1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells

Amita Singh, Pooja Singh, Gabriele Kociok-köhn, Manoj Trivedi, Abhinav Kumar, Ratna Chauhan, Sunit B. Rane, Chiaki Terashima, Suresh W. Gosavi, Akira Fujishima

Research output: Contribution to journalArticle

Abstract

Herein, two new Ni(dppf)dithiolates in which dithiolate ligands comprise 2,2-diacetyl (D-1) and 2-nitro (D-2) anchors have been synthesized and characterized using microanalyses, FTIR, 1H and 13C NMR spectroscopy, as well as single-crystal X-ray diffraction. The X-ray crystallographic studies indicate that in both compounds, the geometry around the Ni(II) center can be described as distorted square planar, which is defined by the two sulfur centers of the dinegative dithiolate ligands and two phosphorus centers of the neutral dppf ligand. The electronic absorption spectra for both sensitizers display a blue shift when compared with the characteristic electronic absorption spectrum of the dppf ligand in a similar wavelength region. The photovoltaic performances and charge transport properties (EIS spectra) were studied to evaluate the performance of the synthesized dye in DSSCs. Upon comparing both dyes, it was found that the dye with the nitro anchor (D-2) showed better photovoltaic performance than the dye with the ketonic anchor (D-1). The superior performance of D-2 suggests better anchorage and superior dye loading capability on the TiO2 surface, which suppresses charge recombination, prolongs electron lifetime, and decreases the total resistance of DSSCs. The assembly fabricated using D-2 showed best performance with an overall conversion efficiency, η, of 3.21%, Jsc of 7.96 mA cm−2, and Voc of −0.654 V. The obtained efficiency is ∼46% that of today's state-of-the-art N719 dye under similar conditions. The probable reasons for the poor performance of both dyes have been addressed with the help of theoretical calculations.
LanguageEnglish
Pages9306-9316
JournalNew Journal of Chemistry
Volume42
Issue number11
Early online date23 Apr 2018
DOIs
StatusPublished - 7 Jun 2018

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Nickel
Coloring Agents
Dyes
Anchors
Ligands
Absorption spectra
Diacetyl
Microanalysis
Dye-sensitized solar cells
1,1'-bis(diphenylphosphino)ferrocene
Sulfur
Transport properties
Phosphorus
Nuclear magnetic resonance spectroscopy
Conversion efficiency
Charge transfer
Single crystals
X ray diffraction
X rays
Wavelength

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1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells. / Singh, Amita; Singh, Pooja; Kociok-köhn, Gabriele; Trivedi, Manoj; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit B.; Terashima, Chiaki; Gosavi, Suresh W.; Fujishima, Akira.

In: New Journal of Chemistry, Vol. 42, No. 11, 07.06.2018, p. 9306-9316.

Research output: Contribution to journalArticle

Singh, A, Singh, P, Kociok-köhn, G, Trivedi, M, Kumar, A, Chauhan, R, Rane, SB, Terashima, C, Gosavi, SW & Fujishima, A 2018, '1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells' New Journal of Chemistry, vol. 42, no. 11, pp. 9306-9316. https://doi.org/10.1039/C8NJ00855H
Singh, Amita ; Singh, Pooja ; Kociok-köhn, Gabriele ; Trivedi, Manoj ; Kumar, Abhinav ; Chauhan, Ratna ; Rane, Sunit B. ; Terashima, Chiaki ; Gosavi, Suresh W. ; Fujishima, Akira. / 1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells. In: New Journal of Chemistry. 2018 ; Vol. 42, No. 11. pp. 9306-9316.
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AU - Singh, Amita

AU - Singh, Pooja

AU - Kociok-köhn, Gabriele

AU - Trivedi, Manoj

AU - Kumar, Abhinav

AU - Chauhan, Ratna

AU - Rane, Sunit B.

AU - Terashima, Chiaki

AU - Gosavi, Suresh W.

AU - Fujishima, Akira

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AB - Herein, two new Ni(dppf)dithiolates in which dithiolate ligands comprise 2,2-diacetyl (D-1) and 2-nitro (D-2) anchors have been synthesized and characterized using microanalyses, FTIR, 1H and 13C NMR spectroscopy, as well as single-crystal X-ray diffraction. The X-ray crystallographic studies indicate that in both compounds, the geometry around the Ni(II) center can be described as distorted square planar, which is defined by the two sulfur centers of the dinegative dithiolate ligands and two phosphorus centers of the neutral dppf ligand. The electronic absorption spectra for both sensitizers display a blue shift when compared with the characteristic electronic absorption spectrum of the dppf ligand in a similar wavelength region. The photovoltaic performances and charge transport properties (EIS spectra) were studied to evaluate the performance of the synthesized dye in DSSCs. Upon comparing both dyes, it was found that the dye with the nitro anchor (D-2) showed better photovoltaic performance than the dye with the ketonic anchor (D-1). The superior performance of D-2 suggests better anchorage and superior dye loading capability on the TiO2 surface, which suppresses charge recombination, prolongs electron lifetime, and decreases the total resistance of DSSCs. The assembly fabricated using D-2 showed best performance with an overall conversion efficiency, η, of 3.21%, Jsc of 7.96 mA cm−2, and Voc of −0.654 V. The obtained efficiency is ∼46% that of today's state-of-the-art N719 dye under similar conditions. The probable reasons for the poor performance of both dyes have been addressed with the help of theoretical calculations.

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