Dmitry Baranov
Associate senior lecturer
Fast Intrinsic Emission Quenching in Cs4PbBr6 Nanocrystals
Author
Summary, in English
Cs4PbBr6 (0D) nanocrystals at room temperature
have both been reported as nonemissive and green-emissive systems in
conflicting reports, with no consensus regarding both the origin of the
green emission and the emission quenching mechanism. Here, via ab initio
molecular dynamics (AIMD) simulations and temperature-dependent
photoluminescence (PL) spectroscopy, we show that the PL in these 0D
metal halides is thermally quenched well below 300 K via strong
electron–phonon coupling. To unravel the source of green emission
reported for bulk 0D systems, we further study two previously suggested
candidate green emitters: (i) a Br vacancy, which we demonstrate to
present a strong thermal emission quenching at room temperature; (ii) an
impurity, based on octahedral connectivity, that succeeds in
suppressing nonradiative quenching via a reduced electron–phonon
coupling in the corner-shared lead bromide octahedral network. These
findings contribute to unveiling the mechanism behind the
temperature-dependent PL in lead halide materials of different
dimensionality.
have both been reported as nonemissive and green-emissive systems in
conflicting reports, with no consensus regarding both the origin of the
green emission and the emission quenching mechanism. Here, via ab initio
molecular dynamics (AIMD) simulations and temperature-dependent
photoluminescence (PL) spectroscopy, we show that the PL in these 0D
metal halides is thermally quenched well below 300 K via strong
electron–phonon coupling. To unravel the source of green emission
reported for bulk 0D systems, we further study two previously suggested
candidate green emitters: (i) a Br vacancy, which we demonstrate to
present a strong thermal emission quenching at room temperature; (ii) an
impurity, based on octahedral connectivity, that succeeds in
suppressing nonradiative quenching via a reduced electron–phonon
coupling in the corner-shared lead bromide octahedral network. These
findings contribute to unveiling the mechanism behind the
temperature-dependent PL in lead halide materials of different
dimensionality.
Publishing year
2021-10-27
Language
English
Pages
8619-8626
Publication/Series
Nano Letters
Volume
21
Issue
20
Document type
Journal article
Publisher
The American Chemical Society (ACS)
Keywords
- Density Functional Theory
- Green Emission
- Molecular Dynamics
- Nonradiative Quenching
Status
Published
ISBN/ISSN/Other
- ISSN: 1530-6984