Molecular dynamics approach for the calculation of the surface loss probabilities of neutral species in argon–methane plasma

• Published in: Plasma processes and polymers Vol. 21; no. 2
• Main Authors: Otakandza‐Kandjani, Glenn‐Christopher, Brault, Pascal, Mikikian, Maxime, Michau, Armelle, Hassouni, Khaled
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 01-02-2024; Wiley-VCH Verlag
• Subjects: Argon; C:H film; Chemical Sciences; Film growth; hydrocarbon plasma; Mathematical analysis; Methane; Molecular dynamics; or physical chemistry; Physics; Plasma Physics; sticking probability; surface loss probability; surface recombination probability; Theoretical and; surface loss probability; C:H film; molecular dynamics; sticking probability; hydrocarbon plasma; surface recombination probability
• ISSN: 1612-8850; 1612-8869
• DOI: 10.1002/ppap.202300120

Molecular dynamics simulations are carried out for calculating the surface loss probabilities of neutral species from an argon–methane plasma. These probabilities are the sum of the sticking and surface recombination probabilities. This study considers both the formation of reactive and nonreactive volatile species for evaluating recombination probabilities. Results show that stable species are reflected when hydrocarbon film starts growing on the surface. CH3 is mainly lost by surface recombination leading to the formation of volatile products while very little contributes to film growth. C2H has surface loss probability in agreement with the literature. While C2H loss is usually attributed to sticking on the surface, our results show that its main loss process is due to surface recombination.
Molecular dynamics simulations are carried out for calculating the surface loss probabilities of neutral species from an argon–methane plasma. These probabilities are the sum of the sticking and surface recombination probabilities. This study considers both the formation of reactive and nonreactive volatile species for evaluating recombination probabilities.