Molecular adsorbate-induced surface reconstruction: CO/Pd{110}

Spatial distributions of desorbing products in steady-state NO and N2O reductions on Pd(110)

“…However, the reconstructed Pd͑110͒͑1 ϫ 2͒ stabilized by oxygen is converted into the ͑1 ϫ 1͒ form when the surface oxygen is removed above 355 K. 43 The ͑1 ϫ 2͒ reconstruction by CO appears only at high CO coverage. [49][50][51][52] LEED observations were consistent with the absence of bidirectional CO 2 desorption in N 2 O or NO reduction. The LEED pattern due to c͑2 ϫ 4͒-O or ͑2 ϫ 3͒-1D-O was suppressed with increasing CO pressures, yielding more products.…”

“…60 This is close to the coverage of the p͑2 ϫ 2͒-CO lattice. 49,50 The coverage of O͑a͒ and N͑a͒ may increase to much higher levels in the active region of the NO reduction than that in the N 2 O reaction because the sticking probability of NO is much larger than that of N 2 O. 54 In fact, adsorbed oxygen atoms play a role of not only an inhibitor toward N 2 O dissociation but also a stabilizer of it.…”

Monte Carlo simulations of surface reactions

“…Successful modeling of the oscillations has been conducted by Imbihl et al [77,84], and spatiotemporal patterns were shown to exist in this system [85]. There is also the observation that CO adsorption may trigger surface reconstruction on Pd, which may thus play a role as on Pt [86]. The meanfield theory results in oscillations between two nonoscillating steady states, while the observations indicate switching between two oscillating states.…”

Kinetic Monte Carlo modeling of CO desorption and adsorption on Pd(110) surface

“…It includes all the interactions between the adsorbate and surface, and between the adsorbates. Pd(110) surface is known to reconstruct as a result of adsorption of CO, at high enough temperatures [1]. At coverages u below 0.3 or above 0.9, the structure of the adsorbate layer does not depend on temperature.…”

“…Carbon monoxide is one of the most inspected single adsorbate molecules, one reason being that it is a component of the automobile exhaust gases. Another reason is that it is a good model adsorbate and its behavior is known experimentally and understood theoretically in many model cases, now [1][2][3]. However, it is still an object of intensive research due to variable behavior at different surfaces [2,[4][5][6][7][8].…”