journal article·2025-09

Visible–light–driven photocatalyst for solar–to–hydrogen efficiency via a Type–II SGaInS/GaGePS van der Waals heterostructure

Francis Opoku, Eric Selorm Agorku, Samuel Osei–Bonsu Oppong, Edward Ebow Kwaansa–Ansah, Noah Kyame Asare–Donkor, Penny Poomani Govender

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: 2D Materials and Applications · Perovskite Materials and Applications · Advanced Photocatalysis Techniques

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

References (90)

Show source-provided references
1. Rational design of multifunctional electrocatalyst: An approach towards efficient overall water splitting and rechargeable flexible solid-state zinc–air battery10.1016/j.apcatb.2021.120752 ↗
2. 3D nanostructures for the next generation of high‐performance nanodevices for electrochemical energy conversion and storage10.1002/aenm.202001460 ↗
3. Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells10.1038/s41586-021-03406-5 ↗
4. Integrating photovoltaic (PV) solar cells and supercapacitors for sustainable energy devices: a review10.3390/en14217211 ↗
5. Influence of renewable energy power fluctuations on water electrolysis for green hydrogen production10.1016/j.ijhydene.2022.11.018 ↗
6. A review of hydrogen production processes by photocatalytic water splitting–From atomistic catalysis design to optimal reactor engineering10.1016/j.ijhydene.2022.07.210 ↗
7. Hardystonite/palladium nanocomposite as a high performance catalyst for electrochemical hydrogen storage and Cr (VI) reduction10.1016/j.ijhydene.2021.05.043 ↗
8. Catalyst engineering for electrochemical energy conversion from water to water: water electrolysis and the hydrogen fuel cell10.1016/j.eng.2019.07.028 ↗
9. Support and interface effects in water-splitting electrocatalysts
10. Heterostructured 2D material-based electro-/photo-catalysts for water splitting10.1039/D3QM00566F ↗
11. Recent progresses in engineering of Ni and Co based phosphides for effective Electrocatalytic water splitting10.1002/celc.202100984 ↗
12. Alternative energy technologies10.1038/35104599 ↗
13. Review on metal sulphide‐based Z‐scheme photocatalysts10.1002/cctc.201802024 ↗
14. Electrochemical photolysis of water at a semiconductor electrode10.1038/238037a0 ↗
15. Computational screening of 2D materials for photocatalysis10.1021/jz502646d ↗
16. Porous Janus materials with unique asymmetries and functionality10.1016/j.mattod.2021.07.001 ↗
17. Research advances in the synthesis, application, assembly, and calculation of janus materials10.1021/acs.iecr.0c04304 ↗
18. Pd4S3Se3, Pd4S3Te3, and Pd4Se3Te3: candidate two-dimensional janus materials for photocatalytic water splitting10.1021/acs.chemmater.1c00812 ↗
19. Room temperature bound excitons and strain-tunable carrier mobilities in janus monolayer transition-metal dichalcogenides10.1021/acs.jpclett.0c00520 ↗
20. First principles study of silicene symmetrically and asymmetrically functionalized with halogen atoms10.1039/C6RA18179A ↗
21. Mechanical, electronic and optical properties of a novel B2P6 monolayer: ultrahigh carrier mobility and strong optical absorption10.1039/D1CP03838A ↗
22. A. Rawat, R. Ahammed, Dimple, N. Jena, M.K. Mohanta, A. De Sarkar, Solar Energy Harvesting in Type II van der Waals Heterostructures of Semiconducting Group III Monochalcogenide Monolayers, J. Phys. Chem. C, 123 (2019) 12666-12675.10.1021/acs.jpcc.9b03359 ↗
23. Two-dimensional g-C6N6/SiP-GaS van der Waals heterojunction for overall water splitting under visible light10.1016/j.ijhydene.2022.03.104 ↗
24. Single-layer group IV-V and group V-IV-III-VI semiconductors: structural stability, electronic structures, optical properties, and photocatalysis10.1103/PhysRevB.96.035438 ↗
25. The versatile characteristics of Ars/SGaInS van der Waals heterostructures10.1039/D2CP04832A ↗
26. First principles calculations of solid-state thermionic transport in layered van der Waals heterostructures10.1039/C6NR02436J ↗
