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Electron-impact ionization cross sections of small molecules containing Fe and Cr ∗ .

José RomeroPaulo Limão-VieiraMichael Probst
Published in: Journal of physics. Condensed matter : an Institute of Physics journal (2022)
We present the electron-impact ionization cross sections (EICSs) of iron and chromium hydrides, nitrides, and oxides. The motivation of this work stems from the fact that chemical sputtering from a steel surface exposed to a hot plasma can create these molecules which in turn influence the composition and energy balance of the plasma. The latter influence is quantified by the EICS which we derive by using two semi-empirical methods which can be employed in the relevant energy range of 10-1000 eV. They are important molecular properties for plasma- and materials science. We discuss the foundations of the methods and present the cross sections of the high- and low-spin states of the species in their neutral ground states and of their cations.
Keyphrases
  • public health
  • single molecule
  • gas chromatography
  • ionic liquid
  • room temperature
  • sensitive detection
  • mass spectrometry
  • density functional theory
  • high resolution
  • quantum dots