Facile fabrication of sulfur-doped Cu2O and g-C3N4 with Z-scheme structure for enhanced photocatalytic water splitting performance

Gu, Yaohang; Bao, Ateer; Zhang, Xiaoyan; Yan, Jinhua; Du, Qiang; Zhang, Min; Qi, Xiwei

doi:10.1016/j.matchemphys.2021.124542

Cited by 14 publications

(7 citation statements)

References 58 publications

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“…Compared with Se atoms, Te atoms performs stronger electron-loss characteristics, which can more effectively improve the inherent Cu 2 O carrier transport ability and its conductivity. Compared with Se atoms, Te atoms performs stronger electron-loss properties, which can more effectively improve the weak The VBM of pure Cu 2 O is roughly the same as the data of other documents, and the results from PWC method are closer to the experimental value −5.4 eV [14,32]. The VBM of Cu 2 O 0.94 Te 0.06 has a slight decrease, but higher than the VBM (−5.5 eV) of the perovskite layer (CH 3 NH 3 PbI 3 ) [2], which is an excellent energy level matching status and helps the hole transport.…”

Section: Structural Propertiessupporting

confidence: 68%

“…Zhang et al improvement on the stability and electrocatalytic activity by S-doped Cu 2 O [13]. Gu et al prepared S-doped Cu 2 O nanoparticles, the position of the valence band changed from 0.51 eV to 0.34 eV than pure Cu 2 O [14]. Sharma et al improved the charge transfer performance through Se-doped CuO and can more effectively inhibit electron-hole recombination [15].…”

Section: Introductionmentioning

confidence: 99%

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First-principles study of the crystal structure, electronic and optical properties of Cu₂O_1-xM_x (M = S, Se, Te)

Qirong¹,

Luo²,

Zhang³

et al. 2022

Mater. Res. Express

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Cu2O has the advantages of low price, stable chemical properties, and high visible light absorption rate. It is a very promising hole transport material material in solar cells. However, the pure phase Cu2O has a low hole transport rate, which can be improved it by means of doping or something else. In this paper, based on the first-principles, the performance of different amounts of S, Se, and Te doped Cu2O are calculated, it is found that the Te-doped Cu2O performance is pronounced, with the energy gap reduction (1.871eV), there appear free electron generating, the Highest Occupied Molecular Orbital energy level is matched (-5.463eV), and the absorption coefficient in the ultraviolet and visible range improved, nearly 103.07% at 3.26 eV, the reflectance increased to, for the point 11.7 eV, 76%, and the loss function value is very small in the visible light region (less than 0.1).

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Section: Structural Propertiessupporting

confidence: 68%

Section: Introductionmentioning

confidence: 99%

First-principles study of the crystal structure, electronic and optical properties of Cu₂O_1-xM_x (M = S, Se, Te)

Qirong¹,

Luo²,

Zhang³

et al. 2022

Mater. Res. Express

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“…As for CuO, it is speculated that Cu 2 O is formed by the reduction of CuO by CO and acts as a catalyst for the NO + CO reaction. ,,, Therefore, the focus of this study is Cu 2 O. As an important semiconductor, cuprous oxide (Cu 2 O) has been widely used in several important catalytic reactions, such as CO oxidation, − methanol synthesis, , water–gas conversion reactions, , and NO x conversion. ,, Recent experimental studies show that different surface facets of Cu 2 O nanocrystals have different activities for NO reduction by CO. , Gao et al found that among the three main exposed low-index crystal planes (110), (111), and (100) of Cu 2 O, rhombic dodecahedral nanocrystals with exposed (110) facets possess better catalytic performance for NO reduction by CO than octahedrons with exposed (111) facets and cubes with exposed (100) facets. It is observed that the main product is N 2 O at low temperature, while with the increases of temperature, N 2 , which is mainly produced by N 2 O decomposition, becomes the major product.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of NO Reduction by CO on Cu₂O(110) and Pd₁/Cu₂O(110) Surfaces

