Combinatorial Atmospheric Pressure Chemical Vapor Deposition of F:TiO<sub>2</sub>; the Relationship between Photocatalysis and Transparent Conducting Oxide Properties

Kafizas, Andreas; Noor, Nuruzzaman; Carmichael, Penelope; Scanlon, David O.; Carmalt, Claire J.; Parkin, Ivan P.

doi:10.1002/adfm.201301333

Cited by 45 publications

(44 citation statements)

References 91 publications

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“…Under Sn‐poor/O‐rich conditions, the formation energy of F O is raised and those of F i and V Sn are lowered. Under these conditions, the

{normalF}_{normali}^{-}

and

{normalF}_{normalO}^{+}

defect states cross at ≈ 0.03 eV above the CBM trapping the Fermi energy at this point; this “self‐compensation” mechanism has been seen to occur in anatase TiO 2 also . At higher Fermi energies,

V_{Sn}^{4 -}

crosses the

{normalF}_{normalO}^{+}

line at ≈ 0.23 eV above the CBM potentially causing further compensation.…”

Section: Resultsmentioning

confidence: 83%

“…The hybrid functional PBE0 developed by Adamo and Barone was used in order to combat the self‐interaction error and thus allowed for an accurate description of the band gap of SnO 2 . Hybrid functionals were consistently shown to provide improved calculations of both geometry and electronic structure, and PBE0 was shown to predict these properties for tin‐based TCOs with a high degree of accuracy . PBE0 incorporates 25% of exact Fock exchange to the PBE (Perdew, Burke, and Ernzerhoff) formalism.…”

Section: Methodsmentioning

confidence: 99%

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Self‐Compensation in Transparent Conducting F‐Doped SnO₂

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Williamson

Whittles

et al. 2017

Adv Funct Materials

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106

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The factors limiting the conductivity of fluorine-doped tin dioxide (FTO) produced via atmospheric pressure chemical vapor deposition are investigated. Modeling of the transport properties indicates that the measured Hall effect mobilities are far below the theoretical ionized impurity scattering limit. Significant compensation of donors by acceptors is present with a compensation ratio of 0.5, indicating that for every two donors there is approximately one acceptor. Hybrid density functional theory calculations of defect and impurity formation energies indicate the most probable acceptor-type defects. The fluorine interstitial defect has the lowest formation energy in the degenerate regime of FTO. Fluorine interstitials act as singly charged acceptors at the high Fermi levels corresponding to degenerately n-type films. X-ray photoemission spectroscopy of the fluorine impurities is consistent with the presence of substitutional F O donors and interstitial F i in a roughly 2:1 ratio in agreement with the compensation ratio indicated by the transport modeling. Quantitative analysis through Hall effect, X-ray photoemission spectroscopy, and calibrated secondary ion mass spectrometry further supports the presence of compensating fluorine-related defects.

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“…Under Sn‐poor/O‐rich conditions, the formation energy of F O is raised and those of F i and V Sn are lowered. Under these conditions, the

{normalF}_{normali}^{-}

and

{normalF}_{normalO}^{+}

V_{Sn}^{4 -}

crosses the

{normalF}_{normalO}^{+}

line at ≈ 0.23 eV above the CBM potentially causing further compensation.…”

Section: Resultsmentioning

confidence: 83%

Section: Methodsmentioning

confidence: 99%

Self‐Compensation in Transparent Conducting F‐Doped SnO₂

Swallow

Williamson

Whittles

et al. 2017

Adv Funct Materials

Self Cite

106

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“…It is noteworthy that for the CoPi‐modified electrode, BiVO 4 was observed (albeit in a much lower concentration than CoPi) even without sputtering. As XPS is a highly surface‐sensitive technique, where only photoelectron emissions from the first ≈10 nm of material are normally detected, this indicates a non‐uniform coverage of BiVO 4 by CoPi. This result is consistent with SEM images that reveal cracks between isolated CoPi domains (see Supporting Information and previous literature[5e]).…”

