journal article·2026-03

Direct Z-scheme photocatalytic water splitting in SnC-based chalcogenide heterostructures: mechanistic insights and hydrogen evolution performance

Fei Wang, Chuan-Lu Yang, Ze-Cheng Zhao, Guo-Ying Liang

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OpenAlex topics: Advanced Photocatalysis Techniques · 2D Materials and Applications · Chalcogenide Semiconductor Thin Films

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References (84)

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1. Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting10.1039/C3CS60378D ↗
2. Visible-light driven heterojunction photocatalysts for water splitting-a critical review10.1039/C4EE03271C ↗
3. Catalysis with two-dimensional materials and their heterostructures10.1038/nnano.2015.340 ↗
4. Electronic and optical properties of two-dimensional III2-VI3 materials with the FE-WZ′ structure10.1016/j.apsusc.2023.158084 ↗
5. Promising two-dimensional Janus β-PdXO (X= S/Se) for photocatalytic water splitting10.1016/j.ijhydene.2025.150617 ↗
6. Hierarchical photocatalysts10.1039/C5CS00838G ↗
7. PtTe2‐based type‐II Dirac semimetal and its van der Waals heterostructure for sensitive room temperature terahertz photodetection10.1002/smll.201903362 ↗
8. Machine learning‐driven band alignment strategy for screening 1T‐TMDs‐based Z‐scheme heterostructures toward efficient photocatalytic water splitting
9. “Aggregation and rebalance” mechanism-guided design and discovery of efficient bimetallic catalysts for the nitrogen reduction reaction10.1039/D5TA01347J ↗
10. Ultrafast carrier recombination in a BC6N/SnXY Z-scheme heterostructure for water splitting: insights from ground-and excited-state carrier dynamics10.1039/D4TA02440K ↗
11. New insights into axially asymmetric mechanism for enhanced anchoring and catalytic performance in lithium–sulfur batteries
12. New insights into the long-range interaction mechanism of nitrogen reduction10.1016/j.jechem.2025.03.024 ↗
13. Influence of an Al2O3 interlayer in a directly grown graphene-silicon Schottky junction solar cell10.1016/j.carbon.2018.02.042 ↗
14. Opening the band gap of graphene through silicon doping for the improved performance of graphene/GaAs heterojunction solar cells10.1039/C5NR06345K ↗
15. Synergistic effect of interstitial phosphorus doping and MoS2 modification over Zn0.3Cd0.7S for efficient photocatalytic H2 production10.1016/j.jcis.2024.07.044 ↗
16. Geometric structures and electronic properties of the Bi2X2Y (X, Y= O, S, Se, and Te) ternary compound family: a systematic DFT study10.1039/C8TC04587A ↗
17. High electron mobility and quantum oscillations in non-encapsulated ultrathin semiconducting Bi2O2Se10.1038/nnano.2017.43 ↗
18. Propose two-dimensional Sb2Te2X (X= S, Se) with isotropic electron mobility and remarkable visible-light response10.1039/C9CP02098E ↗
19. Electronic and thermoelectric properties of semiconducting Bi2SSe2 and Bi2S2Se monolayers with high optical absorption10.1039/D2CP03708D ↗
20. Recent developments in bulk thermoelectric materials10.1557/mrs2006.45 ↗
21. Multiple strategies of improving photocatalytic water splitting efficiency in 2D arsenic sesquichalcogenides10.1039/D3CP02839A ↗
22. Highly anisotropic mechanical and optical properties of 2D layered As2S3 membranes10.1021/acsnano.9b06161 ↗
23. As2S3, As2Se3 and As2Te3 nanosheets: superstretchable semiconductors with anisotropic carrier mobilities and optical properties10.1039/C9TC05904K ↗
24. The external electric-field-induced Schottky-to-ohmic contact transition in graphene/AsS interface: a study by the first principles10.1002/er.6070 ↗
25. External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: a first-principles study10.1016/j.apsusc.2020.147701 ↗
