Synergistic erosion process of hydrocarbon films: a molecular dynamics study

Abstract

Fundamental processes leading to the erosion of hydrocarbon films due to energetic argon ions and hydrogen atoms have been investigated using molecular dynamics simulations. A generic mechanism has been identified for carbon erosion due to energetic (150 eV) argon ions in the presence of sub-eV hydrogen atoms. This surface erosion process, which we call hydrogen enhanced physical sputtering (HEPS), is primarily a physical sputtering mechanism, enhanced due to the screening effect of hydrogen atoms. The energetic argon ions create open bonds within their penetration range. The hydrogen atoms passivate the open bonds created within the first few atomic layers. Subsequent ion bombardment causes the breaking of C–C bonds within and beyond the H penetration range. The steric effect of H atoms bound to the top layer of carbon atoms prevents the re-attachment of the broken bonds, and this leads to unsaturated molecule emission from the surface. The kinetic energy of the emitted molecules is above thermal energy and the emission takes place within 5 ps after the ion impact.