Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange

J. Jiang, Chidozie Onwudinanti, Ross A. Hatton, P.A. Bobbert, S. Tao

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Abstract

Because of its thermal stability, lead-free composition, and nearly ideal optical and electronic properties, the orthorhombic CsSnI3 perovskite is considered promising as a light absorber for lead-free all-inorganic perovskite solar cells. However, the susceptibility of this three-dimensional perovskite toward oxidation in air has limited the development of solar cells based on this material. Here, we report the findings of a computational study which identifies promising RbyCs1–ySn(BrxI1–x)3 perovskites for solar cell applications, prepared by substituting cations (Rb for Cs) and anions (Br for I) in CsSnI3. We show the evolution of the material electronic structure as well as its thermal and structural stabilities upon gradual substitution. Importantly, we demonstrate how the unwanted yellow phase can be suppressed by substituting Br for I in CsSn(BrxI1–x)3 with x ≥ 1/3. We predict that substitution of Rb for Cs results in a highly homogeneous solid solution and therefore an improved film quality and applicability in solar cell devices.
Original languageEnglish
Pages (from-to)17660-17667
JournalJournal of Physical Chemistry C
Volume122
Issue number31
DOIs
Publication statusPublished - 2018

Fingerprint

Tin
perovskites
halides
tin
Ion exchange
Solar cells
Lead
solar cells
Perovskite
Substitution reactions
ions
thermal stability
substitutes
Electronic properties
Electronic structure
Anions
Cations
Solid solutions
structural stability
Thermodynamic stability

Cite this

Jiang, J. ; Onwudinanti, Chidozie ; Hatton, Ross A. ; Bobbert, P.A. ; Tao, S. / Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange. In: Journal of Physical Chemistry C. 2018 ; Vol. 122, No. 31. pp. 17660-17667.
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abstract = "Because of its thermal stability, lead-free composition, and nearly ideal optical and electronic properties, the orthorhombic CsSnI3 perovskite is considered promising as a light absorber for lead-free all-inorganic perovskite solar cells. However, the susceptibility of this three-dimensional perovskite toward oxidation in air has limited the development of solar cells based on this material. Here, we report the findings of a computational study which identifies promising RbyCs1–ySn(BrxI1–x)3 perovskites for solar cell applications, prepared by substituting cations (Rb for Cs) and anions (Br for I) in CsSnI3. We show the evolution of the material electronic structure as well as its thermal and structural stabilities upon gradual substitution. Importantly, we demonstrate how the unwanted yellow phase can be suppressed by substituting Br for I in CsSn(BrxI1–x)3 with x ≥ 1/3. We predict that substitution of Rb for Cs results in a highly homogeneous solid solution and therefore an improved film quality and applicability in solar cell devices.",
author = "J. Jiang and Chidozie Onwudinanti and Hatton, {Ross A.} and P.A. Bobbert and S. Tao",
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Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange. / Jiang, J.; Onwudinanti, Chidozie; Hatton, Ross A. ; Bobbert, P.A.; Tao, S.

In: Journal of Physical Chemistry C, Vol. 122, No. 31, 2018, p. 17660-17667.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange

AU - Jiang, J.

AU - Onwudinanti, Chidozie

AU - Hatton, Ross A.

AU - Bobbert, P.A.

AU - Tao, S.

PY - 2018

Y1 - 2018

N2 - Because of its thermal stability, lead-free composition, and nearly ideal optical and electronic properties, the orthorhombic CsSnI3 perovskite is considered promising as a light absorber for lead-free all-inorganic perovskite solar cells. However, the susceptibility of this three-dimensional perovskite toward oxidation in air has limited the development of solar cells based on this material. Here, we report the findings of a computational study which identifies promising RbyCs1–ySn(BrxI1–x)3 perovskites for solar cell applications, prepared by substituting cations (Rb for Cs) and anions (Br for I) in CsSnI3. We show the evolution of the material electronic structure as well as its thermal and structural stabilities upon gradual substitution. Importantly, we demonstrate how the unwanted yellow phase can be suppressed by substituting Br for I in CsSn(BrxI1–x)3 with x ≥ 1/3. We predict that substitution of Rb for Cs results in a highly homogeneous solid solution and therefore an improved film quality and applicability in solar cell devices.

AB - Because of its thermal stability, lead-free composition, and nearly ideal optical and electronic properties, the orthorhombic CsSnI3 perovskite is considered promising as a light absorber for lead-free all-inorganic perovskite solar cells. However, the susceptibility of this three-dimensional perovskite toward oxidation in air has limited the development of solar cells based on this material. Here, we report the findings of a computational study which identifies promising RbyCs1–ySn(BrxI1–x)3 perovskites for solar cell applications, prepared by substituting cations (Rb for Cs) and anions (Br for I) in CsSnI3. We show the evolution of the material electronic structure as well as its thermal and structural stabilities upon gradual substitution. Importantly, we demonstrate how the unwanted yellow phase can be suppressed by substituting Br for I in CsSn(BrxI1–x)3 with x ≥ 1/3. We predict that substitution of Rb for Cs results in a highly homogeneous solid solution and therefore an improved film quality and applicability in solar cell devices.

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