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| Originele taal-2 | Engels |
|---|---|
| Artikelnummer | 2560 |
| Aantal pagina's | 10 |
| Tijdschrift | Nature Communications |
| Volume | 10 |
| Nummer van het tijdschrift | 1 |
| DOI's | |
| Status | Gepubliceerd - 12 jun 2019 |
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Absolute energy level positions in tin- and lead-based halide perovskites. / Tao, Shuxia (Corresponding author); Schmidt, Ines; Brocks, Geert; Jiang, Junke; Tranca, Ionut; Meerholz, Klaus; Olthof, Selina (Corresponding author).
In: Nature Communications, Vol. 10, Nr. 1, 2560, 12.06.2019.Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review
TY - JOUR
T1 - Absolute energy level positions in tin- and lead-based halide perovskites
AU - Tao, Shuxia
AU - Schmidt, Ines
AU - Brocks, Geert
AU - Jiang, Junke
AU - Tranca, Ionut
AU - Meerholz, Klaus
AU - Olthof, Selina
PY - 2019/6/12
Y1 - 2019/6/12
N2 - Metal halide perovskites are promising materials for future optoelectronic applications. One intriguing property, important for many applications, is the tunability of the band gap via compositional engineering. While experimental reports on changes in absorption or photoluminescence show rather good agreement for different compounds, the physical origins of these changes, namely the variations in valence and conduction band positions, are not well characterized. Here, we determine ionization energy and electron affinity values of all primary tin- and lead-based perovskites using photoelectron spectroscopy data, supported by first-principles calculations and a tight-binding analysis. We demonstrate energy level variations are primarily determined by the relative positions of the atomic energy levels of metal cations and halide anions and secondarily influenced by the cation-anion interaction strength. These results mark a significant step towards understanding the electronic structure of this material class and provides the basis for rational design rules regarding the energetics in perovskite optoelectronics.
AB - Metal halide perovskites are promising materials for future optoelectronic applications. One intriguing property, important for many applications, is the tunability of the band gap via compositional engineering. While experimental reports on changes in absorption or photoluminescence show rather good agreement for different compounds, the physical origins of these changes, namely the variations in valence and conduction band positions, are not well characterized. Here, we determine ionization energy and electron affinity values of all primary tin- and lead-based perovskites using photoelectron spectroscopy data, supported by first-principles calculations and a tight-binding analysis. We demonstrate energy level variations are primarily determined by the relative positions of the atomic energy levels of metal cations and halide anions and secondarily influenced by the cation-anion interaction strength. These results mark a significant step towards understanding the electronic structure of this material class and provides the basis for rational design rules regarding the energetics in perovskite optoelectronics.
UR - http://www.scopus.com/inward/record.url?scp=85067316190&partnerID=8YFLogxK
U2 - 10.1038/s41467-019-10468-7
DO - 10.1038/s41467-019-10468-7
M3 - Article
C2 - 31189871
VL - 10
JO - Nature Communications
JF - Nature Communications
SN - 2041-1723
IS - 1
M1 - 2560
ER -