27. Investigation of 2D Janus Al2OS/Ga2SSe van der Waals heterojunction as next-generation thermoelectric and photocatalytic devices
28. Interfacial electronic states of GeC/g-C3N4 van der Waal heterostructure with promising photocatalytic activity via hydrogenation10.1002/cphc.202300947 ↗
29. First-principles study of two-dimensional van der Waals heterostructure based on ZnO and Mg(OH)2: a potential photocatalyst for water splitting10.1016/j.physleta.2019.125916 ↗
30. Rational design of 2D/2D CS/SiC van der Waals type-II heterojunctions: a visible-light-driven photocatalyst for hydrogen production10.1039/D2MA01061E ↗
31. Effect of van der Waals stacking in CdS monolayer on enhancing the hydrogen production efficiency of SiH monolayer10.1039/D2MA00331G ↗
32. A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure10.1039/D1CP00122A ↗
33. Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective10.1039/D1CS00498K ↗
34. Electric field and strain effects on the electronic and optical properties of g-C3N4/WSe2 van der Waals heterostructure10.1016/j.apsusc.2019.144262 ↗
35. Boosting the photocatalytic H2 evolution activity of type-II g-GaN/Sc2CO2 van der Waals heterostructure using applied biaxial strain and external electric field10.1039/D2RA00419D ↗
36. Understanding the mechanism of enhanced charge separation and visible light photocatalytic activity of modified wurtzite ZnO with nanoclusters of ZnS and graphene oxide: from a hybrid density functional study10.1039/C7NJ01942D ↗
37. High-throughput computational screening and machine learning modeling of Janus 2D III–VI van der waals heterostructures for solar energy applications10.1021/acs.chemmater.2c00226 ↗
38. Type-II InSe/g-C3N4 heterostructure as a high-efficiency oxygen evolution reaction catalyst for photoelectrochemical water splitting10.1021/acs.jpclett.9b00909 ↗
39. Strain-tunable optoelectronic and photocatalytic properties of 2D GaN/MoSi2P4 heterobilayers: potential optoelectronic/photocatalytic materials10.1039/D4NR04545A ↗
40. Electronic and optical properties of two-dimensional MoSi2P4/BAs heterostructures10.1021/acs.jpcc.4c00738 ↗
41. A type-II blue phosphorus/MoSe2 van der Waals heterostructure: improved electronic and optical properties via vertical electric field10.1039/D0MA00413H ↗
42. Structural stability, tunable electronic and optical properties of two-dimensional WS2 and GaN heterostructure: First-principles calculations10.1016/j.mseb.2020.114672 ↗
43. Ultrafast carrier recombination in a BC6N/SnXY Z-scheme heterostructure for water splitting: insights from ground-and excited-state carrier dynamics10.1039/D4TA02440K ↗
44. The “dp orbital hybridization”-guided design of novel two-dimensional MOFs with high anchoring and catalytic capacities in Lithium−Sulfur batteries10.1016/j.jcis.2024.08.184 ↗
45. Enhanced electrocatalytic performance of LCO-NiFe-C3N4 composite material for highly efficient overall water splitting10.1016/j.jcis.2024.11.118 ↗
46. The electronic and optical properties of Type-Ⅱ g-CN/GaGePS van der Waals heterostructure modulated via biaxial strain and external electric field10.1016/j.mssp.2023.107989 ↗
47. Two-dimensional type-II g-C3N4/SiP–GaS heterojunctions as water splitting photocatalysts: first-principles predictions10.1039/D0CP01360A ↗
48. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials10.1088/0953-8984/21/39/395502 ↗
49. P. Giannozzi, O. Baseggio, P. Bonfà, D. Brunato, R. Car, I. Carnimeo, C. Cavazzoni, S.d. Gironcoli, P. Delugas, F.F. Ruffino, A. Ferretti, N. Marzari, I. Timrov, A. Urru, S. Baroni, Quantum ESPRESSO toward the exascale, J. Chem. Phys., 152 (2020) 154105.10.1063/5.0005082 ↗
50. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
51. Optimized norm-conserving Vanderbilt pseudopotentials10.1103/PhysRevB.88.085117 ↗
52. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
53. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
54. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
55. Hybrid functionals based on a screened Coulomb potential10.1063/1.1564060 ↗
