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Electronic structure of carbon nitride thin films studied by X-ray spectroscopy techniques
Linköpings Universitet.
Lawrence Berkeley National Laboratory.
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).ORCID iD: 0000-0003-0007-0394
Uppsala Universitet.
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2005 (English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 471, no 02-jan, 19-34 p.Article in journal (Refereed) Published
Abstract [en]

Magnetron-sputtered carbon nitride thin films with different structures and compositions were analyzed by X-ray and ultraviolet photoelectron spectroscopy (XPS and UPS), near-edge X-ray absorption fine structure spectroscopy (NEXAFS), as well as X-ray emission spectroscopy (XES). In all techniques, the carbon spectra are broad and featureless with little variation depending on growth conditions. The nitrogen spectra, on the other hand, show more distinct features, providing a powerful tool for structural characterization. By comparing the experimental spectra with calculations on different model systems, we are able to identify three major bonding structures of the nitrogen-N1: nitrile (C equivalent to N) bonds; N2: Pyridine-like N, i.e., N bonded to two C atoms; and N3: graphite-like N, i.e., N bonded to three C atoms as if substituted in a graphitic network, however, possibly positioned in a pentagon and/or with sp(3) carbon neighbors. The presence of N2 and N3 are best detected by XPS, while N1 is better detected by NEXAFS. The calculated XES spectra also give good indications how valence band spectra should be interpreted. Films grown at the higher temperatures ( greater than or equal to 350 degreesC) show a pronounced angular dependence of the incoming photon beam in NEXATS measurements, which suggests a textured microstructure with standing graphitic basal planes, while amorphous films grown at low temperatures show isotropic properties.

Place, publisher, year, edition, pages
2005. Vol. 471, no 02-jan, 19-34 p.
Keyword [en]
X-ray spectroscopy, carbon nitride, thin film, absorption fine-structure, near-edge, high-resolution, photoelectron-spectroscopy, hardening mechanisms, thermal-stability, bonding structure, binding-energies, cnx films, spectra
National Category
Theoretical Chemistry
URN: urn:nbn:se:kth:diva-14430DOI: 10.1016/j.tsf.2004.03.027ISI: 000225724500003ScopusID: 2-s2.0-10644238092OAI: diva2:332471

QC 20100525

Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2013-02-25Bibliographically approved
In thesis
1. Theoretical modeling of X-ray spectroscopy of liquids
Open this publication in new window or tab >>Theoretical modeling of X-ray spectroscopy of liquids
2005 (English)Doctoral thesis, comprehensive summary (Other scientific)
Place, publisher, year, edition, pages
Stockholm: KTH, 2005. viii, 47 p.
Theoretical chemistry, Teoretisk kemi
National Category
Theoretical Chemistry
urn:nbn:se:kth:diva-187 (URN)91-7178-021-1 (ISBN)
Public defence
2005-05-13, FA32, AlbaNova, 13:00
QC 20101101Available from: 2005-05-10 Created: 2005-05-10 Last updated: 2011-11-23Bibliographically approved

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Luo, YiKashtanov, StepanÅgren, Hans
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