화학공학소재연구정보센터
Journal of Chemical Physics, Vol.110, No.22, 11023-11028, 1999
Collision induced migration of adsorbates on surfaces
Collision induced migration (CIM) has been identified as a new surface phenomenon and has been studied for the first time using molecular dynamics simulations. The CIM process was represented by an energetic gas phase argon atom, striking an adsorbed nitrogen molecule on Ru(001). The efficiency of CIM was investigated as a function of the collider initial kinetic energy and angle of incidence. It was found that at low coverages an adsorbed molecule can migrate more than 150 Angstrom following collisions at high energies and grazing angles of incidence. As coverage increases, inter- adsorbate collisions result in significant reduction of migration distances. At high energies, the competing process of collision induced desorption becomes dominant, leaving behind molecules which migrate shorter distances. These competing channels lead to a collision energy for which CIM is maximized. For the N-2/Ru system, the CIM process is most effective near collider energy of 2.0 eV. This new surface phenomenon of CIM has to be considered for better understanding the full range of surface processes which govern industrial high pressure catalysis. At the tail of the thermal kinetic energy distribution, energetic colliders from the gas phase lead to CIM and generate high energy inter- adsorbate collisions, sometimes discussed in terms of "hot-particle'' chemistry.