SOFT X-RAY ABSORPTION SPECTRA IN THE 0 K REGION OF MICROPOROUS CARBON AND SOME REFERENCE AROMATIC COMPOUNDS

Yasuji Muramatsu, Kentaro Kuramoto, Eric M. Gullikson and Rupert C. C. Perera
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Yasuji Muramatsu: Japan Atomic Energy Research Institute, 1-1-1 Kouto, Mikazuki-cho, Sayo-gun, Hyogo 679-5148, Japan
Kentaro Kuramoto: Faculty of Science, Himeji Institute of Technology, 3-2-1 Kouto, Kamigori-cho, Ako-gun, Hyogo 678-1297, Japan
Eric M. Gullikson: Center for X-Ray Optics, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA
Rupert C. C. Perera: Center for X-Ray Optics, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA

Surface Review and Letters (SRL), 2002, vol. 09, issue 01, 267-270

Abstract: To analyze the oxidation states of the graphitic surface of microporous carbon, soft X-ray absorption spectra in the 0 K region have been obtained for microporous carbon and various aromatic compounds. The aromatic molecules studied are substituted with one or more of the following oxygenated functional groups: hydroxy (–OH), carboxy (–COOH), carbonyl (>C=O), formyl (–CH=O), and ether (–O–). From comparison of the soft X-ray absorption spectra of microporous carbon and of reference aromatic compounds, the most probable chemical bonding states of oxygen in microporous carbon are found to be –COOH and >C(H)=O. Spectral features in the soft X-ray absorption spectra of microporous carbon are well explained by the O2p density of states in these oxygenated functional groups from discrete variational (DV)-Xα molecular orbital calculations.

Date: 2002
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DOI: 10.1142/S0218625X02002178

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