for its exceptional physical, chemical, and optical characteristics, along with notable photocatalytic performance under visible light irradiation. This investigation employed density functional theory (DFT) to analyze the electronic band structure, projected density of states (PDOS), joint density of states (JDOS), and dielectric functions of both pristine BiOCl and various doped crystalline structures utilizing a projected augmented wave basis set. The crystallographic symmetry of doped and co-doped configurations exhibited congruency with the pristine crystals. Electronic band structures were evaluated for pristine, doped, and co-doped crystalline forms. In the case of the co-doped SnxBi1−xOBrxCl1−x crystal (x = 0.0625, 0.125, and 0.25), energy band gaps of 1.40 eV, 1.42 eV, and 1.5 eV were determined, respectively, signifying a reduction in the energy band gap compared to the single doped and undoped BiOCl crystal. Analysis of the PDOS revealed that the valence band (VB) of the SnxBi1−xOBrxCl1−x crystal was characterized by Cl (p), Br (p), O (p), and Sn (s, p) states, while the conduction band (CB) primarily consisted of Bi (p) states. JDOS calculations indicated a shift in peak energy towards lower values, indicating that dopants promoted electron transitions from Cl, Sn, O, and Br p states to the Bi p state. Moreover, investigation of the dielectric function for both pure and doped BiOCl demonstrated that tin-bromine co-doping induced modifications in the static dielectric constant and dielectric permittivity of the unmodified BiOCl crystal. Ultimately, the incorporation of tin and bromine through co-doping exerted a substantial influence on the electronic and optical properties of the doped crystalline materials. Based on our computational assessments, the SnxBi1−xOBrxCl1−x configuration with x = 0.25 showcased superior visible light absorption efficiency compared to other doped variations and pristine BiOCl.

show abstract

Section: Resultsmentioning

confidence: 68%

Section: Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation