Adsorption and decomposition of methane on gallium oxide films

D. Kohl, Th Ochs, W. Geyer, M. Fleischer, H. Meixner

Research output: Conference article

23 Citations (Scopus)

Abstract

Surface reactions are investigated by a sensitive mass spectrometer. Ga2O3 films are exposed to square pulses of methane. From the experimental data the desorption energies and the frequency factors are calculated for H2O and CO2. Semiempirical Hartree-Fock calculations with the Modified Neglect of Diatomic Overlap - Parametric Method 3 (MNDO-PM3) method give information about the adsorption process. The energy gain of physisorption amounts to 0.27 eV. The Heat of Formation (HoF) of the chemisorbed CH3 group and the H atom is 4.05 eV lower in comparison to the value of the physisorbed methane. After the COlatt. group formation the energy gain is 7.33 eV. The binding energy of the formed COlatt. is calculated to 2.07 eV. The charge transfer is estimated using the Mulliken charges. A reaction scheme for the catalytic oxidation of methane by lattice oxygen is proposed.

Original languageEnglish
Pages (from-to)140-145
Number of pages6
JournalSensors and Actuators, B: Chemical
Volume59
Issue number2
DOIs
Publication statusPublished - okt. 19 1999
EventProceedings of the POLCAP '98 Conference on Pollution Sensors - Grenoble, France
Duration: dec. 7 1998 → …

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Instrumentation
  • Condensed Matter Physics
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Electrical and Electronic Engineering
  • Materials Chemistry

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