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Spatial microhetero...
Spatial microheterogeneity in the valence band of mixed halide hybrid perovskite materials
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- Erbing, Axel, 1991- (författare)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden.
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- Philippe, Bertrand, Dr. 1986- (författare)
- Uppsala universitet,Energimaterialens fysik
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- Park, B. -W (författare)
- Ulsan Natl Inst Sci & Technol, Dept Energy & Chem Engn, 50 UNIST Gil, Ulsan 44919, South Korea.
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- Cappel, Ute B. (författare)
- KTH,Tillämpad fysik,Tillämpad fysikalisk kemi,KTH Royal Inst Technol, Div Appl Phys Chem, Dept Chem, SE-10044 Stockholm, Sweden.
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- Rensmo, Håkan (författare)
- Uppsala universitet,Energimaterialens fysik
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- Odelius, Michael (författare)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden.
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(creator_code:org_t)
- 2022
- 2022
- Engelska.
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Ingår i: Chemical Science. - : Royal Society of Chemistry (RSC). - 2041-6520 .- 2041-6539. ; 13:32, s. 9285-9294
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Abstract
Ämnesord
Stäng
- The valence band of lead halide hybrid perovskites with a mixed I/Br composition is investigated using electronic structure calculations and complementarily probed with hard X-ray photoelectron spectroscopy. In the latter, we used high photon energies giving element sensitivity to the heavy lead and halide ions and we observe distinct trends in the valence band as a function of the I : Br ratio. Through electronic structure calculations, we show that the spectral trends with overall composition can be understood in terms of variations in the local environment of neighboring halide ions. From the computational model supported by the experimental evidence, a picture of the microheterogeneity in the valence band maximum emerges. The microheterogeneity in the valence band suggests that additional charge transport mechanisms might be active in lead mixed halide hybrid perovskites, which could be described in terms of percolation pathways.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Nyckelord
- Electronic structure
- Hybrid materials
- Lead compounds
- Perovskite
- Photons
- Solvents
- X ray photoelectron spectroscopy
- Computational modelling
- Electronic structure calculations
- Experimental evidence
- Halide ions
- Hard X-ray photoelectron spectroscopy
- Lead ions
- Local environments
- Microheterogeneity
- Photon energy
- Valence-band maximums
- Valence bands
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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