Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics

Kenneth P. Marshall, Shuxia Tao, Marc Walker, Daniel S. Cook, James Lloyd-Hughes, Silvia Varagnolo, Anjana Wijesekara, David Walker, Richard I. Walton, Ross A. Hatton

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Abstract

We show that films of the 3-dimensional perovskite Cs 1-x Rb x SnI 3 can be prepared from room temperature N,N-dimethylformamide solutions of RbI, CsI and SnCl 2 for x ≤ 0.5, and that for x ≤ 0.2 film stability is sufficient for utility as the light harvesting layer in inverted photovoltaic (PV) devices. Electronic absorption and photoluminescence spectroscopy measurements supported by computational simulation, show that increasing x increases the band gap, due to distortion of the lattice of SnI 6 octahedra that occurs when Cs is substituted with Rb, although it also reduces the stability towards decomposition. When Cs 0.8 Rb 0.2 SnI 3 perovskite is incorporated into the model inverted PV device structure; ITOperovskiteC 60 bathocuproineAl, an ∼120 mV increase in open-circuit is achieved which is shown to correlate with an increase in perovskite ionisation potential. However, for this low Rb loading the increase in band gap is very small (∼30 meV) and so a significant increase in open circuit-voltage is achieved without reducing the range of wavelengths over which the perovskite can harvest light. The experimental findings presented are shown to agree well with the predictions of density functional theory (DFT) simulations of the stability and electronic structure, also performed as part of this study.

Original languageEnglish
Pages (from-to)1515-1522
Number of pages8
JournalMaterials Chemistry Frontiers
Volume2
Issue number8
DOIs
Publication statusPublished - 1 Aug 2018

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Perovskite
Semiconductor materials
Energy gap
Dimethylformamide
Photoluminescence spectroscopy
Ionization potential
Open circuit voltage
Absorption spectroscopy
Electronic structure
Density functional theory
Decomposition
Wavelength
perovskite
Networks (circuits)
Temperature

Cite this

Marshall, K. P., Tao, S., Walker, M., Cook, D. S., Lloyd-Hughes, J., Varagnolo, S., ... Hatton, R. A. (2018). Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics. Materials Chemistry Frontiers, 2(8), 1515-1522. https://doi.org/10.1039/C8QM00159F
Marshall, Kenneth P. ; Tao, Shuxia ; Walker, Marc ; Cook, Daniel S. ; Lloyd-Hughes, James ; Varagnolo, Silvia ; Wijesekara, Anjana ; Walker, David ; Walton, Richard I. ; Hatton, Ross A. / Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics. In: Materials Chemistry Frontiers. 2018 ; Vol. 2, No. 8. pp. 1515-1522.
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abstract = "We show that films of the 3-dimensional perovskite Cs 1-x Rb x SnI 3 can be prepared from room temperature N,N-dimethylformamide solutions of RbI, CsI and SnCl 2 for x ≤ 0.5, and that for x ≤ 0.2 film stability is sufficient for utility as the light harvesting layer in inverted photovoltaic (PV) devices. Electronic absorption and photoluminescence spectroscopy measurements supported by computational simulation, show that increasing x increases the band gap, due to distortion of the lattice of SnI 6 octahedra that occurs when Cs is substituted with Rb, although it also reduces the stability towards decomposition. When Cs 0.8 Rb 0.2 SnI 3 perovskite is incorporated into the model inverted PV device structure; ITOperovskiteC 60 bathocuproineAl, an ∼120 mV increase in open-circuit is achieved which is shown to correlate with an increase in perovskite ionisation potential. However, for this low Rb loading the increase in band gap is very small (∼30 meV) and so a significant increase in open circuit-voltage is achieved without reducing the range of wavelengths over which the perovskite can harvest light. The experimental findings presented are shown to agree well with the predictions of density functional theory (DFT) simulations of the stability and electronic structure, also performed as part of this study.",
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Marshall, KP, Tao, S, Walker, M, Cook, DS, Lloyd-Hughes, J, Varagnolo, S, Wijesekara, A, Walker, D, Walton, RI & Hatton, RA 2018, 'Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics', Materials Chemistry Frontiers, vol. 2, no. 8, pp. 1515-1522. https://doi.org/10.1039/C8QM00159F

Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics. / Marshall, Kenneth P.; Tao, Shuxia; Walker, Marc; Cook, Daniel S.; Lloyd-Hughes, James; Varagnolo, Silvia; Wijesekara, Anjana; Walker, David; Walton, Richard I.; Hatton, Ross A.

In: Materials Chemistry Frontiers, Vol. 2, No. 8, 01.08.2018, p. 1515-1522.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics

AU - Marshall, Kenneth P.

AU - Tao, Shuxia

AU - Walker, Marc

AU - Cook, Daniel S.

AU - Lloyd-Hughes, James

AU - Varagnolo, Silvia

AU - Wijesekara, Anjana

AU - Walker, David

AU - Walton, Richard I.

AU - Hatton, Ross A.

PY - 2018/8/1

Y1 - 2018/8/1

N2 - We show that films of the 3-dimensional perovskite Cs 1-x Rb x SnI 3 can be prepared from room temperature N,N-dimethylformamide solutions of RbI, CsI and SnCl 2 for x ≤ 0.5, and that for x ≤ 0.2 film stability is sufficient for utility as the light harvesting layer in inverted photovoltaic (PV) devices. Electronic absorption and photoluminescence spectroscopy measurements supported by computational simulation, show that increasing x increases the band gap, due to distortion of the lattice of SnI 6 octahedra that occurs when Cs is substituted with Rb, although it also reduces the stability towards decomposition. When Cs 0.8 Rb 0.2 SnI 3 perovskite is incorporated into the model inverted PV device structure; ITOperovskiteC 60 bathocuproineAl, an ∼120 mV increase in open-circuit is achieved which is shown to correlate with an increase in perovskite ionisation potential. However, for this low Rb loading the increase in band gap is very small (∼30 meV) and so a significant increase in open circuit-voltage is achieved without reducing the range of wavelengths over which the perovskite can harvest light. The experimental findings presented are shown to agree well with the predictions of density functional theory (DFT) simulations of the stability and electronic structure, also performed as part of this study.

AB - We show that films of the 3-dimensional perovskite Cs 1-x Rb x SnI 3 can be prepared from room temperature N,N-dimethylformamide solutions of RbI, CsI and SnCl 2 for x ≤ 0.5, and that for x ≤ 0.2 film stability is sufficient for utility as the light harvesting layer in inverted photovoltaic (PV) devices. Electronic absorption and photoluminescence spectroscopy measurements supported by computational simulation, show that increasing x increases the band gap, due to distortion of the lattice of SnI 6 octahedra that occurs when Cs is substituted with Rb, although it also reduces the stability towards decomposition. When Cs 0.8 Rb 0.2 SnI 3 perovskite is incorporated into the model inverted PV device structure; ITOperovskiteC 60 bathocuproineAl, an ∼120 mV increase in open-circuit is achieved which is shown to correlate with an increase in perovskite ionisation potential. However, for this low Rb loading the increase in band gap is very small (∼30 meV) and so a significant increase in open circuit-voltage is achieved without reducing the range of wavelengths over which the perovskite can harvest light. The experimental findings presented are shown to agree well with the predictions of density functional theory (DFT) simulations of the stability and electronic structure, also performed as part of this study.

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U2 - 10.1039/C8QM00159F

DO - 10.1039/C8QM00159F

M3 - Article

VL - 2

SP - 1515

EP - 1522

JO - Materials Chemistry Frontiers

JF - Materials Chemistry Frontiers

SN - 2052-1537

IS - 8

ER -