JOURNAL ARTICLE

Extension of ion-neutral reactive collision model DNT+ to polar molecules based on average dipole orientation theory.

  • Published In: Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films, 2024, v. 42, n. 5. P. 1 1 of 3

  • Database: Applied Science & Technology Source Ultimate 2 of 3

  • Authored By: Denpoh, Kazuki; Kato, Taiki; Matsukuma, Masaaki 3 of 3

Abstract

This article focuses on the extension of the ion-neutral reactive collision model DNT+ to polar molecules by incorporating the average dipole orientation (ADO) theory, resulting in the modified model named DNT+DM. DNT+DM generates comprehensive ion-neutral collision cross section (CS) data sets for atoms, polar, and nonpolar molecules, including long-range elastic and charge-exchange collisions. The model was validated through applications to gas-phase H₂O⁺–H₂O and low-energy CF₃⁺–CO collisions, showing good agreement with existing experimental data, particularly for long-range charge exchange and ion production cross sections. The study highlights the significance of including the dipole moment term for accurately treating polar molecules and suggests that further refinement through ion swarm analyses and experimental measurements would enhance the accuracy of the predicted cross sections.

Additional Information

  • Source:Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films. 2024/09, Vol. 42, Issue 5, p1
  • Document Type:Article
  • Subject Area:Physics
  • Publication Date:2024
  • ISSN:07342101
  • DOI:10.1116/6.0003762
  • Accession Number:179513401
  • Copyright Statement:Copyright of Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

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