Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis

Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies...
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Autor*in:	Federica Bertolotti [verfasserIn] Nicola Dengo [verfasserIn] Antonio Cervellino [verfasserIn] Maryna I. Bodnarchuk [verfasserIn] Caterina Bernasconi [verfasserIn] Ihor Cherniukh [verfasserIn] Yuliia Berezovska [verfasserIn] Simon C. Boehme [verfasserIn] Maksym V. Kovalenko [verfasserIn] Norberto Masciocchi [verfasserIn] Antonietta Guagliardi [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2024

Schlagwörter:	CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence

Übergeordnetes Werk:	In: Small Structures ; 5(2024), 3, Seite n/a-n/a volume:5 ; year:2024 ; number:3 ; pages:n/a-n/a

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DOI / URN:	10.1002/sstr.202300264

Katalog-ID:	DOAJ095625178

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245	1	0	\|a Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis
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520			\|a Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure.
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allfields	10.1002/sstr.202300264 doi (DE-627)DOAJ095625178 (DE-599)DOAJcaef5b5661854967ae05900e7f733d06 DE-627 ger DE-627 rakwb eng QC1-999 QD1-999 Federica Bertolotti verfasserin aut Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure. CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence Physics Chemistry Nicola Dengo verfasserin aut Antonio Cervellino verfasserin aut Maryna I. Bodnarchuk verfasserin aut Caterina Bernasconi verfasserin aut Ihor Cherniukh verfasserin aut Yuliia Berezovska verfasserin aut Simon C. Boehme verfasserin aut Maksym V. Kovalenko verfasserin aut Norberto Masciocchi verfasserin aut Antonietta Guagliardi verfasserin aut In Small Structures 5(2024), 3, Seite n/a-n/a volume:5 year:2024 number:3 pages:n/a-n/a https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/article/caef5b5661854967ae05900e7f733d06 kostenfrei https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/toc/2688-4062 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ AR 5 2024 3 n/a-n/a
spelling	10.1002/sstr.202300264 doi (DE-627)DOAJ095625178 (DE-599)DOAJcaef5b5661854967ae05900e7f733d06 DE-627 ger DE-627 rakwb eng QC1-999 QD1-999 Federica Bertolotti verfasserin aut Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure. CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence Physics Chemistry Nicola Dengo verfasserin aut Antonio Cervellino verfasserin aut Maryna I. Bodnarchuk verfasserin aut Caterina Bernasconi verfasserin aut Ihor Cherniukh verfasserin aut Yuliia Berezovska verfasserin aut Simon C. Boehme verfasserin aut Maksym V. Kovalenko verfasserin aut Norberto Masciocchi verfasserin aut Antonietta Guagliardi verfasserin aut In Small Structures 5(2024), 3, Seite n/a-n/a volume:5 year:2024 number:3 pages:n/a-n/a https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/article/caef5b5661854967ae05900e7f733d06 kostenfrei https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/toc/2688-4062 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ AR 5 2024 3 n/a-n/a
allfields_unstemmed	10.1002/sstr.202300264 doi (DE-627)DOAJ095625178 (DE-599)DOAJcaef5b5661854967ae05900e7f733d06 DE-627 ger DE-627 rakwb eng QC1-999 QD1-999 Federica Bertolotti verfasserin aut Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure. CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence Physics Chemistry Nicola Dengo verfasserin aut Antonio Cervellino verfasserin aut Maryna I. Bodnarchuk verfasserin aut Caterina Bernasconi verfasserin aut Ihor Cherniukh verfasserin aut Yuliia Berezovska verfasserin aut Simon C. Boehme verfasserin aut Maksym V. Kovalenko verfasserin aut Norberto Masciocchi verfasserin aut Antonietta Guagliardi verfasserin aut In Small Structures 5(2024), 3, Seite n/a-n/a volume:5 year:2024 number:3 pages:n/a-n/a https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/article/caef5b5661854967ae05900e7f733d06 kostenfrei https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/toc/2688-4062 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ AR 5 2024 3 n/a-n/a
allfieldsGer	10.1002/sstr.202300264 doi (DE-627)DOAJ095625178 (DE-599)DOAJcaef5b5661854967ae05900e7f733d06 DE-627 ger DE-627 rakwb eng QC1-999 QD1-999 Federica Bertolotti verfasserin aut Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure. CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence Physics Chemistry Nicola Dengo verfasserin aut Antonio Cervellino verfasserin aut Maryna I. Bodnarchuk verfasserin aut Caterina Bernasconi verfasserin aut Ihor Cherniukh verfasserin aut Yuliia Berezovska verfasserin aut Simon C. Boehme verfasserin aut Maksym V. Kovalenko verfasserin aut Norberto Masciocchi verfasserin aut Antonietta Guagliardi verfasserin aut In Small Structures 5(2024), 3, Seite n/a-n/a volume:5 year:2024 number:3 pages:n/a-n/a https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/article/caef5b5661854967ae05900e7f733d06 kostenfrei https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/toc/2688-4062 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ AR 5 2024 3 n/a-n/a
