skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electron and Positron Scattering Cross Sections from CO 2 : A Comparative Study over a Broad Energy Range (0.1–5000 eV)

Journal Article · · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
ORCiD logo [1];  [2];  [3];  [4]; ORCiD logo [5];  [5];  [6];  [7];  [8]; ORCiD logo [9]; ORCiD logo [10]
  1. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006 Madrid, Spain, Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal
  2. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006 Madrid, Spain
  3. Departamento de Estructura de la Materia, Física Térmica y Electrónica e IPARCOS, Universidad Complutense de Madrid, Avenida Complutense, E-28040 Madrid, Spain
  4. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Department of Physics and Astronomy, University of Nebraska−Lincoln, Lincoln, Nebraska 68588, United States
  5. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
  6. The Research School of Physics, Australian National University, Canberra, ACT 0200, Australia
  7. College of Science and Engineering, James Cook University, Townsville 4810, Australia
  8. College of Science and Engineering, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia, Department of Actuarial Science and Applied Statistics, Faculty of Business and Management, UCSI University, Kuala Lumpur 56000, Malaysia
  9. Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal
  10. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006 Madrid, Spain, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

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.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; Portuguese National Funding Agency (FCT)
Grant/Contract Number:
SC0019482; AC02-05CH11231; UIDB/00068/2020; PTDC/FIS-AQM/31281/2017
OSTI ID:
1885863
Alternate ID(s):
OSTI ID: 1887206; OSTI ID: 1887961
Journal Information:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Vol. 126 Journal Issue: 36; ISSN 1089-5639
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (96)