26. Highly anisotropic electronic and mechanical properties of monolayer and bilayer As2S310.1016/j.apsusc.2020.148665 ↗
27. Theoretical calculation of hydrogen evolution reaction in two-dimensional As2X3 (X=S, Se, Te) doped with transition metal atoms10.1016/j.apsusc.2023.156475 ↗
28. Band bending in semiconductors: chemical and physical consequences at surfaces and interfaces10.1021/cr3000626 ↗
29. Investigation on the electrical and photocatalytic properties of t-stanagraphene and SnC-graphene10.1016/j.mssp.2024.108647 ↗
30. Engineering two-dimensional SnC/HfSSe heterojunction as a direct Z-scheme photocatalyst for water splitting hydrogen evolution10.1016/j.apsusc.2023.157247 ↗
31. Z-scheme SnC/HfS2 van der Waals heterojunction increases photocatalytic overall water splitting10.1088/1361-6463/ac6e9e ↗
32. Design of a noble-metal-free direct Z-scheme photocatalyst for overall water splitting based on a SnC/SnSSe van der Waals heterostructure10.1039/D1CP03398K ↗
33. Investigation of the mechanism of overall water splitting in UV-visible and infrared regions with SnC/arsenene vdW heterostructures in different configurations10.1039/C9CP05811G ↗
34. Breaking the out-of-plane symmetry of Janus WSSe bilayer with chalcogen substitution for enhanced photocatalytic overall water-splitting10.1016/j.apsusc.2021.151692 ↗
35. Effects of doping on photocatalytic water splitting activities of PtS2/SnS2 van der Waals heterostructures10.1039/D1CP01777B ↗
36. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
37. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
38. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
39. Hybrid functionals based on a screened Coulomb potential10.1063/1.1564060 ↗
40. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
41. A generally applicable atomic-charge dependent London dispersion correction10.1063/1.5090222 ↗
42. Dipole correction for surface supercell calculations10.1103/PhysRevB.59.12301 ↗
43. A molecular dynamics method for simulations in the canonical ensemble10.1080/00268978400101201 ↗
44. Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems10.1002/wcms.1411 ↗
45. Decoherence-induced surface hopping10.1063/1.4757100 ↗
46. 2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches10.1038/s41597-019-0097-3 ↗
47. SnC/PtS2 heterostructure: a promising direct Z-scheme photocatalyst with tunable electronic optical properties and high solar-to-hydrogen efficiency10.1016/j.ijhydene.2023.06.156 ↗
48. All-electron projector-augmented-wave GW approximation: application to the electronic properties of semiconductors10.1103/PhysRevB.62.4464 ↗
49. Toward reliable density functional methods without adjustable parameters: the PBE0 model10.1063/1.478522 ↗
50. First-principles GW–BSE excitations in organic molecules10.1016/j.ssc.2005.08.012 ↗
51. Photocatalytic hydrogen evolution reaction with high solar-to-hydrogen efficiency driven by the Sb2S3 monolayer and RuI2/Sb2S3 heterostructure with solar light10.1016/j.jpowsour.2022.231352 ↗
52. Heterogeneous photocatalyst materials for water splitting10.1039/B800489G ↗
53. Steering charge kinetics in photocatalysis: intersection of materials syntheses, characterization techniques and theoretical simulations10.1039/C5CS00064E ↗
54. Enhanced thermoelectric efficiency via orthogonal electrical and thermal conductances in phosphorene10.1021/nl502865s ↗
55. Charge transport and mobility engineering in two-dimensional transition metal chalcogenide semiconductors10.1039/C5CS00517E ↗
56. Hydrogen generation from direct Z-scheme for photocatalytic overall water splitting with the SiSe/SnSe2 and SiSe/SnSSe heterostructures10.1016/j.jcat.2024.115429 ↗
