journal article·2024-08

Designing S-scheme of TiO2@g-C3N4/graphene Heterojunction with enhanced photocatalytic activity under visible light: Experiments and DFT calculations

Thanh-Lieu Thi Le, Thanh-Hiep Thi Le, Ha Tran Huu, Dang Thi To Nu, Lan Nguyen Thi, Thi Thuy Trang Phan, Van Thang Nguyen, Kim Nguyen Van, Hung Nguyen Phi, Le Tuan Nguyen, Vien Vo

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Abstract

Using a dual hydrothermal pathway, this study investigated an S-scheme heterojunction of synthesized TiO 2, g-C 3N 4 , and graphene. The enhanced photocatalytic performance of the composite with an optimized graphene content of 0.1 wt % was clarified due to the improved charge transfer following the S-scheme and formation of the built-in electric field, which is supported by both experiment and density functional theory results. Furthermore, the decomposition pathway of Rhodamine B was investigated using the liquid chromatography-mass spectroscopy (LC-MS/MS) technique with a proposed mechanism.
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Research context

OpenAlex topics: Advanced Photocatalysis Techniques · TiO2 Photocatalysis and Solar Cells · Advanced Nanomaterials in Catalysis

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (60)

Show source-provided references
1. Nanomaterials and sustainability
2. Hydrothermal synthesis of Er2O3–NiO material for oxidation of water in alkaline media10.1016/j.ceramint.2023.12.213 ↗
3. Lead-free relaxor ferroelectric ceramics with ultrahigh energy storage densities via polymorphic polar nanoregions design
4. Strong corelation between magnetic and electrical subsystems in diamagnetically substituted hexaferrites ceramics10.1016/j.ceramint.2017.01.096 ↗
5. Preparation, phase stability, and magnetization behavior of high entropy hexaferrites10.1016/j.isci.2023.107077 ↗
6. The influence of saccharin adsorption on NiFe alloy film growth mechanisms during electrodeposition10.1039/D2RA07118E ↗
7. Peculiarities of magnetic phase separation in anion-deficient La0.70Sr0.30MnO2.85 manganite10.1134/S1063783411090307 ↗
8. Why five decades of massive research on heterogeneous photocatalysis, especially on TiO2, has not yet driven to water disinfection and detoxification applications? Critical review of drawbacks and challenges
9. Fabricating an optimal rutile TiO2 electron transport layer by delicately tuning TiCl4 precursor solution for high performance perovskite solar cells10.1016/j.nanoen.2019.104336 ↗
10. A new nano-photocatalyst based on Pt and Bi co-doped TiO2 for efficient visible-light photo degradation of amoxicillin10.1039/C8NJ05020A ↗
11. TiO2 Nanocrystals grown on graphene as advanced photocatalytic hybrid materials10.1007/s12274-010-0033-5 ↗
12. Unique S-scheme heterojunctions in self- assembled TiO2/CsPbBr3 hybrids for CO2 photoreduction10.1038/s41467-020-18350-7 ↗
13. Synthesis and characterization of TiO2/graphene oxide nanocomposites for photoreduction of heavy metal ions in reverse osmosis concentrate10.1039/C8RA06681G ↗
14. Morphology and photocatalytic activity of TiO2/MXene composites by in-situ solvothermal method10.1016/j.ceramint.2020.05.083 ↗
15. Rational design of semiconductor heterojunctions for photocatalysis10.1002/chem.202101764 ↗
16. H. Wang, L. Zhang, Z. Chen, J. Hu, and S. Li, “Semiconductor heterojunction photocatalysts: design, construction, and photocatalytic, 2014, https://doi: 10.1039/c4cs00126e.10.1002/chin.201438284 ↗
17. Wu · ACS Sustain. Chem. Eng. · 2019 · 7 · 1528910.1021/acssuschemeng.9b02489 ↗
18. Perspective S-scheme heterojunction photocatalyst
19. Emerging S-scheme photocatalyst
20. S-scheme heterojunction based on p-type ZnMn2O4 and n-type ZnO with improved photocatalytic CO2 reduction activity10.1016/j.cej.2020.127377 ↗
21. Construction of two-dimensionally relative p-n heterojunction for efficient photocatalytic redox reactions under visible light10.1016/j.apsusc.2019.144638 ↗
22. Journal of environmental chemical engineering a review on TiO2/g-C3N4 visible-light- responsive photocatalysts for sustainable energy generation and environmental remediation10.1016/j.jece.2020.103896 ↗
23. Engineered defect-rich TiO2/g-C3N4 heterojunction: a visible light-driven photocatalyst for efficient degradation of phenolic wastewater10.1016/j.chemosphere.2021.131696 ↗
24. Strongly interfacial-coupled 2D–2D TiO2/g-C3N4 heterostructure for enhanced visible-light induced synthesis and conversion10.1016/j.jhazmat.2020.122529 ↗
25. Facile synthesis of CeSe2@CNs nanostructure for enhanced water oxidation10.1016/j.matchemphys.2023.127529 ↗
26. Significantly enhanced photothermal catalytic CO2 reduction over TiO2/g-C3N4 composite with full spectrum solar light10.1016/j.jcis.2023.01.096 ↗
