Theoretical study of the influence of laser-induced defects on the adsorption of gases on solid surfaces

Laser treatment of a solid surface was modeled by applying an analytical theory as well as by using Monte Carlo simulations. The crystalline surface was assumed to be initially smooth and chemically uniform, that is free of impurities built into the structure. Creation of surface defects by a laser beam was assumed to have entirely random nature. In particular, the surface was assumed to have been scanned by the beam focused successively on randomly chosen points. In the course of the ablation process, the beam produces a pyramidal crater whose dimensions are proportional to the applied laser power. According to the assumed nature of the scanning procedure, the craters formed by the beam are allowed to overlap. The influence of the number of laser pulses and the crater dimensions on the structural and adsorptive properties of the surface were examined by analysis of the variation of the mean surface depth and the surface width. Changes in the adsorptive properties were also estimated by the calculation of the thermally programmed desorption (TPD) spectra of monomolecular adsorbates desorbed from laser-treated surfaces. Additionally, equilibrium adsorption isotherms were calculated for the obtained surfaces.