Spray deposition process of polycrystalline thin films of CuWO4 and study on its photovoltaic electrochemical properties

Pandey, Prashant; Bhave, N. S.; Kharat, R. B.

doi:10.1016/j.matlet.2005.05.018

Cited by 68 publications

(42 citation statements)

References 33 publications

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“…The band structure calculations using hybrid PBE0-13% and WCGGA-PBE-16% functionals provide the band gap values E g =2.32 eV and 2.56 eV, respectively, which agree with the experimental values (2.0 eV [11], 2.25 eV [12,18], 2.3 eV [19]). The calculated PDOS allowed us to interpret the atomic contributions into the electronic bands and show good agreement with the experimental valence-band XPS data from [46].…”

Section: Discussionsupporting

confidence: 77%

“…With a band gap of approximately 2.0-2.3 eV in the thin-film form, CuWO 4 has been suggested as a photoanode material candidate for the photovoltaic electrochemical (PVEC) cell [11,12]. The all-solid-state thin-film lithium batteries, which are based on the nano-sized CuWO 4 positive electrode as proposed in [13], show a high-volume rate capacity in the first discharge and lack the unfavourable electrochemical degradation, observed in liquid electrolyte systems [13].…”

Section: Introductionmentioning

confidence: 99%

“…A small indirect band gap (2.0 eV [11], 2.25 eV [12,18], 2.3 eV [19]) and a high stability against photo-degradation in water [18] make the mesoporous 3 polycrystalline CuWO 4 thin film a promising candidate for an efficient water splitting photocatalyst.…”

Section: Introductionmentioning

confidence: 99%

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Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4

2013

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The electronic, structural and phonon properties of antiferromagnetic triclinic CuWO 4 have been studied using the first-principle spin-polarised linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange-correlation density functional (DFT)/Hartree-Fock (HF) scheme.In addition, the local atomic structure around both Cu and W atoms has been probed using the extended X-ray absorption fine structure (EXAFS) spectroscopy. We show that by using the hybrid DFT-HF functional, one can accurately and simultaneously describe the atomic structure (the unit cell parameters and the atomic fractional coordinates), the band gap and the phonon frequencies. In agreement with our EXAFS results, the LCAO calculations reproduce a strong distortion of both the CuO 6 and the WO 6 octahedra, which occur due to the first-order and second-order Jahn-Teller * Corresponding author Email address: a.kuzmin@cfi.lu.lv (A. Kuzmin) URL: http://www.cfi.lv/ (A. Kuzmin) January 2, 2013 effects, respectively. We found that the HF admixture of 13-16%, which is implemented in the PBE0-13% and WCGGA-PBE-16% functionals, produces the best result for CuWO 4 . The calculated properties agree well with the available experimental data provided by diffraction, optical, X-ray photoelectron and Raman spectroscopies. Preprint submitted to Elsevier

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Section: Discussionsupporting

confidence: 77%

Section: Introductionmentioning

confidence: 99%

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Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4

2013

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“…impedance spectroscopy and conductometry) [10][11][12][13][14][15], spectroscopic techniques such as X-ray photoelectron spectroscopy (XPS), IR and Raman spectroscopies, electron paramagnetic resonance (EPR) [16][17][18][19][20][21], and imaging such as transmission electron (TEM) and scanning electron microscopies (SEM) [22][23][24][25]. In the present work, conductometric analysis is used to characterise the oxygen states operating in CuWO 4 thin-films in the 100°C < T < 500 °C temperature range and under varying O 2 partial pressure.…”

Section: Introductionmentioning

confidence: 99%

Characterization of carrier states in CuWO4 thin-films at elevated temperatures using conductometric analysis

