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Electronic structur...
Electronic structure of a vapor-deposited metal-free phthalocyanine thin film
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- Alfredsson, Ylvi (author)
- Uppsala universitet,Fysiska institutionen
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- Brena, Barbara (author)
- KTH,Teoretisk kemi
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- Nilson, Katharina (author)
- Uppsala universitet,Fysiska institutionen
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- Åhlund, John (author)
- Uppsala universitet,Fysiska institutionen
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- Kjeldgaard, L. (author)
- MAX-lab, University of Lund
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- Nyberg, Mats (author)
- KTH,Teoretisk kemi
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- Luo, Yi (author)
- KTH,Teoretisk kemi
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- Mårtensson, Nils (author)
- Uppsala universitet,Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory,Department of Physics, Uppsala University,Fysiska institutionen
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- Sandell, Anders (author)
- Uppsala universitet,Fysiska institutionen
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- Puglia, Carla (author)
- Uppsala universitet,Fysiska institutionen
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- Siegbahn, Hans (author)
- Uppsala universitet,Fysiska institutionen
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(creator_code:org_t)
- AIP Publishing, 2005
- 2005
- English.
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In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 122:21
- Related links:
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http://dx.doi.org/10...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://lup.lub.lu.s...
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https://urn.kb.se/re...
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Abstract
Subject headings
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- The electronic structure of a vapor-sublimated thin film of metal-free phthalocyanine (H2Pc) is studied experimentally and theoretically. An atom-specific picture of the occupied and unoccupied electronic states is obtained using x-ray-absorption spectroscopy (XAS), core- and valence-level x-ray photoelectron spectroscopy (XPS), and density-functional theory (DFT) calculations. The DFT calculations allow for an identification of the contributions from individual nitrogen atoms to the experimental N1s XAS and valence XPS spectra. This comprehensive study of metal-free phthalocyanine is relevant for the application of such molecules in molecular electronics and provides a solid foundation for identifying modifications in the electronic structure induced by various substituent groups.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- ray photoelectron-spectroscopy
- light-emitting devices
- valence-band
- absorption-spectra
- naphthalocyanine
- h-2-phthalocyanine
- porphyrazine
- distinction
- porphyrins
- resolution
- Theoretical chemistry
- Teoretisk kemi
Publication and Content Type
- ref (subject category)
- art (subject category)
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To the university's database
- By the author/editor
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Alfredsson, Ylvi
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Brena, Barbara
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Nilson, Katharin ...
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Åhlund, John
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Kjeldgaard, L.
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Nyberg, Mats
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show more...
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Luo, Yi
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Mårtensson, Nils
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Sandell, Anders
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Puglia, Carla
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Siegbahn, Hans
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Theoretical Chem ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
- Articles in the publication
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Journal of Chemi ...
- By the university
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Royal Institute of Technology
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Lund University
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Uppsala University