First-principles calculations and experimental investigation on SnO2@ZnO heterojunction photocatalyst with enhanced photocatalytic performance

Chen, Sifan; Liu, Fenning; Xu, Manzhang; Yan, Junfeng; Zhang, Fuchun; Zhao, Wenguang; Zhang, Zhiyong; Deng, Zhouhu; Yun, Jiangni; Chen, Ruiyong; Liu, Chunli

doi:10.1016/j.jcis.2019.06.053

Cited by 86 publications

(26 citation statements)

References 40 publications

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“…These photo-generated charge carriers will react with surface molecules (such as H 2 O, adsorbed O 2 ) to undergo secondary reactions to produce radical species (OH, O − 2 ), which further react with the organic compounds and reduce them to harmless products [4,5]. Since the water splitting phenomenon with titanium dioxide (TiO 2 ) and platinum as electrodes was discovered in 1972, semiconductor photocatalysts, such as TiO 2 , CdO, and ZnO, have been widely investigated due to their excellent electronic and optical properties, non-toxicity, and low cost [6][7][8]. As a kind of II-VI compound semiconductor, ZnO can also serve as a high-activity semiconductor photocatalyst because it has high chemical stability, high carrier mobility, large exciton binding energy (60 meV), mature synthesis technology, and tunable properties [9][10][11].…”

Section: Introductionmentioning

confidence: 99%

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

Wang

Liu

et al. 2020

Materials

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The electronic structures and optical characteristics of yttrium (Y)-doped ZnO monolayers (MLs) with vacancy (zinc vacancy, oxygen vacancy) were investigated by the first-principles density functional theory. Calculations were performed with the GGA+U (generalized gradient approximation plus U) approach, which can accurately estimate the energy of strong correlation semiconductors. The results show that the formation energy values of Y-doped ZnO MLs with zinc or oxygen vacancy (VZn, VO) are positive, implying that the systems are unstable. The bandgap of Y-VZn-ZnO was 3.23 eV, whereas that of Y-VO-ZnO was 2.24 eV, which are smaller than the bandgaps of pure ZnO ML and Y-doped ZnO MLs with or without VO. Impurity levels appeared in the forbidden band of ZnO MLs with Y and vacancy. Furthermore, Y-VZn-ZnO will result in a red-shift of the absorption edge. Compared with the pure ZnO ML, ZnO MLs with one defect (Y, VZn or VO), and Y-VZn-ZnO, the absorption coefficient of Y-VO-ZnO was significantly enhanced in the visible light region. These findings demonstrate that Y-VO-ZnO would have great application potential in photocatalysis.

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Section: Introductionmentioning

confidence: 99%

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

Wang

Liu

et al. 2020

Materials

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“…The obtained DRS-UV results show that the OXA, CA, and IA-SnO 2 nanorods have identi ed red shift regions of the transition. The OXA, CA, and IA-SnO 2 nanoparticles' band gap energies were at 2.5 eV, 2.8 eV, and 3.0 eV, while preparing the low band gap energy compared to the reported band gap values (Chen 2019 et al;Kar et al 2019). The OXA-SnO 2 nanoparticles exhibited lower band gap energies when compared to the CA and IA-SnO 2 materials.…”

Section: Drs Uv-visible Spectroscopymentioning

confidence: 76%

“…For instance, Sirajul (2019) reported that the Cd ions incorporated into the SnO 2 nanoparticles are favoured for the absorption process and thermodynamic studies. Meanwhile, the researchers developed SnO 2 based nanomaterials for several applications such as in electrochemical sensors, solar cells, battery studies, fuel cells, supercapacitors, biological studies and photocatalytic activities (Chen et al 2019;Dilip and Jayaprakash 2018;Honarmand et al 2019;Mao et al 2019;Saravanakumar et al 2019;Singh et al 2019;Sousa et al 2019;Tammina et al 2019;. In case some people used different toxic chemicals and synthesis methods, it has been explained by the morphology and band gap energy.…”

Section: Introductionmentioning

confidence: 99%

Fabrication of different SnO2 nanorods for enhanced photocatalytic degradation and antibacterial activity

Gnanamoorthy

Yadav

Yadav³

et al. 2021

Environ Sci Pollut Res

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The acid-mediated (Oxalic acid [OXA], Cinnamic acid [CA], and itaconic acid [IA]) SnO 2 nanorods were synthesized by the hydrothermal method. The synthesized SnO 2 nanorods, in turn, were analyzed with various physic-chemical techniques such as the X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), scanning electron microscope (SEM), and Raman spectroscopy. Furthermore, the photocatalytic activity of the different SnO 2 nanorods was investigated with the malachite green (MG) dye under visible light illumination. The OXA-SnO 2 nanorods displayed an excellent degradation performance with observed values of 91% compared to other nanomaterials' (CA and IA-SnO 2 ) photocatalytic activity. The different synthesized SnO 2 materials were tested for antibacterial and antifungal studies; this result may be used or developed in future research activities.

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“…Figure 4b presented the high-resolution spectra for Sn 3d. Two peaks at binding energies 492.5 eV and 484 eV can be credited to the binding energies of Sn 3d3/2 and 3d5/2, respectively, which are assigned Sn 4+ cations [19]. The doublet peaks conforming to Zn 2p1/2 and Zn 2p3/2 were spotted, as shown in Figure 3c.…”

Section: Resultsmentioning

confidence: 92%

“…The peak positions of Zn 2p1/2 and Zn 2p3/2 were situated at 1043.3 eV and 1020.5 eV, respectively, and the binding energy distance between Zn 2p1/2 and Zn 2p3/2 is 23.2 eV, signifying the Zn species were Figure 4b presented the high-resolution spectra for Sn 3d. Two peaks at binding energies 492.5 eV and 484 eV can be credited to the binding energies of Sn 3d 3/2 and 3d 5/2 , respectively, which are assigned Sn 4+ cations [19]. The doublet peaks conforming to Zn 2p 1/2 and Zn 2p 3/2 were spotted, as shown in Figure 4c.…”

Section: Resultsmentioning

confidence: 92%

Sputtered SnO2/ZnO Heterostructures for Improved NO2 Gas Sensing Properties

Sharma

Sharma²,

Joshi

et al. 2020

Chemosensors

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A highly sensitive and selective NO2 gas sensor dependent on SnO2/ZnO heterostructures was fabricated using a sputtering process. The SnO2/ZnO heterostructure thin film samples were characterized by field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), Energy-dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). Sensors fabricated with heterostructures attained higher gas response (S = 66.9) and quicker response-recovery (20 s, 45 s) characteristics at 100 °C operating temperature towards 100 ppm NO2 gas efficiently in comparison to sensors based on their mono-counterparts. The selectivity and stability of SnO2/ZnO heterostructures were studied. The more desirable sensing mechanism of SnO2/ZnO heterostructures towards NO2 was described in detail.

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First-principles calculations and experimental investigation on SnO2@ZnO heterojunction photocatalyst with enhanced photocatalytic performance

Cited by 86 publications

References 40 publications

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

Fabrication of different SnO2 nanorods for enhanced photocatalytic degradation and antibacterial activity

Sputtered SnO2/ZnO Heterostructures for Improved NO2 Gas Sensing Properties

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