Paper
25 September 1995 Simulating surface femtochemistry: coverage dependence of laser-induced desorption of CO from copper surfaces
Clayton Springer, Martin Head-Gordon
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Abstract
The method of molecular dynamics with electronic frictions is employed to simulate femtosecond laser induced desorption of CO from Cu(100), at an initial surface temperature of 95 K. The effect of adsorbate coverage is assessed by comparing simulations at low coverage, and 0.5 ML coverage. For desorption due to a single 100 fs laser pulse, a significant enhancement of desorption yield due to overlayer coverage is obtained, particularly at the highest laser fluence considered (60 J m-2). The origin of this coverage dependence is discussed. Additionally, the simulations are reported in which the exciting laser pulse is split into two components, separated by a variable time delay.
© (1995) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Clayton Springer and Martin Head-Gordon "Simulating surface femtochemistry: coverage dependence of laser-induced desorption of CO from copper surfaces", Proc. SPIE 2547, Laser Techniques for Surface Science II, (25 September 1995); https://doi.org/10.1117/12.221467
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KEYWORDS
Molecules

Optical simulations

Femtosecond phenomena

Molecular interactions

Pulsed laser operation

Carbon monoxide

Gas lasers

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