Optical-Vibrational Properties of the Cs2SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells

Andreas Kaltzoglou; Maria Antoniadou; Athanassios G. Kontos; Constantinos C. Stoumpos; Dorothea Perganti; Eirini Siranidi; Vasilios Raptis; Kalliopi Trohidou; Vassilis Psycharis; Mercouri G. Kanatzidis; Polycarpos Falaras

doi:10.1021/acs.jpcc.6b02175

Optical-Vibrational Properties of the Cs₂SnX₆ (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells

Andreas Kaltzoglou, Maria Antoniadou, Athanassios G. Kontos, Constantinos C. Stoumpos, Dorothea Perganti, Eirini Siranidi, Vasilios Raptis, Kalliopi Trohidou, Vassilis Psycharis, Mercouri G. Kanatzidis, Polycarpos Falaras^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

240 Scopus citations

Abstract

We report the vibrational and optical properties of the 'defect' perovskites Cs₂SnX₆ (X = Cl, Br, I) as well as their use as hole-transporting materials (HTMs) in solar cells. All three air-stable compounds were characterized using powder X-ray diffraction and Rietveld refinement. Far-IR reflectance, Raman, and UV-vis spectroscopy as well as electronic band structure calculations show that the compounds are direct band gap semiconductors with a pronounced effect of the halogen atom on the size of the energy gap and the vibrational frequencies. Scanning electron microscopy and atomic force microscopy confirmed that the morphology of the perovskite films deposited from N,N-dimethylformamide solutions on TiO₂ substrates also strongly depends on the chemical composition of the materials. The Cs₂SnX₆ perovskites were introduced as hole-transporting materials in dye-sensitized solar cells, based on mesoporous titania electrodes sensitized with various organic and metal-organic dyes. The solar cells based on Cs₂SnI₆ HTM and the Z907 dye performed best with a maximum power conversion efficiency of 4.23% at 1 sun illumination. The higher performance of Cs₂SnI₆ is attributed to efficient charge transport in the bulk material and hole extraction at the perovskite-Pt interface, as evidenced by electrochemical impedance spectroscopy.

Original language	English (US)
Pages (from-to)	11777-11785
Number of pages	9
Journal	Journal of Physical Chemistry C
Volume	120
Issue number	22
DOIs	https://doi.org/10.1021/acs.jpcc.6b02175
State	Published - Jun 9 2016

Funding

We gratefully acknowledge Dimitrios Palles and Eustratios Kamitsos who recorded the far-IR reflectance spectra and performed the Kramers-Kronig transformation. Financial support from FP7 European Union (Marie Curie Initial Training Network DESTINY/316494) as well as from "Advanced Materials and Devices for Collection and Energy Management" project within GSRT's KRIPIS action, funded by Greece and the European Regional Development Fund of the European Union under NSRF 2007-2013 and the Regional Operational Program of Attica are acknowledged. At Northwestern, research was supported by the ANSER Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0001059.

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
General Energy
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

Access to Document

10.1021/acs.jpcc.6b02175

Cite this

Kaltzoglou, A., Antoniadou, M., Kontos, A. G., Stoumpos, C. C., Perganti, D., Siranidi, E., Raptis, V., Trohidou, K., Psycharis, V., Kanatzidis, M. G., & Falaras, P. (2016). Optical-Vibrational Properties of the Cs₂SnX₆ (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells. Journal of Physical Chemistry C, 120(22), 11777-11785. https://doi.org/10.1021/acs.jpcc.6b02175

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title = "Optical-Vibrational Properties of the Cs2SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells",

abstract = "We report the vibrational and optical properties of the 'defect' perovskites Cs2SnX6 (X = Cl, Br, I) as well as their use as hole-transporting materials (HTMs) in solar cells. All three air-stable compounds were characterized using powder X-ray diffraction and Rietveld refinement. Far-IR reflectance, Raman, and UV-vis spectroscopy as well as electronic band structure calculations show that the compounds are direct band gap semiconductors with a pronounced effect of the halogen atom on the size of the energy gap and the vibrational frequencies. Scanning electron microscopy and atomic force microscopy confirmed that the morphology of the perovskite films deposited from N,N-dimethylformamide solutions on TiO2 substrates also strongly depends on the chemical composition of the materials. The Cs2SnX6 perovskites were introduced as hole-transporting materials in dye-sensitized solar cells, based on mesoporous titania electrodes sensitized with various organic and metal-organic dyes. The solar cells based on Cs2SnI6 HTM and the Z907 dye performed best with a maximum power conversion efficiency of 4.23% at 1 sun illumination. The higher performance of Cs2SnI6 is attributed to efficient charge transport in the bulk material and hole extraction at the perovskite-Pt interface, as evidenced by electrochemical impedance spectroscopy.",

author = "Andreas Kaltzoglou and Maria Antoniadou and Kontos, {Athanassios G.} and Stoumpos, {Constantinos C.} and Dorothea Perganti and Eirini Siranidi and Vasilios Raptis and Kalliopi Trohidou and Vassilis Psycharis and Kanatzidis, {Mercouri G.} and Polycarpos Falaras",