Positron scattering from carbon dioxide journal July 2006
An improved set of electron-THFA cross sections refined through a neural network-based analysis of swarm data journal February 2021
Positron scattering from simple molecules journal June 2017
Advances in non-equilibrium $$\hbox {CO}_2$$ plasma kinetics: a theoretical and experimental review journal September 2021
A comparative study of electron and positron scattering from chlorobenzene (C6H5Cl) and chloropentafluorobenzene (C6F5Cl) molecules journal December 2003
New model for electron‐impact ionization cross sections of molecules journal February 1996
Remarks on total and elastic cross sections for electron and positron scattering from CO2 journal November 1997
Positron–molecule scattering experiments journal August 1998
e±COande±CO2total cross-section measurements journal March 1983
Simulating the Feasibility of Using Liquid Micro-Jets for Determining Electron–Liquid Scattering Cross-Sections journal March 2022
Positron interactions with water–total elastic, total inelastic, and elastic differential cross section measurements journal January 2014
Determining cross sections from transport coefficients using deep neural networks journal May 2020
Threshold Vibrational Excitation of C O 2 by Slow Electrons journal February 2004
Production of O− from CO2 by dissociative electron attachment journal April 1983
Total scattering cross sections for intermediate-energy positrons in the molecular gases H 2 , O 2 , N 2 , CO 2 and CH 4 journal June 1980
Total-cross-section measurements for positrons and electrons colliding with H 2 , N 2 , and C O 2 journal March 1982
Excitation and ionization of atoms by interaction with electrons, positrons, protons and photons journal August 1989
Resonant scattering of electrons by molecules journal July 1968
Positron Scattering from Gas-Phase Beryllium and Magnesium: Theory, Recommended Cross Sections, and Transport Simulations journal September 2019
Elastic electron scattering by CO2, OCS, and CS2 from 0 to 100 eV journal December 1979
Absolute total cross sections for electron-CO2scattering at energies form 0.5 to 3000 eV journal November 1987
Electron scattering from vibrationally excited CO2 journal October 1987
Electron impact ionization of 1-butanol: II. Total ionization cross sections and appearance energies journal July 2018
Excitation of Electronic States of Ar, H 2 , and N 2 by Positron Impact journal July 2001
Cross sections for production of O2− and C by dissociative electron attachment in CO 2 : An observation of the Renner‐Teller effect journal January 1974
Dissociative-electron-attachment dynamics near the 8-eV Feshbach resonance of CO 2 journal August 2013
Elastic electron scattering from journal January 1999
Modelling single positron tracks in Ar journal February 2012
Improved non-empirical absorption potential for electron scattering at intermediate and high energies: 30–10000 eV journal May 1999
Binary-encounter-dipole model for electron-impact ionization journal November 1994
Optical-model potential for electron and positron elastic scattering by atoms journal July 2003
UKRmol: a low-energy electron- and positron-molecule scattering suite journal March 2012
Shape resonances in vibrational excitation of molecules : [100] symmetric stretch mode excitation in CO2 journal January 1979
Theoretical study of resonant vibrational excitation of CO 2 by electron impact journal February 2002
Collisions of low-energy electrons with CO2 journal September 1999
Imaging the Molecular Dynamics of Dissociative Electron Attachment to Water journal November 2009
Positronium formation cross-sections for Xe, CO2and N2 journal January 2010
Self-consistent electron–THF cross sections derived using data-driven swarm analysis with a neural network model journal November 2020
Low-energy, elastic positron-molecule collisions using the R-matrix method: e+-He2and e+-N2 journal December 1986
Positron impact ionization of CO and CO2 journal September 2005
Quasifree-scattering model for the imaginary part of the optical potential for electron scattering journal November 1983
Non-dissociative and dissociative ionization of CO, CO2and CH4by positron impact journal December 1999
Total electron scattering cross sections from para-benzoquinone in the energy range 1–200 eV journal January 2018
Vibrational structures in electron CO 2 scattering below the 2   u shape resonance journal August 2002
Convergent close-coupling method for positron scattering from noble gases journal March 2012
Dissociative electron attachment to carbon dioxide via the 8.2 eV Feshbach resonance journal September 2011
Dissociation Dynamics of Anionic Carbon Dioxide in the Shape Resonant State 2Πu journal May 2022
Nonadjustable exchange-correlation model for electron scattering from closed-shell atoms and molecules journal April 1983
Electron scattering and ionization of ozone, O2and O4molecules journal October 2002
Positron Scattering from Molecules: An Experimental Cross Section Compilation for Positron Transport Studies and Benchmarking Theory journal June 2017
Schwinger multichannel method for positron-molecule scattering journal May 1993
Similarities and differences between electron and positron scattering from molecules journal September 2007
Resonant vibrational excitation of CO 2 by electron impact: Nuclear dynamics on the coupled components of the 2 Π u resonance journal April 2003
Many-body calculations of positron scattering and annihilation from noble-gas atoms journal July 1996
Experimental and theoretical analysis for total electron scattering cross sections of benzene journal August 2019
Differential cross sections for vibrational excitation of CO2by 1.5-30 eV electrons journal May 2001
Selectivity in the Excitation of Fermi-Coupled Vibrations in CO 2 by Impact of Slow Electrons journal June 2001
The positron-hydrogen system at low energies journal January 1995
Electron impact ionization of 1-propanol journal November 2017
Toward a complete and comprehensive cross section database for electron scattering from NO using machine learning journal August 2021
Resonant electron-impact excitation of vibrational modes in polyatomic molecules journal April 1996
Low-energy positron scattering byCO2 journal May 2008
Improvements on the quasifree absorption model for electron scattering journal February 2003
Screening corrections for the interference contributions to the electron and positron scattering cross sections from polyatomic molecules journal February 2016
Low-energy positron-argon collisions by using parameter-free positron correlation polarization potentials journal March 1990
Study of inelastic channels by positron impact on simple molecules journal June 2017
A new set of resonances in the electron scattering spectrum of CO 2 journal January 1982
Vibrational excitation of carbon dioxide by electron impact: symmetric and antisymmetric stretching modes journal July 1998
Interpretation of low-energy electron- CO 2 scattering journal September 2002
Potential energy surface of the CO2? anion journal January 2004
Total cross sections for electron scattering byCO2molecules in the energy range 400–5000 eV journal January 1996
A quasifree model for the absorption effects in positron scattering by atoms journal February 1996
Positronium formation from CO2 and H2O
  • Murtagh, D. J.; Arcidiacono, C.; Pešić, Z. D.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 247, Issue 1 https://doi.org/10.1016/j.nimb.2006.01.043
journal June 2006
Total cross section measurement for e-CO2scattering down to 0.07 eV journal February 1981
Ionization of CO2 by positron impact journal March 1993
Positron scattering from noble gases journal March 1977
Positron Scattering from Atoms and Molecules journal June 2020
Scattering data for modelling positron tracks in gaseous and liquid water journal June 2016
Low-energy positron interactions with atoms and molecules journal March 2005
Electron scattering cross section data for tungsten and beryllium atoms from 0.1 to 5000 eV journal July 2017
Convergent-close-coupling formalism for positron scattering from molecules journal February 2013
Cross Sections for Electron Collisions With Carbon Dioxide journal September 2002
A comparative study of electron and positron scattering from molecules. IV. CH3Cl, CH3Br, and CH3I molecules journal October 2001
Screening corrections for calculation of electron scattering differential cross sections from polyatomic molecules journal September 2004
Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water journal November 2021
Experimental evidence for a virtual state in a cold collision: Electrons and carbon dioxide journal July 2001
Low-energy differential scattering of electrons and positrons from noble gases journal December 1994
Positron and electron scattering from alkane molecules journal December 2005
Zeffaccording to the Schwinger multichannel method in positron scattering journal March 1994
Energy partitioning in the O−/CO2 dissociative attachment journal January 1985
Magnetically confined electron beam system for high resolution electron transmission-beam experiments journal June 2018
A Theoretical Study of Scattering of Electrons and Positrons by CO2 Molecule journal March 2022
Dissociative electron attachment to carbon dioxide via the 2 Π u shape resonance journal September 2013
Screening effects in the ionization of molecules by positrons journal December 2006
Electron transmission spectroscopy: Resonances in triatomic molecules and hydrocarbons journal January 1973
Total Cross-Section Measurements for 0.3–10 eV Positron Scattering on N2, CO, and CO2Molecules journal August 1993