Section: Resultsmentioning

confidence: 99%

Photoinduced Absorption Spectroscopy of CoPi on BiVO₄: The Function of CoPi during Water Oxidation

Kafizas

Pendlebury

et al. 2016

Adv Funct Materials

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191

176

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“…This extremely valuable coincidence of properties means TCO find use in a wide variety of applications including for glazing, flat panel displays and solar panels, usually as electrodes. [11][12][13][14][15][16][17][18] The former includes the control of secondary properties through, for example, film preferred orientation to minimise charge carrier obstacles and tune morphology so as to best suit the optical scattering needs of an application. [2][3][4][5][6][7][8] As technologies continue to advance, demands on the hardware, including TCO components, are increasing.…”

Section: Introductionmentioning

confidence: 99%

Influencing FTO thin film growth with thin seeding layers: a route to microstructural modification

et al. 2015

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We report on the seeded growth of fluorine doped tin oxide (FTO) polycrystalline transparent conducting oxide (TCO) thin films on float glass using a novel two-step chemical vapour deposition (CVD) method. Aerosol-assisted CVD (AACVD) was used to grow a seed layer to direct and promote full film growth via an atmospheric pressure CVD (APCVD) overlay. The method allowed for reproducible control over morphology and denser, rougher, higher-performing TCO at a relatively low growth temperature (500 1C). Growth promotion depended on seeding time with an optimal seeding time being present, below which morphology control and conformal coverage was unavailable. The film properties and functional characteristics were characterised by SEM, AFM, XRD, XPS, UV-Vis-Near IR transmittancereflectance and Hall Effect probe measurements. Highly transparent and electrically conductive films, comparable to commercial materials and with high roughness and low transmission haze values indicate the process yields high quality films with a controllable morphology that can be tuned to desired application. The versatile method provides a route towards the morphological control of high-quality FTO thin films with high optical clarity and low-emissivity properties and can be readily extended to a variety of different substrates and metal oxide materials. Fig. 7 Illustrative F-1s XPS sputtered depth profile spectra representative of FTO films formed at various AACVD seed -APCVD overlay times (A), XPS calculated F-1s binding energy positions (B), fluorine dopant concentration (C) and illustrative Sn-3d surface scan (D).

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Combinatorial Atmospheric Pressure Chemical Vapor Deposition of F:TiO₂; the Relationship between Photocatalysis and Transparent Conducting Oxide Properties

Cited by 45 publications

References 91 publications

Self‐Compensation in Transparent Conducting F‐Doped SnO₂

Self‐Compensation in Transparent Conducting F‐Doped SnO₂

Photoinduced Absorption Spectroscopy of CoPi on BiVO₄: The Function of CoPi during Water Oxidation

Influencing FTO thin film growth with thin seeding layers: a route to microstructural modification

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Combinatorial Atmospheric Pressure Chemical Vapor Deposition of F:TiO2; the Relationship between Photocatalysis and Transparent Conducting Oxide Properties

Cited by 45 publications

References 91 publications

Self‐Compensation in Transparent Conducting F‐Doped SnO2

Self‐Compensation in Transparent Conducting F‐Doped SnO2

Photoinduced Absorption Spectroscopy of CoPi on BiVO4: The Function of CoPi during Water Oxidation

Influencing FTO thin film growth with thin seeding layers: a route to microstructural modification

Contact Info

Product

Resources

About

Combinatorial Atmospheric Pressure Chemical Vapor Deposition of F:TiO₂; the Relationship between Photocatalysis and Transparent Conducting Oxide Properties

Self‐Compensation in Transparent Conducting F‐Doped SnO₂

Self‐Compensation in Transparent Conducting F‐Doped SnO₂

Photoinduced Absorption Spectroscopy of CoPi on BiVO₄: The Function of CoPi during Water Oxidation