Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals

Federica Bertolotti; Loredana Protesescu; Maksym V. Kovalenko; Sergii Yakunin; Antonio Cervellino; Simon J L Billinge; Maxwell W. Terban; Jan Skov Pedersen; Norberto Masciocchi; Antonietta Guagliardi

doi:10.1021/acsnano.7b00017

Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals

Federica Bertolotti
, Loredana Protesescu
, Maksym V. Kovalenko
, Sergii Yakunin
, Antonio Cervellino
, Simon J L Billinge
, Maxwell W. Terban
, Jan Skov Pedersen
, Norberto Masciocchi
, Antonietta Guagliardi^*

^*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

281 Citations (Scopus)

Abstract

Crystal defects in highy luminescent colloidal nanocrystals (NCs) of CsPbX ₃ perovskites (X = Cl, Br, I) are investigated. Here, using X-ray total scattering techniques and the Debye scattering equation (DSE), we provide evidence that the local structure of these NCs always exhibits orthorhombic tilting of PbX ₆ octahedra within locally ordered subdomains. These subdomains are hinged through a two-/three-dimensional (2D/3D) network of twin boundaries through which the coherent arrangement of the Pb ions throughout the whole NC is preserved. The density of these twin boundaries determines the size of the subdomains and results in an apparent higher-symmetry structure on average in the high-temperature modification. Dynamic cooperative rotations of PbX ₆ octahedra are likely at work at the twin boundaries, causing the rearrangement of the 2D or 3D network, particularly effective in the pseudocubic phases. An orthorhombic, 3D γ-phase, isostructural to that of CsPbBr ₃ is found here in as-synthesized CsPbI ₃ NCs.

Original language	English
Journal	A C S Nano
Volume	11
Issue	4
Pages (from-to)	3819-3831
Number of pages	13
ISSN	1936-0851
DOIs	https://doi.org/10.1021/acsnano.7b00017
Publication status	Published - 25 Apr 2017

Keywords

lead halide perovskites
colloidal nanocrystals
nanotwins
Debye scattering equation
pair distribution function
LIGHT-EMITTING-DIODES
ORGANIC-INORGANIC PEROVSKITES
ANION-EXCHANGE REACTIONS
SOLAR-CELLS
QUANTUM DOTS
PHASE-TRANSITIONS
CSPBBR3 PEROVSKITE
OPTICAL-PROPERTIES
HYBRID PEROVSKITE
IODIDE PEROVSKITE

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title = "Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals",

abstract = "Crystal defects in highy luminescent colloidal nanocrystals (NCs) of CsPbX 3 perovskites (X = Cl, Br, I) are investigated. Here, using X-ray total scattering techniques and the Debye scattering equation (DSE), we provide evidence that the local structure of these NCs always exhibits orthorhombic tilting of PbX 6 octahedra within locally ordered subdomains. These subdomains are hinged through a two-/three-dimensional (2D/3D) network of twin boundaries through which the coherent arrangement of the Pb ions throughout the whole NC is preserved. The density of these twin boundaries determines the size of the subdomains and results in an apparent higher-symmetry structure on average in the high-temperature modification. Dynamic cooperative rotations of PbX 6 octahedra are likely at work at the twin boundaries, causing the rearrangement of the 2D or 3D network, particularly effective in the pseudocubic phases. An orthorhombic, 3D γ-phase, isostructural to that of CsPbBr 3 is found here in as-synthesized CsPbI 3 NCs.",

keywords = "lead halide perovskites, colloidal nanocrystals, nanotwins, Debye scattering equation, pair distribution function, LIGHT-EMITTING-DIODES, ORGANIC-INORGANIC PEROVSKITES, ANION-EXCHANGE REACTIONS, SOLAR-CELLS, QUANTUM DOTS, PHASE-TRANSITIONS, CSPBBR3 PEROVSKITE, OPTICAL-PROPERTIES, HYBRID PEROVSKITE, IODIDE PEROVSKITE",