56. An updated version of wannier90: a tool for obtaining maximally-localised Wannier functions10.1016/j.cpc.2014.05.003 ↗
57. First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
58. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory10.1103/PhysRevB.55.10355 ↗
59. Dipole correction for surface supercell calculations10.1103/PhysRevB.59.12301 ↗
60. Unified Approach for Molecular Dynamics and Density-Functional Theory10.1103/PhysRevLett.55.2471 ↗
61. Accurate and efficient algorithm for Bader charge integration10.1063/1.3553716 ↗
62. Critic2: a program for real-space analysis of quantum chemical interactions in solids10.1016/j.cpc.2013.10.026 ↗
63. Critic: a new program for the topological analysis of solid-state electron densities10.1016/j.cpc.2008.07.018 ↗
64. Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale10.1016/S0927-0256(03)00104-6 ↗
65. Janus structure derivatives SnP–InS, GeP-GaS and SiP–AlS monolayers with in-plane and out-of-plane piezoelectric performance10.1016/j.physe.2019.113817 ↗
66. Janus XM-GaS (M=Si, Ge, Sn; X=N, P) monolayers: Multifunctional properties for photocatalysis, piezoelectricity and second harmonic generation10.1016/j.physb.2020.412366 ↗
67. Computational mining of GeH-based Janus III–VI van der Waals heterostructures for solar cell applications10.1039/D2CP05669K ↗
68. An empirical approximation to the Voigt profile10.1016/0022-4073(68)90081-2 ↗
69. Born · 1996
70. Electron transport, ferroelectric, piezoelectric and optical properties of two-dimensional In2Te3: a first-principles study10.1039/D3CP01523H ↗
71. Design of a direct Z-scheme GeC/arsenene van der Waals heterostructure as highly efficient photocatalysts for water splitting10.1016/j.ijhydene.2023.07.070 ↗
72. Breaking the out-of-plane symmetry of Janus WSSe bilayer with chalcogen substitution for enhanced photocatalytic overall water-splitting10.1016/j.apsusc.2021.151692 ↗
73. Intrinsic electric fields in two-dimensional materials boost the solar-to-hydrogen efficiency for photocatalytic water splitting10.1021/acs.nanolett.8b02561 ↗
74. 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 ↗
75. InP/PtS2 heterojunctions: Z-scheme photocatalysts with enhanced light absorption for high solar-to-hydrogen conversion efficiency10.1016/j.ijhydene.2024.07.080 ↗
76. MoSe2 and WSSe heterojunction with exceptional power conversion efficiency and photogalvanic effect
77. A MoSSe/blue phosphorene vdw heterostructure with energy conversion efficiency of 19.9% for photocatalytic water splitting10.1088/1361-6641/abba40 ↗
78. Z-scheme Al2SeTe/GaSe and Al2SeTe/InS van der Waals heterostructures for photocatalytic water splitting10.1039/D3CP05819K ↗
79. Electronic and optical properties of Janus Ga2STe bilayer: a promising candidate for excitonic solar cell10.1039/D3TC02811A ↗
80. MoSi2N4/CrS2 van der Waals heterostructure with high solar-to-hydrogen efficiency10.1016/j.physe.2022.115443 ↗
81. Fox · 2010
82. Functionalized hexagonal boron nitride bilayers: desirable electro-optical properties for optoelectronic applications10.1039/D4CP01846J ↗
83. Interfacial electronic characteristics and tunable contact types in novel silicene/Janus Ga2STe heterobilayers
84. Tuning electronic and optical properties of graphene/h-BN heterobilayer via surface modification10.1016/j.apsusc.2022.154591 ↗
85. Hydrogen evolution reaction electrocatalysis trends of confined gallium phosphide with substitutional defects10.1016/j.ijhydene.2019.09.032 ↗
86. Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis10.1016/j.jelechem.2010.10.004 ↗
87. New insight into the mechanism of the hydrogen evolution reaction on MoP (001) from first principles10.1021/acsami.8b03976 ↗
88. Two-dimensional boron: lightest catalyst for hydrogen and oxygen evolution reaction10.1063/1.4960102 ↗
89. First-principles calculations of defects in oxygen-deficient silica exposed to hydrogen10.1103/PhysRevB.62.6158 ↗
90. Catalytic activity and underlying atomic rearrangement in monolayer CoOOH towards HER and OER10.1016/j.ijhydene.2020.03.075 ↗