Electron and Positron Scattering Cross Sections from CO2
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2022 |
| Outros Autores: | , , , , , , , , , |
| Tipo de documento: | Outros |
| Idioma: | eng |
| Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
| Texto Completo: | http://hdl.handle.net/10362/150661 |
Resumo: | Funding Information: This 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). Publisher Copyright: © 2022 American Chemical Society. |
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Electron and Positron Scattering Cross Sections from CO2A Comparative Study over a Broad Energy Range (0.1-5000 eV)Physical and Theoretical ChemistryFunding Information: This 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). Publisher Copyright: © 2022 American Chemical Society.In 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.CeFITec – Centro de Física e Investigação TecnológicaDF – Departamento de FísicaRUNLozano, Ana I.García-Abenza, AdriánBlanco Ramos, FranciscoHasan, MahmudulSlaughter, Daniel S.Weber, ThorstenMcEachran, Robert P.White, Ronald D.Brunger, Michael J.Limão-Vieira, PauloGarcía Gómez-Tejedor, Gustavo2023-03-15T22:36:02Z2022-09-152022-09-15T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/other15application/pdfhttp://hdl.handle.net/10362/150661eng1089-5639PURE: 55982377https://doi.org/10.1021/acs.jpca.2c05005info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-05-22T18:10:08Zoai:run.unl.pt:10362/150661Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-05-22T18:10:08Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
| dc.title.none.fl_str_mv |
Electron and Positron Scattering Cross Sections from CO2 A Comparative Study over a Broad Energy Range (0.1-5000 eV) |
| title |
Electron and Positron Scattering Cross Sections from CO2 |
| spellingShingle |
Electron and Positron Scattering Cross Sections from CO2 Lozano, Ana I. Physical and Theoretical Chemistry |
| title_short |
Electron and Positron Scattering Cross Sections from CO2 |
| title_full |
Electron and Positron Scattering Cross Sections from CO2 |
| title_fullStr |
Electron and Positron Scattering Cross Sections from CO2 |
| title_full_unstemmed |
Electron and Positron Scattering Cross Sections from CO2 |
| title_sort |
Electron and Positron Scattering Cross Sections from CO2 |
| author |
Lozano, Ana I. |
| author_facet |
Lozano, Ana I. García-Abenza, Adrián Blanco Ramos, Francisco Hasan, Mahmudul Slaughter, Daniel S. Weber, Thorsten McEachran, Robert P. White, Ronald D. Brunger, Michael J. Limão-Vieira, Paulo García Gómez-Tejedor, Gustavo |
| author_role |
author |
| author2 |
García-Abenza, Adrián Blanco Ramos, Francisco Hasan, Mahmudul Slaughter, Daniel S. Weber, Thorsten McEachran, Robert P. White, Ronald D. Brunger, Michael J. Limão-Vieira, Paulo García Gómez-Tejedor, Gustavo |
| author2_role |
author author author author author author author author author author |
| dc.contributor.none.fl_str_mv |
CeFITec – Centro de Física e Investigação Tecnológica DF – Departamento de Física RUN |
| dc.contributor.author.fl_str_mv |
Lozano, Ana I. García-Abenza, Adrián Blanco Ramos, Francisco Hasan, Mahmudul Slaughter, Daniel S. Weber, Thorsten McEachran, Robert P. White, Ronald D. Brunger, Michael J. Limão-Vieira, Paulo García Gómez-Tejedor, Gustavo |
| dc.subject.por.fl_str_mv |
Physical and Theoretical Chemistry |
| topic |
Physical and Theoretical Chemistry |
| description |
Funding Information: This 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). Publisher Copyright: © 2022 American Chemical Society. |
| publishDate |
2022 |
| dc.date.none.fl_str_mv |
2022-09-15 2022-09-15T00:00:00Z 2023-03-15T22:36:02Z |
| dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
| dc.type.driver.fl_str_mv |
info:eu-repo/semantics/other |
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other |
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publishedVersion |
| dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10362/150661 |
| url |
http://hdl.handle.net/10362/150661 |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
1089-5639 PURE: 55982377 https://doi.org/10.1021/acs.jpca.2c05005 |
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info:eu-repo/semantics/openAccess |
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openAccess |
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15 application/pdf |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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