author = "Federica Bertolotti and Loredana Protesescu and Kovalenko, \{Maksym V.\} and Sergii Yakunin and Antonio Cervellino and Billinge, \{Simon J L\} and Terban, \{Maxwell W.\} and Pedersen, \{Jan Skov\} and Norberto Masciocchi and Antonietta Guagliardi",

year = "2017",

month = apr,

day = "25",

doi = "10.1021/acsnano.7b00017",

language = "English",

volume = "11",

pages = "3819--3831",

journal = "A C S Nano",

issn = "1936-0851",

publisher = "American Chemical Society",

number = "4",

}

TY - JOUR

T1 - Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals

AU - Bertolotti, Federica

AU - Protesescu, Loredana

AU - Kovalenko, Maksym V.

AU - Yakunin, Sergii

AU - Cervellino, Antonio

AU - Billinge, Simon J L

AU - Terban, Maxwell W.

AU - Pedersen, Jan Skov

AU - Masciocchi, Norberto

AU - Guagliardi, Antonietta

PY - 2017/4/25

Y1 - 2017/4/25

N2 - Crystal defects in highy luminescent colloidal nanocrystals (NCs) of CsPbX 3 perovskites (X = Cl, Br, I) are investigated. Here, using X-ray total scattering techniques and the Debye scattering equation (DSE), we provide evidence that the local structure of these NCs always exhibits orthorhombic tilting of PbX 6 octahedra within locally ordered subdomains. These subdomains are hinged through a two-/three-dimensional (2D/3D) network of twin boundaries through which the coherent arrangement of the Pb ions throughout the whole NC is preserved. The density of these twin boundaries determines the size of the subdomains and results in an apparent higher-symmetry structure on average in the high-temperature modification. Dynamic cooperative rotations of PbX 6 octahedra are likely at work at the twin boundaries, causing the rearrangement of the 2D or 3D network, particularly effective in the pseudocubic phases. An orthorhombic, 3D γ-phase, isostructural to that of CsPbBr 3 is found here in as-synthesized CsPbI 3 NCs.

AB - Crystal defects in highy luminescent colloidal nanocrystals (NCs) of CsPbX 3 perovskites (X = Cl, Br, I) are investigated. Here, using X-ray total scattering techniques and the Debye scattering equation (DSE), we provide evidence that the local structure of these NCs always exhibits orthorhombic tilting of PbX 6 octahedra within locally ordered subdomains. These subdomains are hinged through a two-/three-dimensional (2D/3D) network of twin boundaries through which the coherent arrangement of the Pb ions throughout the whole NC is preserved. The density of these twin boundaries determines the size of the subdomains and results in an apparent higher-symmetry structure on average in the high-temperature modification. Dynamic cooperative rotations of PbX 6 octahedra are likely at work at the twin boundaries, causing the rearrangement of the 2D or 3D network, particularly effective in the pseudocubic phases. An orthorhombic, 3D γ-phase, isostructural to that of CsPbBr 3 is found here in as-synthesized CsPbI 3 NCs.

KW - lead halide perovskites

KW - colloidal nanocrystals

KW - nanotwins

KW - Debye scattering equation

KW - pair distribution function

KW - LIGHT-EMITTING-DIODES

KW - ORGANIC-INORGANIC PEROVSKITES

KW - ANION-EXCHANGE REACTIONS

KW - SOLAR-CELLS

KW - QUANTUM DOTS

KW - PHASE-TRANSITIONS

KW - CSPBBR3 PEROVSKITE

KW - OPTICAL-PROPERTIES

KW - HYBRID PEROVSKITE

KW - IODIDE PEROVSKITE

UR - https://www.scopus.com/pages/publications/85018643025

U2 - 10.1021/acsnano.7b00017

DO - 10.1021/acsnano.7b00017

M3 - Journal article

C2 - 28394579

SN - 1936-0851

VL - 11

SP - 3819

EP - 3831

JO - A C S Nano

JF - A C S Nano

IS - 4

ER -

Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals

Abstract

Keywords

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