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

Qiushi Zhu, Kaibo Zheng, Mohamed Abdellah, Alexander Generalov, Dörthe Haase, Stefan Carlson, Yuran Niu, Jimmy Heimdal, Anders Engdahl, Maria E. Messing, Tonu Pullerits, Sophie E. Canton

Research output: Contribution to journalArticlepeer-review

32 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)14933-14940
Number of pages8
JournalPhysical Chemistry Chemical Physics
Issue number22
Publication statusPublished - 2016
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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