title: Reconstruction and roughening of a catalytic Pt(110) surface coupled to kinetic oscillations.
abstract: Three-dimensional reconstruction and roughening of a Pt(110) surface is studied with the help of a qualitative Monte Carlo model. A distinct CO adsorption uptake on different surface phases is taken into account. The computations show that a "missing row" structure with defects relaxes to a more stable (111)-faceted structure. The CO+O2 reaction kinetics is modeled by a phenomenological equation with a cubic nonlinearity reproducing a correct qualitative picture of oscillations. The surface roughening developing under the reaction conditions causes slow changes in catalytic activity of the surface. A nanoscale front between the 1x1 and 1x2 phases disintegrates due to repeated phase transitions caused by CO coverage oscillations. Defect formation and roughening dominate the dynamics of surface phase transitions. A one-dimensional extension of the model reproduces microscopic traveling waves on the CO diffusion scale.
authors.affiliation: Department of Chemical Engineering, Technion, 32000 Technion City, Haifa, Israel.
authors.forename: Michael
authors.initials: M
authors.lastname: Monine
authors.forename: Len
authors.initials: L
authors.lastname: Pismen