First-principles study on electronic, magnetic properties and optical absorption of vanadium doped rutile TiO2

Zhu, Haiou; Wang, X.H.; Zhou, Detao; Jiang, Haochuan; Liu, X.M.

doi:10.1016/j.physleta.2020.126637

Cited by 8 publications

(1 citation statement)

References 47 publications

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“…Previously, 16−18 we used vanadium as a dopant in TiO 2 nanoparticles deposited by inert gas condensation. We found the incorporation site of vanadium to be substitutional to titanium, with both 4+ and 5+ oxidation states; 17 levels, 19 which lead to a red shift of optical absorption, also in agreement with a recent computational work by Zhou et al 20 The nanoparticles were deposited on a conductive substrate to obtain nanostructured and porous photoanodes used in a photoelectrochemical cell (PEC) for water splitting or were suspended in a solution for photocatalytic conversion of organic compounds. The use of nanostructured photoanodes brings benefits in terms of efficiency, thanks to the increased surface-tovolume ratio, but, on the other hand, charge transport properties of the material can be detrimentally affected.…”

Section: ■ Introductionsupporting

confidence: 88%

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO₂ Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

et al. 2020

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Light absorption and charge transport in oxide semiconductors can be tuned by the introduction, during deposition, of a small quantity of foreign elements, leading to the improvement of the photoelectrocatalytic performance. In this work, both unmodified and vanadium-modified TiO 2 thin films deposited by radio-frequency magnetron sputtering are investigated as photoanodes for photoelectrochemical water splitting. Following a structural characterization by X-ray diffraction, atomic force microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy, photoelectrocatalysis is discussed based on ultrafast transient absorbance spectroscopy measurements. In particular, three different pump wavelengths from UV to the visible range are used (300, 390, and 530 nm) in order to cover the relevant photoactive spectral range of modified TiO 2 . Incident photon-to-current conversion efficiency spectra show that incorporation of vanadium in TiO 2 extends water splitting in the visible range up to ≈530 nm, a significant improvement compared to unmodified TiO 2 that is active only in the UV range ≲390 nm. However, transient absorbance spectroscopy clearly reveals that vanadium accelerates electron−hole recombination upon UV irradiation, resulting in a lower photon-to-current conversion efficiency in the UV spectral range with respect to unmodified TiO 2 . The new photoelectrocatalytic activity in the visible range is attributed to a V-induced introduction of intragap levels at ≈2.2 eV below the bottom of the conduction band. This is confirmed by long-living transient signals due to electrons photoexcited into the conduction band after visible light (530 nm) pulses. The remaining holes migrate to the semiconductor−electrolyte interface where they are captured by long-lived traps and eventually promote water oxidation under visible light.

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Section: ■ Introductionsupporting

confidence: 88%

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO₂ Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

et al. 2020

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Effect of vanadium and tungsten doping on the structural, optical, and electronic characteristics of TiO2 nanoparticles

Mohamed

Badawi

Abdellatief³

2022

J Mater Sci: Mater Electron

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Pulsed laser deposited Cobalt doped Ti0.9Fe0.1-xO2 thin films: Structural, morphological, magnetic, optical and electrical properties

Waseem

Anjuma

Zeeshan

et al. 2021

Ceramics International

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First-principles study on electronic, magnetic properties and optical absorption of vanadium doped rutile TiO2

Cited by 8 publications

References 47 publications

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO₂ Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO₂ Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

Effect of vanadium and tungsten doping on the structural, optical, and electronic characteristics of TiO2 nanoparticles

Pulsed laser deposited Cobalt doped Ti0.9Fe0.1-xO2 thin films: Structural, morphological, magnetic, optical and electrical properties

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First-principles study on electronic, magnetic properties and optical absorption of vanadium doped rutile TiO2

Cited by 8 publications

References 47 publications

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO2 Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO2 Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

Effect of vanadium and tungsten doping on the structural, optical, and electronic characteristics of TiO2 nanoparticles

Pulsed laser deposited Cobalt doped Ti0.9Fe0.1-xO2 thin films: Structural, morphological, magnetic, optical and electrical properties

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Product

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Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO₂ Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting

Ultrafast Charge Carrier Dynamics in Vanadium-Modified TiO₂ Thin Films and Its Relation to Their Photoelectrocatalytic Efficiency for Water Splitting