Insight into acetylene plasma deposition using molecular dynamics simulations

P Brault and M Ji and D Sciacqua and F Poncin-Epaillard and J Berndt and E Kovacevic, PLASMA PROCESSES AND POLYMERS, 19, e2100103 (2022).

DOI: 10.1002/ppap.202100103

Molecular dynamics simulations are carried out for studying the growth and properties of polymers from pure acetylene plasma. A mixture of H, C2H, and C2H2 is the initial composition used for running the molecular dynamics simulations. The resulting films are characterized by determining the bond order, H/C ratio, and simulated infrared spectrum. The latter is qualitatively compared with three different experiments: IR peak identification and positions are recovered.

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