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Experimental and Th...
Experimental and Theoretical Core Level and Valence Band Analysis of Clean Perovskite Single Crystal Surfaces
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- Garcia Fernandez, Alberto (author)
- KTH,Tillämpad fysikalisk kemi,KTH Royal Inst Technol, Dept Chem, Div Appl Phys Chem, SE-10044 Stockholm, Sweden.
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- Svanström, Sebastian (author)
- Uppsala universitet,Energimaterialens fysik
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- Sterling, Cody M. (author)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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- Gangan, Abhijeet (author)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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- Erbing, Axel (author)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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- Kamal, Chinnathambi (author)
- Stockholms universitet,Fysikum,Raja Ramanna Centre for Advanced Technology, India; Homi Bhabha National Institute, India,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.;Raja Ramanna Ctr Adv Technol, Theory & Simulat Lab, HRDS, Indore 452013, Madhya Pradesh, India.;Homi Bhabha Natl Inst, Training Sch Complex, Mumbai 400094, Maharashtra, India.
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- Sloboda, Tamara (author)
- KTH,Tillämpad fysikalisk kemi,KTH Royal Inst Technol, Dept Chem, Div Appl Phys Chem, SE-10044 Stockholm, Sweden.
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- Kammlander, Birgit (author)
- KTH,Tillämpad fysikalisk kemi,KTH Royal Inst Technol, Dept Chem, Div Appl Phys Chem, SE-10044 Stockholm, Sweden.
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- Man, Gabriel (author)
- Uppsala universitet,Energimaterialens fysik
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- Rensmo, Håkan (author)
- Uppsala universitet,Energimaterialens fysik
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- Odelius, Michael (author)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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- Cappel, Ute B. (author)
- KTH,Tillämpad fysikalisk kemi,KTH Royal Inst Technol, Dept Chem, Div Appl Phys Chem, SE-10044 Stockholm, Sweden.
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(creator_code:org_t)
- 2022-02-05
- 2022
- English.
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In: Small. - : Wiley. - 1613-6810 .- 1613-6829. ; 18:13
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Abstract
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- A detailed understanding of the surface and interface properties of lead halide perovskites is of interest for several applications, in which these materials may be used. To develop this understanding, the study of clean crystalline surfaces can be an important stepping stone. In this work, the surface properties and electronic structure of two different perovskite single crystal compositions (MAPbI(3) and Cs(x)FA(1-)(x)PbI(3)) are investigated using synchrotron-based soft X-ray photoelectron spectroscopy (PES), molecular dynamics simulations, and density functional theory. The use of synchrotron-based soft X-ray PES enables high surface sensitivity and nondestructive depth-profiling. Core level and valence band spectra of the single crystals are presented. The authors find two carbon 1s contributions at the surface of MAPbI(3) and assign these to MA(+) ions in an MAI-terminated surface and to MA(+) ions below the surface. It is estimated that the surface is predominantly MAI-terminated but up to 30% of the surface can be PbI2-terminated. The results presented here can serve as reference spectra for photoelectron spectroscopy investigations of technologically relevant polycrystalline thin films, and the findings can be utilized to further optimize the design of device interfaces.
Subject headings
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Keyword
- molecular dynamics
- perovskite single crystals
- soft X-ray photoelectron spectroscopy
- synchrotron radiation
- Z+1 calculation
Publication and Content Type
- ref (subject category)
- art (subject category)
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Garcia Fernandez ...
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Svanström, Sebas ...
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Sterling, Cody M ...
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Gangan, Abhijeet
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Erbing, Axel
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Kamal, Chinnatha ...
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Sloboda, Tamara
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Kammlander, Birg ...
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Man, Gabriel
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Rensmo, Håkan
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Odelius, Michael
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Cappel, Ute B.
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NATURAL SCIENCES
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