Cross Sections for Electron Collisions with NF3

Song, Mi‐Young; Yoon, Jung‐Sik; Cho, Hyuck; Karwasz, Grzegorz P.; Kokoouline, Viatcheslav; Nakamura, Yoshiharu; Hamilton, James; Tennyson, Jonathan

doi:10.1063/1.5000687

Cited by 15 publications

(29 citation statements)

References 53 publications

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“…For C 2 H 2 we presented [38] a set of differential cross sections for j = 0 → j = 0, 2, 4 at collision energies 0.1-10 eV, obtained using the Quantemol-N [78] implementation of the UK molecular R-matrix suite of programmes [79]; hardly any theory [80] or experiment exists to compare against. Similar calculations for NF 3 (for five rotational transitions) (see [41]), showed clearly the resonant state at about 2 eV. This is also the case of the shape resonance in N 2 O, well pronounced in the rotation-elastic channel, for all j = 1 → j = 1 − 5 transitions (see [39]).…”

Section: Other Processessupporting

confidence: 69%

“…The same set of programmes, based on the UK R-matrix code have been used to obtain IEESC for targets in which no experiments are available, like NF 3 [41] and NO 2 [39].…”

Section: Other Processesmentioning

confidence: 99%

“…Theoretical cross sections for dissociation into eight neutral channels in NF 3 have been obtained by R-matrix method by Hamilton et al [67] and see also [41], but we are not aware of any experiment to compare with.…”

Section: Other Processesmentioning

confidence: 99%

“…The present group, defined by the authors of this paper, was born out of the data needs of models of fusion edge plasmas for the ITER experiment, so our first papers were dedicated to hydrocarbons [37,38]. However our more recent compilations include atmospheric species [39,40] and gases with potential industrial applications, like NF 3 [41]. The expertise in the group is deliberately mixed consisting of theory, beam and swarm experiments and plasma applications.…”

mentioning

confidence: 99%

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“Recommended” cross sections for electron collisions with molecules

Song¹,

Yoon²,

Cho

et al. 2020

Eur. Phys. J. D

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The procedures for constructing recommended sets of cross sections for electron scattering on molecules are described. Possible sources of errors in total and partial cross section measurements are discussed. Examples when the theory successfully supports and/or substitutes measurements are given. The target molecules discussed comprise CH4, C2H2, NF3, N2O, NO2 and H2O. 1 Databases Closer and closer deadlines for the peaceful use of thermonuclear energy [1], recent discoveries in astrochemistry [2] and the demands of studies using technological plasmas [3] have combined to trigger renewed interest in electron-molecule scattering. Numerous recommended sets of cross sections for electron scattering on atoms and molecules are available in the literature and on the internet. These cross section sets usually evolved from national centers of research.

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Section: Other Processessupporting

confidence: 69%

“…The same set of programmes, based on the UK R-matrix code have been used to obtain IEESC for targets in which no experiments are available, like NF 3 [41] and NO 2 [39].…”

Section: Other Processesmentioning

confidence: 99%

Section: Other Processesmentioning

confidence: 99%

mentioning

confidence: 99%

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“Recommended” cross sections for electron collisions with molecules

Song¹,

Yoon²,

Cho

et al. 2020

Eur. Phys. J. D

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“…Electron collisions drive many processes both in the natural world and industrial processes. Compilations of electron collision cross sections, see for example [1][2][3][4], are becoming increasingly reliant on theory. Indeed the difficulty of measuring cross sections for chemically unstable species (radicals) has led to the suggestion that computed cross sections represent the solution for many problems involving technological plasmas [5,6].…”

Section: Introductionmentioning

confidence: 99%

Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method

Cooper

Tudorovskaya

Mohr

et al. 2019

Atoms

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Collisions of low energy electrons with molecules are important for understanding many aspects of the environment and technologies. Understanding the processes that occur in these types of collisions can give insights into plasma etching processes, edge effects in fusion plasmas, radiation damage to biological tissues and more. A radical update of the previous expert system for computing observables relevant to these processes, Quantemol-N, is presented. The new Quantemol Electron Collision (QEC) expert system simplifyies the user experience, improving reliability and implements new features. The QEC graphical user interface (GUI) interfaces the Molpro quantum chemistry package for molecular target setups, and the sophisticated UKRmol+ codes to generate accurate and reliable cross-sections. These include elastic cross-sections, super elastic cross-sections between excited states, electron impact dissociation, scattering reaction rates, dissociative electron attachment, differential cross-sections, momentum transfer cross-sections, ionization cross sections, and high energy electron scattering cross-sections. With this new interface we will be implementing dissociative recombination estimations, vibrational excitations for neutrals and ions, and effective core potentials in the near future.

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Selective Synthesis of Ethylene and Acetylene from Dimethyl Sulfide Cold Films Controlled by Slow Electrons

et al. 2018

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One of the major challenges in chemical synthesis is to trigger and control a specific reaction route leading to a specific final product, while side products are avoided. Methodologies based on resonant processes at the molecular level, for example, photochemistry, offer the possibility of inducing selective reactions. Electrons at energies below the molecular ionization potential (<10 eV) are known to dissociate molecules via resonant processes with higher cross sections and specificity than photons. Here we show that even subexcitation electrons with energies as low as 1 eV produce ethylene and acetylene from dimethyl sulfide in competing reactions. However, the production of ethylene can specifically be targeted by controlling the energy of electrons (∼3 to 4 eV). Finally, pure ethylene is selectively desorbed by heating the substrate from 90 to 105 K. Beyond the synthesis of these versatile hydrocarbons for various industrial applications from a biogenic sulfur compound, our findings demonstrate the feasibility of electron-induced selective chemistry applicable on the nanoscale.

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Cross Sections for Electron Collisions with NF3

Cited by 15 publications

References 53 publications

“Recommended” cross sections for electron collisions with molecules

“Recommended” cross sections for electron collisions with molecules

Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method

Selective Synthesis of Ethylene and Acetylene from Dimethyl Sulfide Cold Films Controlled by Slow Electrons

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