Efficient photocatalytic overall water splitting for hydrogen evolution and CO2 reduction with SiCP4 allotrope monolayers
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OpenAlex topics: Advanced Photocatalysis Techniques · Quantum Dots Synthesis And Properties · 2D Materials and Applications
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References (69)
Show source-provided references
1. Advanced oxidation processes for wastewater treatment: emerging green chemical technology
2. A first-principles study of two-dimensional NbSe2H/g-ZnO van der Waals heterostructures as a water splitting photocatalyst10.1039/D1CP03565G ↗
3. Role of oxygen vacancy in metal oxides for photocatalytic CO2 reduction
4. Y.H.R. Chang, K.Y. Yao, K.H. Yeoh, M.Yoshiya, J.Jiang, M.H. Tuh, H.Y. Khong, T.Leng Lim, Strain-Induced SiP–PtS2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion, J. Phys. Chem. C. 127(26) (2023) 12760–12769. https://doi.org/10.1021/acs.jpcc.3c02431.10.1021/acs.jpcc.3c02431 ↗
5. Forecasting the unrevealed surface-controlled photocatalytic water splitting in two-dimensional Ag2Se with ultrafast carrier mobility: a first-principles study10.1039/D3CY00628J ↗
6. Photocatalytic CO2 reduction: A review of ab initio mechanism, kinetics, and multiscale modeling simulations10.1021/acscatal.0c02557 ↗
7. L. Liao, Q. Zhang, Z.H. Su, Z.Z. Zhao, Y. Wang, Y. Li, X.X. Lu, D.G. Wei, G.Y. Feng, Q.K. Yu, X.J Cai, J. Zhao, Z.F. Ren, H. Fang, F.R. Hernandez, S. Baldelli, J. Bao, Efficient solar water-splitting using a nanocrystalline CoO photocatalyst, Nat. Nanotechnol. 9(1) (2014) 69-73. https://doi.org/10.1038/nnano.2013.272.10.1038/nnano.2013.272 ↗
8. Electrochemical photolysis of water at a semiconductor electrode10.1038/238037a0 ↗
9. Preparation of water-compatible molecularly imprinted thiol-functionalized activated titanium dioxide: Selective adsorption and efficient photodegradation of 2, 4-dinitrophenol in aqueous solution10.1016/j.jhazmat.2017.12.032 ↗
10. Photoelectrocatalytic reduction of carbon dioxide in aqueous suspensions of semiconductor powders10.1038/277637a0 ↗
11. Heterogeneous photocatalyst materials for water splitting10.1039/B800489G ↗
12. Photocatalytic CO2 reduction10.1038/s43586-023-00243-w ↗
13. Electric field effect in atomically thin carbon films10.1126/science.1102896 ↗
14. Two-dimensional gas of massless Dirac fermions in graphene10.1038/nature04233 ↗
15. Achieving type-II SnSSe/as van der waals heterostructure with satisfactory oxygen tolerance for optoelectronic and photovoltaic applications
16. Black phosphorene/monolayer transition-metal dichalcogenides as two-dimensional van der Waals heterostructures: a first-principles study10.1039/C5CP07585H ↗
17. Electronic structures and enhanced photocatalytic properties of blue phosphorene/BSe van der Waals heterostructures10.1039/C8TA01019F ↗
18. Electrical and optical properties of germanene on single-layer BeO substrate10.1021/acs.jpcc.6b06161 ↗
19. Red-phosphorus-impregnated carbon nanofibers for sodium-ion batteries and liquefaction of red phosphorus10.1038/s41467-020-16077-z ↗
20. Fibrous phase red phosphorene as a new photocatalyst for carbon dioxide reduction and hydrogen evolution10.1002/smll.202008004 ↗
21. A review of phosphorus structures as CO2 reduction photocatalysts10.1002/smll.202207840 ↗
22. Red phosphorus: an elemental photocatalyst for hydrogen formation from water10.1016/j.apcatb.2011.10.028 ↗
23. Black phosphorus field-effect transistors10.1038/nnano.2014.35 ↗
24. Prediction of green phosphorus with tunable direct band gap and high mobility10.1021/acs.jpclett.7b02153 ↗
25. M.Z. Rahman, M. Batmunkh, M. Bat-Erdene, J.G. Shapter, C.B. Mullins, p-Type BP nanosheet photocatalyst with AQE of 3.9% in the absence of a noble metal cocatalyst: investigation and elucidation of photophysical properties, J. Mater. Chem. A. 6(38) (2018) 18403-18408. https://doi.org/10.1039/C8TA07034B.10.1039/C8TA07034B ↗
26. A critical review on black phosphorus based photocatalytic CO2 reduction application10.1002/smll.202102155 ↗
27. Theoretical design of blue phosphorene/arsenene lateral heterostructures with superior electronic properties10.1088/1361-6463/aac563 ↗
28. A metal-free polymeric photocatalyst for hydrogen production from water under visible light10.1038/nmat2317 ↗
29. Ab initio study of electronic and optical behavior of two-dimensional silicon carbide10.1039/c3tc00629h ↗
30. Boosting of water splitting using the chemical energy simultaneously harvested from light, kinetic energy and electrical energy using N doped 4H-SiC nanohole arrays10.1016/j.nanoen.2022.107876 ↗
31. The high-throughput highway to computational materials design10.1038/nmat3568 ↗
32. High-throughput computational discovery and intelligent design of two-dimensional functional materials for various applications10.1021/accountsmr.1c00246 ↗
