Tailoring benzo[<i>α</i>]phenoxazine moiety for efficient photosensitizers in dye sensitized solar cells <i>via</i> the DFT/TD-DFT method

Sahoo, Suprabha S.; Murmu, Manilal; Banerjee, Priyabrata; Pathan, Habib M.; Salunke‐Gawali, Sunita

doi:10.1039/d2nj02589b

Cited by 7 publications

(1 citation statement)

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“…The four main components used in the fabrication of DSSCs are the photoanode material (semiconductor), the dye molecule (a photosensitizer), the redox electrolyte, and the counter electrode. − In 1991, Grätzel and O’Regan published the first study on DSSCs using N3 dye as a photosensitizer . Numerous studies in this field since the original work on DSSCs have primarily shown that various dyes (photosensitizers) have been molecularly engineered and used in DSSCs. − The production of novel photosensitizers that can be developed in DSSCs is an essential component affecting device efficiency. − …”

Section: Introductionmentioning

confidence: 99%

Comparative Study of TiO₂, ZnO, and Nb₂O₅ Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Beedri,

Dani,

Gaikwad

et al. 2023

ACS Omega

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This research focuses on the first demonstration of NO2Lw (2-hydroxy-3-nitronaphthalene-1,4-dione) as a photosensitizer and TiO2, ZnO, and Nb2O5 as photoanode materials for dye-sensitized solar cells (DSSCs). The metal-free organic photosensitizer (i.e., nitro-group-substituted naphthoquinone, NO2Lw) was synthesized for this purpose. As a photoanode material, metal oxides, such as TiO2, ZnO, and Nb2O5, were selected. The synthesized NO2Lw contains an electron-withdrawing group (−NO2) and anchoring groups (−OH) that exhibit absorption in the visible range. The UV–visible absorbance spectrum of NO2Lw demonstrates the absorption ascribed to ultraviolet and visible region charge transfer. The NO2Lw interacts with the TiO2, ZnO, and Nb2O5 photoanode, as shown by bathochromic shifts in wavelengths in the photosensitizer-loaded TiO2, ZnO, and Nb2O5 photoanodes. FT-IR analysis also studied the bonding interaction between NO2Lw and TiO2, ZnO, and Nb2O5 photoanode material. The TiO2, ZnO, and Nb2O5 photoanodes loaded with NO2Lw exhibit a shift in the wavenumber of the functional groups, indicating that these groups were involved in loading the NO2Lw photosensitizer. The amount of photosensitizer loading was calculated, showing that TiO2 has higher loading than ZnO and Nb2O5 photoanodes; this factor may constitute an increased J SC value of the TiO2 photoanode. The device performance is compared using photocurrent–voltage (J–V) curves; electrochemical impedance spectroscopy (EIS) measurement examines the device’s charge transport. The TiO2 photoanode showed higher performance than the ZnO and Nb2O5 photoanodes in terms of photoelectrochemical properties. When compared to ZnO and Nb2O5 photoanodes-based DSSCs, the TiO2 photoanode Bode plot shows a signature frequency peak corresponding to electron recombination rate toward the low-frequency region, showing that TiO2 has a greater electron lifetime than ZnO and Nb2O5 photoanodes based DSSCs.

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Section: Introductionmentioning

confidence: 99%

Comparative Study of TiO₂, ZnO, and Nb₂O₅ Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Beedri,

Dani,

Gaikwad

et al. 2023

ACS Omega

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Computational Insights into the Fusion of Thiophene to Aza BODIPY Based Molecules for Better Organic Solar Cell Applications

Rwithik,

Ebenezer,

Solomon

2024

Chemical Physics Impact

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Exploring the feasibility of monolayer Mg2N as an anode material for alkali metal ion batteries: A first principle calculation

Peng

Zhang

Wang

et al. 2023

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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Tailoring benzo[α]phenoxazine moiety for efficient photosensitizers in dye sensitized solar cells via the DFT/TD-DFT method

Abstract: Three benzo[]phenoxazine-based dyes have been designed by tailoring donor (D) and anchoring (A) moiety to benzo[]phenoxazine template via DFT and TD-DFT method for Dye-sensitized solar cells (DSSCs) application. The transformation...

Cited by 7 publications

References 64 publications

Comparative Study of TiO₂, ZnO, and Nb₂O₅ Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Comparative Study of TiO₂, ZnO, and Nb₂O₅ Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Computational Insights into the Fusion of Thiophene to Aza BODIPY Based Molecules for Better Organic Solar Cell Applications

Exploring the feasibility of monolayer Mg2N as an anode material for alkali metal ion batteries: A first principle calculation

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Tailoring benzo[α]phenoxazine moiety for efficient photosensitizers in dye sensitized solar cells via the DFT/TD-DFT method

Abstract: Three benzo[]phenoxazine-based dyes have been designed by tailoring donor (D) and anchoring (A) moiety to benzo[]phenoxazine template via DFT and TD-DFT method for Dye-sensitized solar cells (DSSCs) application. The transformation...

Cited by 7 publications

References 64 publications

Comparative Study of TiO2, ZnO, and Nb2O5 Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Comparative Study of TiO2, ZnO, and Nb2O5 Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Computational Insights into the Fusion of Thiophene to Aza BODIPY Based Molecules for Better Organic Solar Cell Applications

Exploring the feasibility of monolayer Mg2N as an anode material for alkali metal ion batteries: A first principle calculation

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Comparative Study of TiO₂, ZnO, and Nb₂O₅ Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells

Comparative Study of TiO₂, ZnO, and Nb₂O₅ Photoanodes for Nitro-Substituted Naphthoquinone Photosensitizer-Based Solar Cells