27. Rapid and scalable fabrication of TiO2@g-C3N4 heterojunction for highly efficient photocatalytic no removal under visible light10.4209/aaqr.210276 ↗
28. Hierarchical TiO2-g-C3N4 photocatalyst with purification effect for NOx oxidation under cyan light10.1016/j.jphotochem.2023.114965 ↗
29. Facile synthesis of anatase/rutile TiO2/g-C3N4 multi-heterostructure for efficient photocatalytic overall water splitting10.1016/j.ijhydene.2020.04.214 ↗
30. Gold modified TiO2/g-C3N4 for enhanced photocatalytic activities to evolved H2 fuel10.1016/j.inoche.2021.108787 ↗
31. Solar-driven semi-conductor photocatalytic water treatment (TiO2, g-C3N4 and TiO2 + g-C3N4) of cyanotoxins: proof-of-concept study with microcystin-LR10.1016/j.chemosphere.2022.136828 ↗
32. Construction of ternary hybrid layered reduced graphene oxide supported g-C3N4-TiO2 nanocomposite and its photocatalytic hydrogen production activity10.1016/j.ijhydene.2017.09.048 ↗
33. MXene Ti3C2 derived Z−scheme photocatalyst of graphene layers anchored TiO2/g−C3N4 for visible light photocatalytic10.1016/j.cej.2020.124921 ↗
34. Construction of three-dimensional g-C3N4/Gr-CNTs/TiO2 Z-scheme catalyst with enhanced photocatalytic activity10.1016/j.apsusc.2020.145494 ↗
35. Controlled growth of TiO2 nanoparticles on graphene by hydrothermal method for visible-light photocatalysis10.1016/j.jsamd.2021.07.003 ↗
36. Facile construction of S-scheme SnO2/g-C3N4 photocatalyst for improved photoactivity10.1016/j.chemosphere.2021.133120 ↗
37. Enhanced photocatalytic mechanism for the hybrid g-C3N4/MoS2 nanocomposite10.1039/C4TA00275J ↗
38. Structural, electronic and optical properties of a hybrid triazine-based graphitic carbon nitride and graphene nanocomposite10.1039/C5CP03173G ↗
39. TiO2-CeO2/g-C3N4 S-scheme heterostructure composite for enhanced photo-degradation and hydrogen evolution performance with combined experimental and DFT study10.1016/j.chemosphere.2021.132611 ↗
40. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
41. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
42. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
43. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
44. VASPKIT: a user-friendly interface facilitating high-throughput computing and analysis using VASP code10.1016/j.cpc.2021.108033 ↗
45. Graphene/TiO2 nanocomposites: synthesis, characterization and application in hydrogen evolution from water photocatalytic splitting10.1039/b917240h ↗
46. Hollowsphere nanoheterojunction of g-C3N4@TiO2 with high visible light photocatalytic property
47. High antibacterial activity of ultrafine TiO2/graphene sheets nanocomposites under visible light irradiation10.1016/j.matlet.2012.11.136 ↗
48. Unconventionally prepared TiO2/g-C3N4 photocatalysts for photocatalytic decomposition of nitrous oxide10.1016/j.apsusc.2017.06.299 ↗
49. Synthesis of core-shell TiO2@g-C3N4 hollow microspheres for efficient photocatalytic degradation of rhodamine B under visible light10.1016/j.apsusc.2017.07.282 ↗
50. Enhanced photocatalytic activity of silica-embedded TiO2 hollow microspheres prepared by one-pot approach10.1016/j.jallcom.2009.12.046 ↗
51. Preparation and enhanced photocatalytic activity of carbon nitride/titania (001 vs 101 facets)/reduced graphene oxide (g-C3N4/TiO2/rGO) hybrids under visible light10.1016/j.apsusc.2016.07.180 ↗
52. Crystal structure and magnetic properties of Ba-ordered manganites Ln0.70Ba0.30 MnO3−δ (Ln= Pr, Nd)10.1134/S1063776106090093 ↗
53. PH-control of the photocatalytic degradation mechanism of Rhodamine B over Pb3Nb4O1310.1021/jp108637r ↗
54. AgBr@Ag/TiO2 core-shell composite with excellent visible light photocatalytic activity and hydrothermal stability10.1016/j.catcom.2013.04.006 ↗
55. Novel preparation method for a new visible light photocatalyst: mesoporous TiO2 supported Ag/AgBr10.1039/c2jm14628b ↗
56. Evaluation of reaction mechanism for photocatalytic degradation of dye with self-sensitized TiO2 under visible light irradiation
57. Fabrication, characterization, and photocatalytic performance of exfoliated g-C3N4-TiO2 hybrids10.1016/j.apsusc.2014.05.111 ↗
58. Improved energy storage performance of sandwich-structured P (VDF-HFP)-based nanocomposites by the addition of inorganic nanoparticles10.1039/D3TC00979C ↗
59. pH-controlled mechanism of photocatalytic RhB degradation over g-C3N4 under sunlight irradiation10.1007/s43630-021-00019-9 ↗
60. Photocatalytic degradation of Rhodamine-B by visible light assisted peroxymonosulfate activation using the Z-scheme MIL-100(Fe)/Bi2S3 composite: a combined experimental and theoretical approach10.1039/D2NJ00497F ↗