57. R.H. Garrett, C.M. Grisham, Biochemistry, Thomas Brooks/Cole, 2006.
58. Quantum theory of atoms in molecules–Dalton revisited
59. Unusual Fermi-level pinning and Ohmic contact engineering for Janus TMD heterojunctions from an electronegativity perspective
60. Adjusting Schottky barrier height and enhancing diode performances in 1T-MoT2/WSeTe (MoSeTe) heterojunctions by interlayer flipping10.1063/5.0275793 ↗
61. Direct band gaps in group IV-VI monolayer materials
62. New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides10.1039/C2CS35267B ↗
63. PtTe2/Sb2S3 nanoscale heterostructures for the photocatalytic direct Z-scheme with high solar-to-hydrogen eficiency: a theoretical investigation10.1021/acsanm.3c00031 ↗
64. Intrinsic electric fields in two-dimensional materials boost the solar-to-hydrogen efficiency for photocatalytic water splitting10.1021/acs.nanolett.8b02561 ↗
65. Insights into photogenerated carrier dynamics and overall water splitting of the CrS3/GeSe heterostructure10.1021/acs.jpclett.3c01780 ↗
66. Blue phosphorene/Sc2CX2 (X= O, F) van der Waals heterostructures as suitable candidates for water-splitting photocatalysts and solar cells10.1039/D0SE01097A ↗
67. Uniaxial strain on graphene: Raman spectroscopy study and band-gap opening10.1021/nn800459e ↗
68. Band gap engineering with ultralarge biaxial strains in suspended monolayer MoS210.1021/acs.nanolett.6b02615 ↗
69. Evidence of the existence of magnetism in pristine VX2 monolayers (X= S, Se) and their strain-induced tunable magnetic properties10.1021/nn204667z ↗
70. Stretching and breaking of ultrathin MoS210.1021/nn203879f ↗
71. Delocalized impurity phonon induced electron–hole recombination in doped semiconductors10.1021/acs.nanolett.7b03933 ↗
72. Efficient Z-scheme photocatalytic hydrogen production from overall water splitting by MA2Z4/XSe2 (M= Zn, Cd, Hg; A= Al, Ga, In; Z= S, Se, Te; X= Ti, Zr, Hf) heterostructures
73. Photocatalytic Z-scheme overall water splitting for hydrogen generation with Sc2CCl2/ML (ML= MoTe2, Hf2CO2) heterostructures10.1016/j.ijhydene.2024.01.287 ↗
74. Tunable Z-scheme photocatalytic activity in Sc2CBrX/MoTe2 (X= Br, Cl) heterostructures: a combined electronic and non-adiabatic dynamics study10.1039/D5TA05410A ↗
75. 2D/2D BiVO4/CsPbBr3 S-scheme heterojunction for photocatalytic CO2 reduction: Insights into structure regulation and Fermi level modulation10.1016/j.apcatb.2021.120979 ↗
76. Switching on the photocatalysis of metal–organic frameworks by engineering structural defects10.1002/anie.201907074 ↗
77. Solar energy-driven upcycling of plastic waste on direct Z-scheme heterostructure of V-substituted phosphomolybdic acid/g-C3N4 nanosheets10.1016/j.apcatb.2022.121496 ↗
78. Femtosecond time-resolved spectroscopic observation of long-lived charge separation in bimetallic sulfide/g-C3N4 for boosting photocatalytic H2 evolution10.1016/j.apcatb.2020.119568 ↗
79. Role of surface termination on hot electron relaxation in silicon quantum dots: a first-principles dynamics simulation study10.1021/acs.nanolett.5b01707 ↗
80. The InSe/g-CN van der Waals hybrid heterojunction as a photocatalyst for water splitting driven by visible light10.1016/j.cclet.2021.07.010 ↗
81. A simple molecular design strategy for two-dimensional covalent organic framework capable of visible-light-driven water splitting10.1021/jacs.0c00564 ↗
82. Rational design of black phosphorus-based direct Z-scheme photocatalysts for overall water splitting: the role of defects10.1021/acs.jpclett.2c02406 ↗
83. A scalable solar-driven photocatalytic system for separated H2 and O2 production from water10.1038/s41467-025-56314-x ↗
84. A hydrogen farm strategy for scalable solar hydrogen production with particulate photocatalysts10.1002/anie.202001438 ↗