33. Allotropes selection apropos of photocatalytic CO2 reduction from first principles studies
34. pyGWBSE: a high throughput workflow package for GW-BSE calculations10.1038/s41524-023-00976-y ↗
35. R.O. Jones. Density functional theory: Its origins, rise to prominence, and future, Rev. Mod. Phys. 87(3) (2015) 897. Jones, R. O. (2015). Density functional theory: Its origins, rise to prominence, and future. Reviews of Modern Physics, 87(3), 897–923. https://doi.org/10.1103/revmodphys.87.897.10.1103/RevModPhys.87.897 ↗
36. Two dimensional allotropes of arsenene with a wide range of high and anisotropic carrier mobility10.1039/C8CP06162A ↗
37. Efficient infrared-light-driven CO2 reduction over ultrathin metallic Ni-doped CoS2 nanosheets10.1002/anie.202017041 ↗
38. Topotactic transformation of bismuth oxybromide into bismuth tungstate: bandgap modulation of single-crystalline {001}-Faceted nanosheets for enhanced photocatalytic CO2 reduction10.1021/acsami.9b15950 ↗
39. UV and visible light photocatalytic activity of Au/TiO2 nanoforests with Anatase/Rutile phase junctions and controlled Au locations10.1038/srep41253 ↗
40. Two-dimensional MoSSe/g-GeC van der waals heterostructure as promising multifunctional system for solar energy conversion10.1016/j.apsusc.2021.148952 ↗
41. Surface-halogenation-induced atomic-site activation and local charge separation for superb CO2 photoreduction10.1002/adma.201900546 ↗
42. Arsenic carbide allotropes prediction: An efficient platform for hole-conductions, optical and photocatalysis applications
43. SiCP4 monolayer with a direct band gap and high carrier mobility for photocatalytic water splitting10.1021/acs.jpclett.1c03708 ↗
44. Crystal structure prediction using ab initio evolutionary techniques: principles and applications10.1063/1.2210932 ↗
45. How evolutionary crystal structure prediction works - and why10.1021/ar1001318 ↗
46. New developments in volutionary structure prediction algorithm USPEX10.1016/j.cpc.2012.12.009 ↗
47. How to predict very large and complex crystal structures
48. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
49. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
50. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
51. Influence of the exchange screening parameter on the performance of screened hybrid functionals10.1063/1.2404663 ↗
52. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
53. An extension of the canonical ensemble molecular dynamics method10.1080/00268978600100141 ↗
54. Comparison of DFT methods for molecular orbital eigenvalue calculations10.1021/jp061633o ↗
55. First principles methods using CASTEP10.1524/zkri.220.5.567.65075 ↗
56. First-principles simulation: ideas, illustrations and the CASTEP code10.1088/0953-8984/14/11/301 ↗
57. Layer-dependent band alignment and work function of few-layer phosphorene10.1038/srep06677 ↗
58. Newfound two-dimensional Bi2Se3 monolayers for driving hydrogen evolution reaction with the visible-light10.1016/j.apsusc.2021.150389 ↗
59. Blue phosphorene/Sc2CX2 (X = O, F) van der Waals heterostructures as suitable candidates for water-splitting photocatalysts and solar cells10.1039/D0SE01097A ↗
60. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution10.1038/nmat1752 ↗
61. PdSeO3 monolayer: promising inorganic 2D photocatalyst for direct overall water splitting without using sacrificial reagents and cocatalysts10.1021/jacs.8b07855 ↗
62. Electrolysis of water on oxide surfaces10.1016/j.jelechem.2006.11.008 ↗
63. Single site cobalt substitution in 2D molybdenum carbide (MXene) enhances catalytic activity in the hydrogen evolution reaction10.1021/jacs.9b08897 ↗
64. Nanocatalysts for electrocatalytic oxidation of ethanol10.1002/cssc.201803063 ↗
65. Y. Gao, S. Liang, B. Liu, B. Liu, C.X. Jiang, C.Y. Xu, X.Y. Zhang, P. Liang, Me. Elimelech, X. Huang, Subtle tuning of nanodefects actuates highly efficient electrocatalytic oxidation, Nat. Commun. 14(1) (2023) 2059. https://doi.org/10.1038/s41467-023-37676-6.10.1038/s41467-023-37676-6 ↗
66. A modulated electronic state strategy designed to integrate active HER and OER components as hybrid heterostructures for efficient overall water splitting10.1016/j.apcatb.2019.118197 ↗
67. Understanding the role of central metal and coordination environment of single atom catalysts embedded in graphene flakes on CO2RR performance10.1007/s10853-023-09012-2 ↗
68. Y.W. Li, H.B. Su, S.H. Chan Q. Sun, CO2 electroreduction performance of transition metal dimers supported on graphene: a theoretical study. ACS Catal. 25.11 (2015): 6658-6664. https://doi.org/10.1021/acscatal.5b01165.10.1021/acscatal.5b01165 ↗
69. Single-atom catalysts for CO2 electroreduction with significant activity and selectivity improvements10.1039/C6SC03911A ↗