note = "Funding Information: We gratefully acknowledge Dimitrios Palles and Eustratios Kamitsos who recorded the far-IR reflectance spectra and performed the Kramers-Kronig transformation. Financial support from FP7 European Union (Marie Curie Initial Training Network DESTINY/316494) as well as from {"}Advanced Materials and Devices for Collection and Energy Management{"} project within GSRT's KRIPIS action, funded by Greece and the European Regional Development Fund of the European Union under NSRF 2007-2013 and the Regional Operational Program of Attica are acknowledged. At Northwestern, research was supported by the ANSER Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0001059. Publisher Copyright: {\textcopyright} 2016 American Chemical Society.",

year = "2016",

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doi = "10.1021/acs.jpcc.6b02175",

language = "English (US)",

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Kaltzoglou, A, Antoniadou, M, Kontos, AG, Stoumpos, CC, Perganti, D, Siranidi, E, Raptis, V, Trohidou, K, Psycharis, V, Kanatzidis, MG & Falaras, P 2016, 'Optical-Vibrational Properties of the Cs₂SnX₆ (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells', Journal of Physical Chemistry C, vol. 120, no. 22, pp. 11777-11785. https://doi.org/10.1021/acs.jpcc.6b02175

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T1 - Optical-Vibrational Properties of the Cs2SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells

AU - Kaltzoglou, Andreas

AU - Antoniadou, Maria

AU - Kontos, Athanassios G.

AU - Stoumpos, Constantinos C.

AU - Perganti, Dorothea

AU - Siranidi, Eirini

AU - Raptis, Vasilios

AU - Trohidou, Kalliopi

AU - Psycharis, Vassilis

AU - Kanatzidis, Mercouri G.

AU - Falaras, Polycarpos

N1 - Funding Information: We gratefully acknowledge Dimitrios Palles and Eustratios Kamitsos who recorded the far-IR reflectance spectra and performed the Kramers-Kronig transformation. Financial support from FP7 European Union (Marie Curie Initial Training Network DESTINY/316494) as well as from "Advanced Materials and Devices for Collection and Energy Management" project within GSRT's KRIPIS action, funded by Greece and the European Regional Development Fund of the European Union under NSRF 2007-2013 and the Regional Operational Program of Attica are acknowledged. At Northwestern, research was supported by the ANSER Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0001059. Publisher Copyright: © 2016 American Chemical Society.

PY - 2016/6/9

Y1 - 2016/6/9

N2 - We report the vibrational and optical properties of the 'defect' perovskites Cs2SnX6 (X = Cl, Br, I) as well as their use as hole-transporting materials (HTMs) in solar cells. All three air-stable compounds were characterized using powder X-ray diffraction and Rietveld refinement. Far-IR reflectance, Raman, and UV-vis spectroscopy as well as electronic band structure calculations show that the compounds are direct band gap semiconductors with a pronounced effect of the halogen atom on the size of the energy gap and the vibrational frequencies. Scanning electron microscopy and atomic force microscopy confirmed that the morphology of the perovskite films deposited from N,N-dimethylformamide solutions on TiO2 substrates also strongly depends on the chemical composition of the materials. The Cs2SnX6 perovskites were introduced as hole-transporting materials in dye-sensitized solar cells, based on mesoporous titania electrodes sensitized with various organic and metal-organic dyes. The solar cells based on Cs2SnI6 HTM and the Z907 dye performed best with a maximum power conversion efficiency of 4.23% at 1 sun illumination. The higher performance of Cs2SnI6 is attributed to efficient charge transport in the bulk material and hole extraction at the perovskite-Pt interface, as evidenced by electrochemical impedance spectroscopy.

AB - We report the vibrational and optical properties of the 'defect' perovskites Cs2SnX6 (X = Cl, Br, I) as well as their use as hole-transporting materials (HTMs) in solar cells. All three air-stable compounds were characterized using powder X-ray diffraction and Rietveld refinement. Far-IR reflectance, Raman, and UV-vis spectroscopy as well as electronic band structure calculations show that the compounds are direct band gap semiconductors with a pronounced effect of the halogen atom on the size of the energy gap and the vibrational frequencies. Scanning electron microscopy and atomic force microscopy confirmed that the morphology of the perovskite films deposited from N,N-dimethylformamide solutions on TiO2 substrates also strongly depends on the chemical composition of the materials. The Cs2SnX6 perovskites were introduced as hole-transporting materials in dye-sensitized solar cells, based on mesoporous titania electrodes sensitized with various organic and metal-organic dyes. The solar cells based on Cs2SnI6 HTM and the Z907 dye performed best with a maximum power conversion efficiency of 4.23% at 1 sun illumination. The higher performance of Cs2SnI6 is attributed to efficient charge transport in the bulk material and hole extraction at the perovskite-Pt interface, as evidenced by electrochemical impedance spectroscopy.

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