Theoretical investigation to explore PdSnSe2-n/PdPSe (n = 0, 1, 2) heterostructures as advanced photocatalysts for water splitting applications
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OpenAlex topics: 2D Materials and Applications · Chalcogenide Semiconductor Thin Films · Electronic and Structural Properties of Oxides
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References (78)
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1. Consumption-based accounting of CO2 emissions10.1073/pnas.0906974107 ↗
2. Blaming cities for climate change? An analysis of urban greenhouse gas emissions inventories10.1177/0956247809103016 ↗
3. CO2 emissions, energy consumption and economic growth in BRIC countries10.1016/j.enpol.2010.08.045 ↗
4. Solar energy for future world: - A review10.1016/j.rser.2016.05.022 ↗
5. A review on solar energy use in industries10.1016/j.rser.2010.12.018 ↗
6. Progress, challenge and perspective of heterogeneous photocatalysts10.1039/C2CS35355E ↗
7. Hydrogen production by photocatalytic steam reforming of methanol on noble metal-modified TiO210.1016/j.jcat.2010.05.012 ↗
8. The kinetics of methane steam reforming over a Ni/α-Al2O catalyst10.1016/S1385-8947(00)00367-3 ↗
9. Water photolysis at 12.3% efficiency via perovskite photovoltaics and Earth-abundant catalysts10.1126/science.1258307 ↗
10. Enhanced TiO2 photocatalysis by Cu in hydrogen production from aqueous methanol solution10.1016/j.ijhydene.2004.02.013 ↗
11. A novel photocatalyst LaOF: Facile fabrication and photocatalytic hydrogen production10.1016/j.catcom.2012.06.019 ↗
12. Recent Progress in Energy-Driven Water Splitting
13. Electric field effect in atomically thin carbon films10.1126/science.1102896 ↗
14. Two-dimensional germanium monochalcogenides for photocatalytic water splitting with high carrier mobility10.1016/j.apcatb.2017.05.087 ↗
15. Two-dimensional Janus PtSSe for photocatalytic water splitting under the visible or infrared light10.1039/C8TA09177C ↗
16. Two-dimensional MgAl2S4 as potential photocatalyst for water splitting and strategies to boost its performance10.1016/j.apsusc.2022.154826 ↗
17. SiCP(4) Monolayer with a Direct Band Gap and High Carrier Mobility for Photocatalytic Water Splitting10.1021/acs.jpclett.1c03708 ↗
18. Review of two-dimensional materials for photocatalytic water splitting from a theoretical perspective10.1039/C6CY02178F ↗
19. Recent Advancements and Future Prospects in Ultrathin 2D Semiconductor-Based Photocatalysts for Water Splitting10.3390/catal10101111 ↗
20. 2D materials and their heterostructures for photocatalytic water splitting and conversion of CO2 to value chemicals and fuels
21. 2D Heterostructures for Ubiquitous Electronics and Optoelectronics: Principles, Opportunities, and Challenges10.1021/acs.chemrev.1c00735 ↗
22. The “d-p 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 ↗
23. Construction of novel ZnO/Ga2SSe (GaSe) vdW heterostructures as efficient catalysts for water splitting10.1016/j.apsusc.2023.157648 ↗
24. Enhanced electrocatalytic performance of LCO-NiFe-C(3)N(4) composite material for highly efficient overall water splitting10.1016/j.jcis.2024.11.118 ↗
25. Ultrafast carrier recombination in a BC6N/SnXY Z-scheme heterostructure for water splitting: insights from ground- and excited-state carrier dynamics10.1039/D4TA02440K ↗
26. Improvement of Visible-Light Photocatalytic Efficiency in a Novel InSe/Zr2CO2 Heterostructure for Overall Water Splitting10.1021/acs.jpcc.9b01175 ↗
27. Two-dimensional Janus like scandium-based MXenes as photocatalysts for overall water splitting: A first-principles study
28. A DFT study of GaSe/AlN(ZnO) two-dimensional vdW heterostructure practiced as an encouraging photocatalyst for water splitting10.1016/j.commatsci.2021.110912 ↗
29. Type-II GeC/ZnTe heterostructure with high-efficiency of photoelectrochemical water splitting10.1063/5.0060994 ↗
30. Spontaneous Enhanced Visible-Light-Driven Photocatalytic Water Splitting on Novel Type-II GaSe/CN and Ga(2)SSe/CN vdW Heterostructures10.1021/acs.jpclett.1c01023 ↗
31. Two-Dimensional Arsenene/ZrS2(HfS2) Heterostructures as Direct Z-Scheme Photocatalysts for overall water splitting10.1021/acs.jpcc.1c10133 ↗
32. GeC/GaN vdW Heterojunctions: A promising photocatalyst for overall water splitting and solar energy conversion10.1021/acsami.9b20175 ↗
33. First-principles study on the type-II g-C6N6/GaS heterojunction: A promising photocatalyst for water splitting10.1016/j.diamond.2020.108157 ↗
34. Electronic and optical properties of van der Waals heterostructures of g-GaN and transition metal dichalcogenides10.1016/j.apsusc.2019.06.207 ↗