allfieldsSound	10.1002/sstr.202300264 doi (DE-627)DOAJ095625178 (DE-599)DOAJcaef5b5661854967ae05900e7f733d06 DE-627 ger DE-627 rakwb eng QC1-999 QD1-999 Federica Bertolotti verfasserin aut Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure. CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence Physics Chemistry Nicola Dengo verfasserin aut Antonio Cervellino verfasserin aut Maryna I. Bodnarchuk verfasserin aut Caterina Bernasconi verfasserin aut Ihor Cherniukh verfasserin aut Yuliia Berezovska verfasserin aut Simon C. Boehme verfasserin aut Maksym V. Kovalenko verfasserin aut Norberto Masciocchi verfasserin aut Antonietta Guagliardi verfasserin aut In Small Structures 5(2024), 3, Seite n/a-n/a volume:5 year:2024 number:3 pages:n/a-n/a https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/article/caef5b5661854967ae05900e7f733d06 kostenfrei https://doi.org/10.1002/sstr.202300264 kostenfrei https://doaj.org/toc/2688-4062 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ AR 5 2024 3 n/a-n/a
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topic_facet	CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence Physics Chemistry
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authorswithroles_txt_mv	Federica Bertolotti @@aut@@ Nicola Dengo @@aut@@ Antonio Cervellino @@aut@@ Maryna I. Bodnarchuk @@aut@@ Caterina Bernasconi @@aut@@ Ihor Cherniukh @@aut@@ Yuliia Berezovska @@aut@@ Simon C. Boehme @@aut@@ Maksym V. Kovalenko @@aut@@ Norberto Masciocchi @@aut@@ Antonietta Guagliardi @@aut@@
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callnumber-first	Q - Science
author	Federica Bertolotti
spellingShingle	Federica Bertolotti misc QC1-999 misc QD1-999 misc CsPbBr3 quantum dots misc lattice anisotropy misc size dependence misc static disorder misc structural distortions misc temperature dependence misc Physics misc Chemistry Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis
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topic_title	QC1-999 QD1-999 Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis CsPbBr3 quantum dots lattice anisotropy size dependence static disorder structural distortions temperature dependence
topic	misc QC1-999 misc QD1-999 misc CsPbBr3 quantum dots misc lattice anisotropy misc size dependence misc static disorder misc structural distortions misc temperature dependence misc Physics misc Chemistry
topic_unstemmed	misc QC1-999 misc QD1-999 misc CsPbBr3 quantum dots misc lattice anisotropy misc size dependence misc static disorder misc structural distortions misc temperature dependence misc Physics misc Chemistry
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title	Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis
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title_full	Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis
author_sort	Federica Bertolotti
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author_browse	Federica Bertolotti Nicola Dengo Antonio Cervellino Maryna I. Bodnarchuk Caterina Bernasconi Ihor Cherniukh Yuliia Berezovska Simon C. Boehme Maksym V. Kovalenko Norberto Masciocchi Antonietta Guagliardi
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title_sort	size‐ and temperature‐dependent lattice anisotropy and structural distortion in cspbbr3 quantum dots by reciprocal space x‐ray total scattering analysis
callnumber	QC1-999
title_auth	Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis
abstract	Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure.
abstractGer	Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure.
abstract_unstemmed	Lead halide perovskite nanocrystals (NCs) have emerged as next‐generation semiconductors capable of unifying superior photoemission properties, facile and inexpensive preparation, compositional and structural versatility. Among them, CsPbBr3 is a model system in theoretical and experimental studies owing to its intrinsic chemical stability. Nonetheless, knowledge of the precise magnitude and the size‐ and temperature‐dependent lattice and structural distortions is lacking, and the static/dynamic nature of disorder in NCs remains an open question. Herein, robust reciprocal space X‐ray total scattering analysis is applied and accurate lattice distortions, PbBr bond distances, and PbBrPb angles versus NCs size are extracted. The lattice anisotropy increases upon expansion on downsizing while, upon contraction on cooling, the lattice distortion behaves differently at intermediate (9 nm) and ultrasmall (5 nm) sizes and from the bulk. Bond distances (stretched by ≈1%) do not show any size dependence, whereas equatorial and axial angles denote more symmetric octahedral arrangements in the smallest sizes, where they differ by ≈2° compared to ≈8° in the bulk. Anomalously high atomic displacement parameters of axial bromine ions persisting down to cryogenic temperatures suggest statically disordered octahedral tilts. These results provide insights having important implications on size‐dependent emission properties and the exciton fine structure.
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title_short	Size‐ and Temperature‐Dependent Lattice Anisotropy and Structural Distortion in CsPbBr3 Quantum Dots by Reciprocal Space X‐ray Total Scattering Analysis
url	https://doi.org/10.1002/sstr.202300264 https://doaj.org/article/caef5b5661854967ae05900e7f733d06 https://doaj.org/toc/2688-4062
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up_date	2024-07-03T15:39:36.331Z
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