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Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles

Zhu, Qiushi LU ; Zheng, Kaibo LU ; Qenawy, Mohamed LU ; Generalov, Alexander LU ; Haase, Dörthe LU ; Carlson, Stefan LU ; Niu, Yuran LU ; Heimdal, Jimmy LU ; Engdahl, Anders LU and Messing, Maria E. LU , et al. (2016) In Physical Chemistry Chemical Physics 18(22). p.14933-14940
Abstract

After having emerged as primary contenders in the race for highly efficient optoelectronics materials, organolead halide perovskites (OHLP) are now being investigated in the nanoscale regime as promising building blocks with unique properties. For example, unlike their bulk counterpart, quantum dots of OHLP are brightly luminescent, owing to large exciton binding energies that cannot be rationalized solely on the basis of quantum confinement. Here, we establish the direct correlation between the structure and the electronic band-edge properties of CH3NH3PbBr3 nanoparticles. Complementary structural and spectroscopic measurements probing long-range and local order reveal that lattice strain influences the... (More)

After having emerged as primary contenders in the race for highly efficient optoelectronics materials, organolead halide perovskites (OHLP) are now being investigated in the nanoscale regime as promising building blocks with unique properties. For example, unlike their bulk counterpart, quantum dots of OHLP are brightly luminescent, owing to large exciton binding energies that cannot be rationalized solely on the basis of quantum confinement. Here, we establish the direct correlation between the structure and the electronic band-edge properties of CH3NH3PbBr3 nanoparticles. Complementary structural and spectroscopic measurements probing long-range and local order reveal that lattice strain influences the nature of the valence band and modifies the subtle stereochemical activity of the Pb2+ lone-pair. More generally, this work demonstrates that the stereochemical activity of the lone-pair at the metal site is a specific physicochemical parameter coupled to composition, size and strain, which can be employed to engineer novel functionalities in OHLP nanomaterials.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
18
issue
22
pages
8 pages
publisher
Royal Society of Chemistry
external identifiers
  • pmid:27189431
  • pmid:27189431
  • wos:000378273500022
  • scopus:84973667590
ISSN
1463-9076
DOI
10.1039/c6cp01843b
language
English
LU publication?
yes
id
78abf79e-ae07-4da4-a42f-5d48cb028a31
date added to LUP
2017-01-02 14:02:58
date last changed
2025-01-12 18:54:13
@article{78abf79e-ae07-4da4-a42f-5d48cb028a31,
  abstract     = {{<p>After having emerged as primary contenders in the race for highly efficient optoelectronics materials, organolead halide perovskites (OHLP) are now being investigated in the nanoscale regime as promising building blocks with unique properties. For example, unlike their bulk counterpart, quantum dots of OHLP are brightly luminescent, owing to large exciton binding energies that cannot be rationalized solely on the basis of quantum confinement. Here, we establish the direct correlation between the structure and the electronic band-edge properties of CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> nanoparticles. Complementary structural and spectroscopic measurements probing long-range and local order reveal that lattice strain influences the nature of the valence band and modifies the subtle stereochemical activity of the Pb<sup>2+</sup> lone-pair. More generally, this work demonstrates that the stereochemical activity of the lone-pair at the metal site is a specific physicochemical parameter coupled to composition, size and strain, which can be employed to engineer novel functionalities in OHLP nanomaterials.</p>}},
  author       = {{Zhu, Qiushi and Zheng, Kaibo and Qenawy, Mohamed and Generalov, Alexander and Haase, Dörthe and Carlson, Stefan and Niu, Yuran and Heimdal, Jimmy and Engdahl, Anders and Messing, Maria E. and Pullerits, Tönu and Canton, Sophie E.}},
  issn         = {{1463-9076}},
  language     = {{eng}},
  number       = {{22}},
  pages        = {{14933--14940}},
  publisher    = {{Royal Society of Chemistry}},
  series       = {{Physical Chemistry Chemical Physics}},
  title        = {{Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles}},
  url          = {{http://dx.doi.org/10.1039/c6cp01843b}},
  doi          = {{10.1039/c6cp01843b}},
  volume       = {{18}},
  year         = {{2016}},
}