Role of hydrogen atoms in the photoinduced formation of stable electron centers in H-doped 12CaO7Al2O3

Peter V. Sushko, Alexander L. Shluger, Katsuro Hayashi, Masahiro Hirano, and Hideo Hosono
Phys. Rev. B 73, 045120 – Published 24 January 2006

Abstract

In this work we investigate a variety of chemical and photoinduced processes in which different hydrogenous species including H2 molecules, H ions, and H0 atoms interact with the bulk of a complex nanoporous oxide 12CaO7Al2O3. Our results provide a detailed and consistent explanation of the recently observed phenomenon of photoinduced conversion of the insulating H-doped 12CaO7Al2O3 to a conductor [K. Hayashi et al., Nature (London) 419, 462 (2002)]. The formation of a large and thermally stable concentration of electron centers in this process is facilitated by a large concentration (up to 1020cm3) of extraframework O2 naturally present in this material and homogeneously distributed in its bulk. We show that these species are able to split H2 molecules into pairs of H+ and H ions and convert H0 atoms into H+ and e promoting the photoinduced conversion process. The similarity of the mechanisms described in this work to those known for low-coordinated sites at MgO surfaces indicates that the formation of electronic centers in oxides interacting with hydrogenous species could be a generic feature.

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  • Received 3 June 2005

DOI:https://doi.org/10.1103/PhysRevB.73.045120

©2006 American Physical Society

Authors & Affiliations

Peter V. Sushko* and Alexander L. Shluger

  • Department of Physics & Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom

Katsuro Hayashi

  • Frontier Collaborative Research Center, P.O. Box S2-13, Tokyo Institute of Technology, 4259 Nagasuta, Midori-ku, Yokohama 226-8503, Japan

Masahiro Hirano

  • SORST, Japan Science and Technology Agency, P.O. Box S2-13, Tokyo Institute of Technology, 4259 Nagasuta, Midori-ku, Yokohama 226-8503, Japan

Hideo Hosono

  • Frontier Collaborative Research Center and Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagasuta, Midori-ku, Yokohama 226-8503, Japan

  • *Corresponding author. Email address: p.sushko@ucl.ac.uk

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Issue

Vol. 73, Iss. 4 — 15 January 2006

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