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Title: Optical-Vibrational Properties of the Cs2 SnX6 (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.

Authors:
 [1];  [1];  [1];  [2];  [1];  [1];  [1];  [1];  [1];  [2];  [1]
  1. National Center for Scientific Research, Athens (Greece). Inst. of Nanoscience and Nanotechnology
  2. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Argonne-Northwestern Solar Energy Research Center (ANSER)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1388195
Grant/Contract Number:  
SC0001059
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 120; Journal Issue: 22; Related Information: ANSER partners with Northwestern University (lead); Argonne National Laboratory; University of Chicago; University of Illinois, Urbana-Champaign; Yale University; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; catalysis (homogeneous); catalysis (heterogeneous); solar (photovoltaic); solar (fuels); photosynthesis (natural and artificial); bio-inspired; hydrogen and fuel cells; electrodes - solar; defects; charge transport; spin dynamics; membrane; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly)

Citation Formats

Kaltzoglou, Andreas, Antoniadou, Maria, Kontos, Athanassios G., Stoumpos, Constantinos C., Perganti, Dorothea, Siranidi, Eirini, Raptis, Vasilios, Trohidou, Kalliopi, Psycharis, Vassilis, Kanatzidis, Mercouri G., and Falaras, Polycarpos. Optical-Vibrational Properties of the Cs2 SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells. United States: N. p., 2016. Web. https://doi.org/10.1021/acs.jpcc.6b02175.
Kaltzoglou, Andreas, Antoniadou, Maria, Kontos, Athanassios G., Stoumpos, Constantinos C., Perganti, Dorothea, Siranidi, Eirini, Raptis, Vasilios, Trohidou, Kalliopi, Psycharis, Vassilis, Kanatzidis, Mercouri G., & Falaras, Polycarpos. Optical-Vibrational Properties of the Cs2 SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells. United States. https://doi.org/10.1021/acs.jpcc.6b02175
Kaltzoglou, Andreas, Antoniadou, Maria, Kontos, Athanassios G., Stoumpos, Constantinos C., Perganti, Dorothea, Siranidi, Eirini, Raptis, Vasilios, Trohidou, Kalliopi, Psycharis, Vassilis, Kanatzidis, Mercouri G., and Falaras, Polycarpos. Thu . "Optical-Vibrational Properties of the Cs2 SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells". United States. https://doi.org/10.1021/acs.jpcc.6b02175. https://www.osti.gov/servlets/purl/1388195.
@article{osti_1388195,
title = {Optical-Vibrational Properties of the Cs2 SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells},
author = {Kaltzoglou, Andreas and Antoniadou, Maria and Kontos, Athanassios G. and Stoumpos, Constantinos C. and Perganti, Dorothea and Siranidi, Eirini and Raptis, Vasilios and Trohidou, Kalliopi and Psycharis, Vassilis and Kanatzidis, Mercouri G. and Falaras, Polycarpos},
abstractNote = {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.},
doi = {10.1021/acs.jpcc.6b02175},
journal = {Journal of Physical Chemistry. C},
number = 22,
volume = 120,
place = {United States},
year = {2016},
month = {5}
}

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