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Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)

The Landau-Zener model is used to systematically compute mutual neutralization cross sections for collisions between [Formula: see text] / [Formula: see text] , [Formula: see text] / [Formula: see text] , [Formula: see text] / [Formula: see text] and [Formula: see text] / [Formula: see text]. Potent...

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Detalles Bibliográficos
Autores principales: Nkambule, Sifiso M., Mabuza, Oscar N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9647365/
https://www.ncbi.nlm.nih.gov/pubmed/36387438
http://dx.doi.org/10.1016/j.heliyon.2022.e11443
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author Nkambule, Sifiso M.
Mabuza, Oscar N.
author_facet Nkambule, Sifiso M.
Mabuza, Oscar N.
author_sort Nkambule, Sifiso M.
collection PubMed
description The Landau-Zener model is used to systematically compute mutual neutralization cross sections for collisions between [Formula: see text] / [Formula: see text] , [Formula: see text] / [Formula: see text] , [Formula: see text] / [Formula: see text] and [Formula: see text] / [Formula: see text]. Potential energy curves for electronic states that are relevant for mutual neutralization are taken from available literature. Where non-adiabatic couplings are available, they are utilized to compute the diabatic potential energy curves, crossing distance and electronic couplings. In cases where non-adiabatic couplings are not available, they are approximated using a Lorentzian function. The reaction cross sections are computed for the energy range 0.001 eV to 1000 eV. The results are compared with other available experimental and theoretical results and are found to be very comparable. There is an observable trend in the reaction cross section involving ions of metals and hydrogen at collision energies below 10 eV, with the heaviest metal showing the largest reaction cross section and the lightest metal with the lowest cross section. At collision energies below 10 eV, isotope effect is also found to have an effect on the reaction cross section for [Formula: see text] / [Formula: see text].
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spelling pubmed-96473652022-11-15 Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−) Nkambule, Sifiso M. Mabuza, Oscar N. Heliyon Research Article The Landau-Zener model is used to systematically compute mutual neutralization cross sections for collisions between [Formula: see text] / [Formula: see text] , [Formula: see text] / [Formula: see text] , [Formula: see text] / [Formula: see text] and [Formula: see text] / [Formula: see text]. Potential energy curves for electronic states that are relevant for mutual neutralization are taken from available literature. Where non-adiabatic couplings are available, they are utilized to compute the diabatic potential energy curves, crossing distance and electronic couplings. In cases where non-adiabatic couplings are not available, they are approximated using a Lorentzian function. The reaction cross sections are computed for the energy range 0.001 eV to 1000 eV. The results are compared with other available experimental and theoretical results and are found to be very comparable. There is an observable trend in the reaction cross section involving ions of metals and hydrogen at collision energies below 10 eV, with the heaviest metal showing the largest reaction cross section and the lightest metal with the lowest cross section. At collision energies below 10 eV, isotope effect is also found to have an effect on the reaction cross section for [Formula: see text] / [Formula: see text]. Elsevier 2022-11-04 /pmc/articles/PMC9647365/ /pubmed/36387438 http://dx.doi.org/10.1016/j.heliyon.2022.e11443 Text en © 2022 The Author(s) https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Research Article
Nkambule, Sifiso M.
Mabuza, Oscar N.
Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)
title Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)
title_full Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)
title_fullStr Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)
title_full_unstemmed Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)
title_short Studies of mutual neutralization in collisions involving Mg(+)/H(−), Na(+)/H(−), Li(+)/H(−) and Li(+)/Cl(−)
title_sort studies of mutual neutralization in collisions involving mg(+)/h(−), na(+)/h(−), li(+)/h(−) and li(+)/cl(−)
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9647365/
https://www.ncbi.nlm.nih.gov/pubmed/36387438
http://dx.doi.org/10.1016/j.heliyon.2022.e11443
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