35. Efficient carrier separation and band structure tuning of two-dimensional C2N/GaTe van der waals heterostructure10.1021/acs.jpcc.8b04440 ↗
36. ZnO/WSe2 vdW heterostructure for photocatalytic water splitting10.1039/C9TC00573K ↗
37. A direct Z-scheme MoSi2N4/BlueP vdW heterostructure for photocatalytic overall water splitting10.1088/1361-6463/ac5662 ↗
38. Two dimensional MoSSe/BSe vdW heterostructures as potential photocatalysts for water splitting with high carrier mobilities10.1016/j.ijhydene.2021.01.157 ↗
39. Insights from density functional theory calculations on heteroatom P-doped ZnIn(2)S(4) bilayer nanosheets with atomic-level charge steering for photocatalytic water splitting10.1038/s41598-022-05740-8 ↗
40. Two-dimensional blue phosphorene–BAs vdW heterostructure with optical and photocatalytic properties: A first-principles study10.1039/D1RA00004G ↗
41. Two-Dimensional Boron Phosphide/MoGe(2)N(4) van der Waals Heterostructure: A promising tunable optoelectronic material10.1021/acs.jpclett.1c01284 ↗
42. Interfacial electronic properties and tunable contact types in graphene/Janus MoGeSiN(4) heterostructures10.1021/acs.jpclett.1c00682 ↗
43. Penta-PdPSe: A New 2D pentagonal material with highly in-plane optical, electronic, and optoelectronic anisotropy
44. Intriguing optical and photocatalytic properties of pentagonal penta-PtPS, -PtPSe and -PtPTe monolayers: A first-principle study10.1016/j.jpcs.2023.111280 ↗
45. Puckered Penta-like PdPX (X = O, S, Te) semiconducting nanosheets: First-principles study of the mechanical, electro-optical, and photocatalytic properties10.1021/acsami.1c23988 ↗
46. Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study10.1039/D1CP04328E ↗
47. Effects of vacancy defects and atomic doping on the electronic and magnetic properties of puckered penta-like PdPSe monolayer: anAb initiostudy10.1088/1361-648X/ad69ec ↗
48. Ab-initio-driven prediction of puckered penta-like PdPSeX (X O, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties10.1016/j.apsusc.2021.152356 ↗
49. Electronic Performance and Schottky Contact of 2D GeH/InSe and GeH/In2Se3 Heterostructures: Strain Engineering and Electric Field Tunability10.1002/adts.202400438 ↗
50. Tunable photocatalytic and optoelectronic properties of SiTe/SiH heterostructure as a photocatalytic water splitting with high hydrogen production10.1016/j.jpcs.2024.112125 ↗
51. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
52. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
53. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
54. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
55. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
56. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
57. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
58. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
59. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
60. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
61. Hybrid functionals based on a screened Coulomb potential10.1063/1.1564060 ↗
62. First-principles calculations of electronic, optical, and thermodynamic properties of SrSi2
63. Electronic structure, chemical bonding, and optical properties of paraelectricBaTiO310.1103/PhysRevB.62.8828 ↗
64. VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code10.1016/j.cpc.2021.108033 ↗
65. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode10.1021/jp047349j ↗
66. High Mobility 2D Palladium Diselenide Field-Effect Transistors with Tunable Ambipolar Characteristics10.1002/adma.201602969 ↗
67. Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2monolayer10.1039/C5TC01345C ↗
68. The crystal structure of PdSe2 and PdS210.1107/S0365110X57000948 ↗
69. Electrical properties of some nickel-group chalcogenides10.1016/0022-3697(65)90140-X ↗
70. Pentagonal two-dimensional noble-metal dichalcogenide PdSSe for photocatalytic water splitting with pronounced optical absorption and ultrahigh anisotropic carrier mobility10.1039/D1TC01245B ↗
71. First-principles Phonon Calculations with Phonopy and Phono3py10.7566/JPSJ.92.012001 ↗
72. Implementation strategies in phonopy and phono3py10.1088/1361-648X/acd831 ↗
73. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces10.1002/cctc.201000397 ↗
74. Band alignments of graphene-like III-nitride semiconductors10.1016/j.ssc.2017.12.008 ↗
75. Deformation Potentials and Mobilities in Non-Polar Crystals10.1103/PhysRev.80.72 ↗
76. First-principles prediction of charge mobility in carbon and organic nanomaterials10.1039/c2nr30585b ↗
77. PdPSe: Component‐Fusion‐Based Topology Designer of Two‐Dimensional Semiconductor10.1002/adfm.202102943 ↗
78. Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting10.1021/acs.nanolett.8b02561 ↗