Vanadium Doping Effect on Multifunctionality of SnO2 Nanoparticles

Roca, Román Alvarez; Desimone, Paula Mariela; Silva, Mitchell da; Ponce, Miguel Adolfo; Longo, E.

doi:10.32732/jma.2020.9.1.38

Cited by 2 publications

(4 citation statements)

References 21 publications

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“…Typically, a larger supercell is connected to larger area for the chemical reactions to take place and can lead to improved photocatalytic activity of SnO 2 . Our approach agrees well with experimental reports 23 , 32 . Specifically, Alvarez-Roca et al 23 investigated at various vanadium doping concentration the X-ray diffraction and transmittance electron microscope for the determination of the structural changes in SnO 2 .…”

Section: Resultssupporting

confidence: 93%

“…Our approach agrees well with experimental reports 23 , 32 . Specifically, Alvarez-Roca et al 23 investigated at various vanadium doping concentration the X-ray diffraction and transmittance electron microscope for the determination of the structural changes in SnO 2 . Similar to our study, the found that the V atoms can be incorporated inside the structure of SnO 2 and at low concentrations the cell volume is reduced.…”

Section: Resultssupporting

confidence: 93%

“…As it is shown in Fig. 2 e, the hybrid functional DFT calculations using PBE0 result in a bandgap value of 3.35 eV 13 , in excellent agreement with the experimentally determined bandgap 23 . Doping with Ta i or V i will result in a small increase of the band gap, however Ta and V at substitutional sites reduce the band gap by about 0.5 eV (refer to Table 2 ).…”

Section: Resultssupporting

confidence: 83%

“…Transition metal elements such as Zn, Mn, Cr etc. have been proposed by researchers as successful dopants which enhance the response and selectivity of SnO 2 20 – 23 . Although various studies 24 – 26 have explored the electrical and optical properties of Ta doped SnO 2 , the applications of this doping method in gas sensor has not be reported or examined.…”

Section: Introductionmentioning

confidence: 99%

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Vanadium and tantalum doping of tin dioxide: a theoretical study

Filippatos,

Kelaidis,

Vasilopoulou

et al. 2023

Sci Rep

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The increasing demand of efficient optoelectronic devices such as photovoltaics has created a great research interest in methods to manipulate the electronic and optical properties of all the layers of the device. Tin dioxide (SnO2), due to his charge transport capability, high stability and easy fabrication is the main electron transport layer in modern photovoltaics which have achieved a record efficiency. While the wide band gap of SnO2 makes it an effective electron transport layer, its potential for other energy applications such as photocatalysis is limited. To further improve is conductivity and reduce its bandgap, doping or co-doping with various elements has been proposed. In the present density functional theory (DFT) study, we focus on the investigation of vanadium (V) and tantalum (Ta) doped SnO2 both in the bulk and the surface. Here we focus on interstitial and substitutional doping aiming to leverage these modifications to enhance the density of states for energy application. These changes also have the potential to influence the optical properties of the material, such as absorption, and make SnO2 more versatile for photovoltaic and photocatalytic applications. The calculations show the formation of gap states near the band edges which are beneficial for the electron transition and in the case of Ta doping the lowest bandgap value is achieved. Interestingly, in the case of Ta interstitial, deep trap states are formed which depending of the application could be advantageous. Regarding the optical properties, we found that V doping significantly increases the refractive index of SnO2 while the absorption is generally improved in all the cases. Lastly, we investigate the electronic properties of the (110) surface of SnO2, and we discuss possible other applications due to surface doping. The present work highlights the importance of V and Ta doping for energy applications and sensor applications.

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Section: Resultssupporting

confidence: 93%

Section: Resultssupporting

confidence: 93%

Section: Resultssupporting

confidence: 83%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Vanadium and tantalum doping of tin dioxide: a theoretical study

Filippatos,

Kelaidis,

Vasilopoulou

et al. 2023

Sci Rep

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High Efficient and Cost Effective Titanium Doped Tin Dioxide Based Photocatalysts Synthesized via Co-precipitation Approach

et al. 2021

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High efficient and large surface area of titanium doped tin dioxide (SnO2) based photocatalysts with various titanium doping contents varying from 0 to 4 mol% have been successfully prepared via a facile, low cost and eco-friendly co-precipitation method. Structural, morphological, textural, microstructural and optical properties of the prepared Ti-SnO2 nanoparticles (NPs) have been investigated by X-ray diffraction (XRD), scanning electron microscope (SEM), the Brunauer–Emmett-Teller (BET) method, Raman spectroscopy, Fourier transform infrared (FTIR), UV-Vis spectroscopy and photoluminescence (PL) spectroscopy. It was found that both undoped and Ti doped SnO2 NPs were crystallized in tetragonal structure and the crystallite sizes have been reduced from 19.9 nm for undoped SnO2 NPs to 13.1 nm for SnO2: Ti 4%. As compared to pure SnO2, a decrease in size and a uniform distribution of spherical aggregates for 4% Ti doped SnO2 sample have been noticed. Nitrogen (N2) adsorption-desorption isotherms of all synthesized NPs indicate that each nanopowder showed a IV type- isotherm with a hysteresis loop resulted in a typical porous materials containing macropores and mesopores. The raman spectra was marked with the appearance of three well resolved peaks including one intense peak centered at 633 cm−1 and two other peaks at about 475 cm−1 and 772 cm−1 which might be ascribed to the characteristic modes of of the SnO2 rutile-type. FTIR spectra of Ti doped SnO2 NPs show a broad band situated in the region from 630 cm−1 to 625 cm−1 for all Ti–SnO2 samples which could be assigned to the stretching vibrations of Sn–O–Sn. Optical studies revealed that the absorption edge of SnO2: Ti NPs showed a redshift with rising titanium concentration. This redshift resulted in a decrease in the optical band gap from 3.31 eV for pure SnO2 to 2.87 eV for 4% Ti doped SnO2 nanoparticles respectively. Rhodamine B dye (RhB) has been adopted to study the photocatalytic degradation of all synthesized Ti–SnO2 NPs. Pure SnO2 NPs has an intrinsic large band gap and it was sensitive to UV light. Thus, pure SnO2 NPs display higher UV photocatalytic performance for decomposing the RhB. Titanium incorporation into SnO2 has widely improved its photocatalytic performance towards RhB photodegradation under UV and Visible light irradiations. Precisely, the 4% Ti–SnO2 based photocatalyst display the highest photacatalytic activity and can degrade both of 95% and 52% of RhB dye within 120 min respectively under UV and visible light irradiations. The enhanced photocatalytic activity of the 4% doped SnO2 photocatalyst was further proved with the minimum PL intensity. The homogeneous incorporation of low Ti contents into the SnO2 matrix allow to a significant reduce in the band gap leading to an efficient separation of photogenerated electron-hole pairs and consequently improves the absorption capability in the visible light.

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Vanadium Doping Effect on Multifunctionality of SnO2 Nanoparticles

Cited by 2 publications

References 21 publications

Vanadium and tantalum doping of tin dioxide: a theoretical study

Vanadium and tantalum doping of tin dioxide: a theoretical study

High Efficient and Cost Effective Titanium Doped Tin Dioxide Based Photocatalysts Synthesized via Co-precipitation Approach

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