Wen

Liu

2021

J. Phys. Chem. C

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Selective catalytic reduction of NO by CO (CO-SCR) is considered as one of the most effective methods for simultaneous removal of two pollutants. The main challenge to achieve this goal is to develop a low-cost, highly effective, and stable catalyst. In this work, on the basis of experimental study, we designed a Pd1/Cu2O(110) single-atom catalyst to improve the selectivity of Cu2O to N2. The reaction mechanisms of NO reduction by CO on the undoped Cu2O(110) and Pd1/Cu2O(110) were studied by using density functional theory and microkinetic models, and the catalytic performance of the two catalysts was compared. The results showed that both surfaces have high CO oxidation activity. Pd doping improves the adsorption strength of NO and CO and changes the preferential configuration of NO on the surface with oxygen vacancies. Possible reaction pathways for the formation of N2 and N2O were located. Microkinetic analysis showed that the overall NO conversion rate and CO2 formation rate on Pd1/Cu2O(110) are much higher than those on Cu2O(110). Compared with the 100% selectivity of N2O on Cu2O(110) at 300–450 K, doping a single Pd atom into the top layer of Cu2O(110) can obtain 100% N2 selectivity in the whole temperature of 300–1000 K. It is further confirmed that the reaction proceeds via the different mechanism on the undoped and Pd-doped surfaces. N2O is formed on Cu2O(110) via the intermediate NNO, while N2 is formed on Pd1/Cu2O(110) via the dimer ONNO. This study is expected to provide a clue for the design of oxide-supported single-atom catalysts for NO reduction.

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“…The performance of heterojunctions in photo-catalytic H 2 production can also be improved by adding new sites in the form of doping or decoration. In these cases, it is worth mentioning the works of Gu et al and Mu et al The former could prove an increased light stability of Cu 2 O by doping it with sulfur in the Z-scheme Cu 2 O/g-C 3 N 4 [79]. Additionally, the plasmonic effect obtained by decorating with Au nanoparticles could increase the photo-catalytic H 2 evolution and the interfacial charge separation in the S-scheme Au/g-C 3 N 4 /Cu 2 O [80].…”

Section: Cu Oxides-based Z-schemes (Family)mentioning

confidence: 99%

Cu-Based Z-Schemes Family Photocatalysts for Solar H2 Production

Greco,

Botella,

Fernández-Catalá

2023

Hydrogen

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Solar photocatalytic H2 production has drawn an increasing amount of attention from the scientific community, industry, and society due to its use of green solar energy and a photocatalyst (semiconductor material) to produce green H2. Cu-based semiconductors are interesting as photocatalysts for H2 production because Cu is earth-abundant, cheap, and the synthesis of its copper-containing semiconductors is straightforward. Moreover, Cu-based semiconductors absorb visible light and present an adequate redox potential to perform water splitting reaction. Nevertheless, pristine Cu-based semiconductors exhibit low photoactivity due to the rapid recombination of photo-induced electron-hole (e−-h+) pairs and are subject to photo corrosion. To remedy these pitfalls, the Cu semiconductor-based Z-scheme family (Z-schemes and S-schemes) presents great interest due to the charge carrier mechanism involved. Due to the interest of Z-scheme photocatalysts in this issue, the basic concepts of the Z-scheme focusing on Cu-based semiconductors are addressed to obtain novel systems with high H2 photo-catalytic activity. Focusing on H2 production using Cu-based Z-schemes photocatalyst, the most representative examples are included in the main text. To conclude, an outlook on the future challenges of this topic is addressed.

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Facile fabrication of sulfur-doped Cu2O and g-C3N4 with Z-scheme structure for enhanced photocatalytic water splitting performance

Cited by 14 publications

References 58 publications

First-principles study of the crystal structure, electronic and optical properties of Cu₂O_1-xM_x (M = S, Se, Te)

First-principles study of the crystal structure, electronic and optical properties of Cu₂O_1-xM_x (M = S, Se, Te)

First-Principles Study of NO Reduction by CO on Cu₂O(110) and Pd₁/Cu₂O(110) Surfaces

Cu-Based Z-Schemes Family Photocatalysts for Solar H2 Production

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Facile fabrication of sulfur-doped Cu2O and g-C3N4 with Z-scheme structure for enhanced photocatalytic water splitting performance

Cited by 14 publications

References 58 publications

First-principles study of the crystal structure, electronic and optical properties of Cu2O1-xMx (M = S, Se, Te)

First-principles study of the crystal structure, electronic and optical properties of Cu2O1-xMx (M = S, Se, Te)

First-Principles Study of NO Reduction by CO on Cu2O(110) and Pd1/Cu2O(110) Surfaces

Cu-Based Z-Schemes Family Photocatalysts for Solar H2 Production

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Product

Resources

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First-principles study of the crystal structure, electronic and optical properties of Cu₂O_1-xM_x (M = S, Se, Te)

First-principles study of the crystal structure, electronic and optical properties of Cu₂O_1-xM_x (M = S, Se, Te)

First-Principles Study of NO Reduction by CO on Cu₂O(110) and Pd₁/Cu₂O(110) Surfaces