Electron and Positron Scattering Cross Sections from CO2: A Comparative Study over a Broad Energy Range (0.1-5000 eV)

dc.contributor.authorLozano, Ana I.
dc.contributor.authorAdrian, Garcia-Abenza
dc.contributor.authorBlanco, Francisco
dc.contributor.authorHasan, Mahmudul
dc.contributor.authorSlaughter, Daniel S.
dc.contributor.authorWeber, Thorsten
dc.contributor.authorMcEachran, Robert
dc.contributor.authorWhite, Ronald Douglas
dc.contributor.authorBrunger, Michael J
dc.contributor.authorLimao-Vieira, P.
dc.contributor.authorGarcia Gomez-Tejedor, Gustavo
dc.date.accessioned2026-01-20T00:51:21Z
dc.date.available2026-01-20T00:51:21Z
dc.date.issued2022
dc.date.updated2023-10-22T07:16:32Z
dc.description.abstractIn this Review, we present a comparative study between electron and positron scattering cross sections from CO2 molecules over a broad impact energy range (0.1-5000 eV). For electron scattering, new total electron scattering cross sections (e-TCS) have been measured with a high resolution magnetically confined electron beam transmission system from 1 to 200 eV. Dissociative electron attachment processes for electron energies from 3 to 52 eV have been analyzed by measuring the relative O- anion production yield. In addition, elastic, inelastic, and total scattering cross section calculations have been carried out in the framework of the Independent Atom Model by using the Screening Corrected Additive Rule, including interference effects (IAM-SCARI). Based on the previous cross section compilation from Itikawa (J. Phys. Chem. Ref. Data, 2002, 31, 749-767) and the present measurements and calculations, an updated recommended e-TCS data set has been used as reference values to obtain a self-consistent integral cross section data set for the elastic and inelastic (vibrational excitation, electronic excitation, and ionization) scattering channels. A similar calculation has been carried out for positrons, which shows important differences between the electron scattering behavior: e.g., more relevance of the target polarization at the lower energies, more efficient excitation of the target at intermediate energies, but a lower total scattering cross section for increasing energies, even at 5000 eV. This result does not agree with the charge independence of the scattering cross section predicted by the first Born approximation (FBA). However, we have shown that the inelastic channels follow the FBA's predictions for energies above 500 eV while the elastic part, due to the different signs of the scattering potential constituent terms, remains lower for positrons even at the maximum impact energy considered here (5000 eV). As in the case of electrons, a self-consistent set of integral positron scattering cross sections, including elastic and inelastic (vibrational excitation, electronic excitation, positronium formation, and ionization) channels is provided. Again, to derive these data, positron scattering total cross sections based on a previous compilation from Brunger et al. (J. Phys. Chem. Ref. Data, 2017, 46, 023102) and the present calculation have been used as reference values. Data for the main inelastic channels, i.e. direct ionization and positronium formation, derived with this procedure, show excellent agreement with the experimental results available in the literature. Inconsistencies found between different model potential calculations, both for the elastic and inelastic collision processes, suggest that new calculations using more sophisticated methods are required.
dc.description.sponsorshipThis study has been partially supported by the Spanish Ministerio de Ciencia e Innovación (Project PID2019-104727RB-C21) and the Spanish Ministerio de Universidades (Project PRX21/00340). Work performed at Lawrence Berkeley National Laboratory was supported by the US Department of Energy, Office of Science, Division of Chemical Sciences of the Office of Basic Energy Sciences, under Contract DE-AC02-05CH11231. M.H. was supported by the US Department of Energy Office of Science, Basic Energy Sciences under Award No. DE-SC0019482. P.L.V. acknowledges the Portuguese National Funding Agency (FCT) through Research Grants CEFITEC (UIDB/00068/2020) and PTDC/FIS-AQM/31281/2017. The work is part of COST Action CA18212 - Molecular Dynamics in the GAS phase (MD-GAS).
dc.format.mimetypeapplication/pdfen_AU
dc.identifier.issn1089-5639
dc.identifier.urihttps://hdl.handle.net/1885/733804761
dc.language.isoen_AUen_AU
dc.provenanceThis publication is licensed under CC-BY 4.0 (https://creativecommons.org/licenses/by/4.0/).
dc.publisherAmerican Chemical Society
dc.rights© 2022 American Chemical Society
dc.rights.licenseCC-BY 4.0
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceJournal of Physical Chemistry A
dc.titleElectron and Positron Scattering Cross Sections from CO2: A Comparative Study over a Broad Energy Range (0.1-5000 eV)
dc.typeJournal article
dcterms.accessRightsOpen Access
local.bibliographicCitation.issue36
local.bibliographicCitation.lastpage6046
local.bibliographicCitation.startpage6032
local.contributor.affiliationLozano, Ana I., Instituto de Fusica Fundamental, Consejo Superior de Investigaciones Cientaficas
local.contributor.affiliationAdrian, Garcia-Abenza, Instituto de Fusica Fundamental, Consejo Superior de Investigaciones Cientaficas
local.contributor.affiliationBlanco, Francisco, Universidad Complutense de Madrid
local.contributor.affiliationHasan, Mahmudul, Chemical Sciences Division, Lawrence Berkeley National Laboratory
local.contributor.affiliationSlaughter, Daniel S., Lawrence Berkeley National Laboratory
local.contributor.affiliationWeber, Thorsten, Lawrence Berkeley National Laboratory
local.contributor.affiliationMcEachran, Robert, College of Science, ANU
local.contributor.affiliationWhite, Ronald Douglas, James Cook University
local.contributor.affiliationBrunger, Michael J., Flinders University
local.contributor.affiliationLimao-Vieira, P., FCT-Universidade Nova de Lisboa
local.contributor.affiliationGarcia Gomez-Tejedor, Gustavo, Instituto de Fusica Fundamental, Consejo Superior de Investigaciones Cientaficas
local.contributor.authoruidMcEachran, Robert, u1817446
local.description.notesImported from ARIES
local.identifier.absfor510600 - Nuclear and plasma physics
local.identifier.ariespublicationa383154xPUB35875
local.identifier.citationvolume126
local.identifier.doi10.1021/acs.jpca.2c05005
local.identifier.scopusID2-s2.0-85137869010
local.type.statusPublished Version
publicationvolume.volumeNumber126

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