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Atoms
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Interaction of Electrons with Atoms and Molecules in Ionized Environments
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Interaction of Electrons with Atoms and Molecules in Ionized Environments

A special issue of Atoms (ISSN 2218-2004). This special issue belongs to the section "Atomic, Molecular and Nuclear Spectroscopy and Collisions".

Deadline for manuscript submissions: 31 August 2025 | Viewed by 2583

Special Issue Editors

Dr. Mehdi Ayouz

E-Mail Website
Guest Editor
CentraleSupélec, Université Paris Saclay, F-91190 Gif-sur-Yvette, France
Interests: modeling fundamental elementary processes involving photons, electrons, atoms, and molecules for applications ranging from engineering to plasma; use of novel tools such as machine learning in quantum sciences
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Viatcheslav KOKOOULINE

E-Mail Website
Guest Editor
Department of Physics, University of Central Florida, Orlando, FL 32816, USA
Interests: Electron-molecule collisions; quantum defect theory; ultracold atoms and molecules; quantum control of reactions at low energies; elementary AMO processes in the interstellar medium and cold plasma; three-body AMO processes at low energies

Special Issue Information

Dear Colleagues,

Over the last decades, low-temperature plasma science and technology have attracted the attention of many research groups due to a plethora of applications ranging from material development (semi-conductor and photovoltaic industries), to waste treatment, to air pollution control (atmospheric depollution), and to astrophysical environments (interstellar medium), and from nuclear fusion reactors to biomedical applications or recently to food processing. These applications and advances are supported by significant efforts in understanding the mechanisms governing the plasma sources, especially those involving collisions between electrons, atoms, and molecules. Articles in this Special Issue provide insight into the current theoretical approaches employed to describe electron-induced reactivity in atomic and/or molecular systems. Examples of calculations of cross-sections and related rate coefficients will be highlighted with a focus on their potential use in plasma science.

In this Special Issue, papers from both communities of data basis and plasma are welcome. Research areas may include (but are not limited to) the theoretical calculations of cross-sections for various processes such as vibrational excitations, rotational excitations, electronic excitations, dissociative recombination, electronic attachment, and so on, highlighting their potential use in plasma-based applications.

Dr. Mehdi Ayouz
Prof. Dr. Viatcheslav KOKOOULINE
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Atoms is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1500 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • computation of electron, atomic and molecular data
  • electron and atomic collisions
  • molecular electron and molecular collisions
  • plasma applications
  • astrophysical molecules

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Published Papers (2 papers)

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16 pages, 1489 KiB  
Article
Theoretical Study of the Dissociative Recombination and Vibrational (De-)Excitation of HCNH+ and Its Isomers by Electron Impact
by Mehdi Adrien Ayouz and Arnaud Buch
Atoms 2024, 12(12), 64; https://doi.org/10.3390/atoms12120064 - 3 Dec 2024
Viewed by 730
Abstract
Protonated hydrogen cyanide, HCNH+, is one of the most important molecules of interest in the astrophysical and astrochemical fields. This molecule not only plays the role of a reaction intermediary in various types of interstellar reactions but was also identified in [...] Read more.
Protonated hydrogen cyanide, HCNH+, is one of the most important molecules of interest in the astrophysical and astrochemical fields. This molecule not only plays the role of a reaction intermediary in various types of interstellar reactions but was also identified in Titan’s upper atmosphere. The cross sections for the dissociative recombination (DR) and vibrational (de-)excitation (VE and VDE) of HCNH+ and its CNH2+ isomer are computed using a theoretical approach based on a combination of the normal mode approximation for the vibrational states of the target ions and the UK R-matrix code to evaluate electron-ion scattering matrices for fixed geometries of ions. The theoretical convoluted DR cross section for HCNH+ agrees well with the experimental data and a previous study. It was also found that the DR of the CNH2+ isomer is important, which suggests that this ion might be present in DR experiments of HCNH+. Moreover, the ab initio calculations performed on the H2CN+ isomer predict that this ion is a transition state. This result was confirmed by the study of the reaction path of the HCNH+ isomerization that was carried out by evaluating the intrinsic reaction coordinate (IRC). Finally, thermally averaged rate coefficients derived from the cross sections are provided for temperatures in the 10–10,000 K range. A comprehensive set of calculations is performed to assess the uncertainty of the obtained data. These results should help in modeling non-LTE spectra of HCNH+, taking into account the role of its most stable isomer, in various astrophysical environments. Full article
(This article belongs to the Special Issue Interaction of Electrons with Atoms and Molecules in Ionized Environments)
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16 pages, 459 KiB  
Article
Experimental and Theoretical Electron Collision Broadening Parameters for Several Ti II Spectral Lines of Industrial and Astrophysical Interest
by Lucía Isidoro-García, Isabel de Andrés-García, Juan Porro, Francisco Fernández and Cristóbal Colón
Atoms 2024, 12(7), 35; https://doi.org/10.3390/atoms12070035 - 9 Jul 2024
Viewed by 1288
Abstract
A Q-switched Nd:YAG laser was focused on the Pb–Ti alloy samples in several laser-induced breakdown experiments in order to measure the Stark parameters of several spectral lines (58) of singly ionized titanium, including the 3504.89 Å and 3510.83 Å lines (where we achieved [...] Read more.
A Q-switched Nd:YAG laser was focused on the Pb–Ti alloy samples in several laser-induced breakdown experiments in order to measure the Stark parameters of several spectral lines (58) of singly ionized titanium, including the 3504.89 Å and 3510.83 Å lines (where we achieved new experimental and theoretical values). The diagnostics of the laser-induced plasmas (electron density and electron temperature) were performed using Balmer’s H alpha line (6562.7 Å). The temperatures were obtained by the Boltzmann plot technique with spectral lines of Pb I (after correction for its evident self-absorption). Subsequently, the calculations by the Griem approach of the Stark broadening parameters for several spectral lines were performed using the Gaunt factors proposed by van Regemorter and those proposed by Douglas H. Sampson. In the latter case, the values obtained were very close to the experimental values. This enables us to assume that the calculations performed for the spectral lines of Ti II, without experimental information, are more accurate using the Gaunt factors proposed by Sampson. Full article
(This article belongs to the Special Issue Interaction of Electrons with Atoms and Molecules in Ionized Environments)
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