Gonzalez¹,

Dunford²,

Du³

et al. 2013

Journal of Solid State Chemistry

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/npsi/ctrl?lang=en http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/ctrl?lang=fr Access and use of this website and the material on it are subject to the Terms and Conditions set forth at http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/jsp/nparc_cp.jsp?lang=en NRC Publications Archive Archives des publications du CNRCThis publication could be one of several versions: author's original, accepted manuscript or the publisher's version. / La version de cette publication peut être l'une des suivantes : la version prépublication de l'auteur, la version acceptée du manuscrit ou la version de l'éditeur. For the publisher's version, please access the DOI link below./ Pour consulter la version de l'éditeur, utilisez le lien DOI ci-dessous.http://dx.doi.org/10.1016/j.jssc.2013.02.002 Chemistry, 201, pp. 35-40, 2013-02-10 Characterization of carrier states in CuWO4 thin-films at elevated temperatures using conductometric analysis Gonzalez, Carlos M.; Dunford, Jeffrey L.; Du, Xiaomei; Post, Michael L. Abstract: CuWO 4 thin-films were deposited by pulsed laser deposition onto an insulating substrate. The temperature dependence of the electronic conductivity of CuWO 4 thin-films was determined over the 100 °C -500 °C temperature range in a synthetic air atmosphere. Additionally, variations of conductivity at 300°C and 500°C have been measured for oxygen partial pressures (0.1 atm < p(O 2 ) < 0.9 atm) in nitrogen. The apparent activation energy ∆E a for the electrical conduction has been estimated. The study of the temperature effect on the electron transport properties of CuWO 4 thin-films reveals the operation of two temperature-dependent oxygen states. The effect of varying oxygen concentration on the electronic properties is discussed in detail. The electrochemical nature of the operating oxygen states for the 100°C -500 °C temperature range is deduced using a physicochemical model that relates electronic conductivity with oxygen partial pressure and temperature. Journal of Solid State Characterization of Carrier States in CuWO

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“…It also has a conduction band that falls short of the HER and as such would need some form of external bias to split water. Copper tungstate (CuWO 4 ) has a band gap of 2.2 eV and its band edges straddle the HER and OER 40,41 . CuWO 4 unfortunately has poor transport properties that need to be improved before it becomes viable for PEC watersplitting.…”

Section: State-of-the-art Semiconductor Review For Photoelectrochemicmentioning

confidence: 99%

Direct band gap gallium antimonide phosphide (GaSbxP1-x) for solar fuels.

Russell¹

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Photoelectrochemical water splitting has been identified as a promising route for achieving sustainable energy future. However, semiconductor materials with the appropriate optical, electrical and electrochemical properties have yet to be discovered.In search of an appropriate semiconductor to fill this gap, GaSbP, a semiconductor never tested for PEC performance is proposed here and investigated. Density functional theory (DFT+U) techniques were utilized to predict band gap and band edge energetics for GaSbP alloys with low amount of antimony. The overall objective of this dissertation is to understand the suitability of GaSb x P 1-x alloys for photoelectrochemical water splitting application. Specifically, the goals are to develop synthesis methods, grow GaSb x P 1-x alloys, understand their optical and photoelectrochemical properties, and compare experimental values with theoretical predictions.v DFT+U calculations suggested that with less than 1% Sb incorporated into GaP, an indirect to direct band gap transition should occur. Furthermore, predictions with band edge positions for GaSb x P 1-x alloys with small amount of Sb composition suggest band edge straddling of the water splitting reaction. Preliminary experiments were performed using reactive vapor transport in a microwave plasma reactor. The experiments primarily resulted in growing GaSb x P 1-x nanowires. Extensive characterization using electron microscopy and X-ray diffraction and photoluminescence spectroscopy corroborated the predictions using DFT+U calculations. Initial experimentation utilized a plasma transport scheme of Ga and Sb metals with di-tertbutyl-phosphine gas on the reactor to synthesis GaSb x P 1-x nanowires. Transmission Electron Microscopy (TEM) and X-ray Diffraction (XRD) confirmed ternary alloying of these GaSb x P 1-x nanowires. Direct band gaps were observed between 1.7 eV and 2.2eVwith GaSb x P 1-x compositions between 3% and 6%. However, the method used here is not suitable for growing single crystal films.In order to grow single crystal films on silicon substrates, a new reactor was designed and built for halide vapor phase epitaxy method. Experiments using Halide Vapor Phase Epitaxy (HVPE) reactor were conducted using silicon and sapphire substrates. Experiments using excessive Gallium yielded microwire morphologies.Further experiments with reduced Gallium precursor temperature allowed for growth of quality crystalline films on silicon substrate. The films grown at different temperatures exhibited different amounts of antimonide alloying. The resulting samples exhibited direct band gaps of 1.7 to 2.1 eV evidenced by UV-Vis diffuse reflectance spectroscopy.. viRoom temperature photoluminescence corroborated these findings. Photoelectrochemical studies of the HVPE grown samples show that they can be highly photoactive materials under the proper growth conditions. The best performing sample had saturated photovoltages of .75 eV and a photoactivity of 8 mA/cm 2 under unbiased conditions and 4 suns illumination. This photocurre...

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Spray deposition process of polycrystalline thin films of CuWO4 and study on its photovoltaic electrochemical properties

Cited by 68 publications

References 33 publications

Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4

Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4

Characterization of carrier states in CuWO4 thin-films at elevated temperatures using conductometric analysis

Direct band gap gallium antimonide phosphide (GaSbxP1-x) for solar fuels.

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