摘要The presence of oxygen in the subsurface in monomer-dimer reactions (CO-O2 and NO−CO) is observed experimentally. The effect of subsurface oxygen on a CO-O2 catalytic reaction on a face-centered cubic (FCC) lattice is studied using Monte Carlo simulation. The effect of adding subsurface neighbours on the phase diagram is also extensively explored. It is observed that the subsurface oxygen totally eliminates the typical second order phase transition. It is also shown that the introduction of the diffusion of O atoms and the subsurface of the FCC lattice shifts the single transition point towards the stoichiometric ratio.
Abstract:The presence of oxygen in the subsurface in monomer-dimer reactions (CO-O2 and NO−CO) is observed experimentally. The effect of subsurface oxygen on a CO-O2 catalytic reaction on a face-centered cubic (FCC) lattice is studied using Monte Carlo simulation. The effect of adding subsurface neighbours on the phase diagram is also extensively explored. It is observed that the subsurface oxygen totally eliminates the typical second order phase transition. It is also shown that the introduction of the diffusion of O atoms and the subsurface of the FCC lattice shifts the single transition point towards the stoichiometric ratio.
K. Iqbal;A. Basit**
. A Monte Carlo Simulation of a Monomer Dimer CO-O2 Catalytic Reaction on the Surface and Subsurface of a Face-centered Cubic Lattice[J]. 中国物理快报, 2011, 28(4): 48201-048201.
K. Iqbal, A. Basit**
. A Monte Carlo Simulation of a Monomer Dimer CO-O2 Catalytic Reaction on the Surface and Subsurface of a Face-centered Cubic Lattice. Chin. Phys. Lett., 2011, 28(4): 48201-048201.
[1] Ziff R M, Gulari E and Barshad Y 1986 Phys. Rev. Lett. 56 2553
[2] Schmatloch V, Jirka I, Heinze S and Kruse N 1995 Surf. Sci. 331 23
[3] Ladas S, Imbihl R and Ertl G 1989 Surf. Sci. 219 88
[4] Meakin P and Scalapino D J 1987 J. Chem. Phys. 87 731
[5] Brosilow B J and Ziff R M 1992 J. Catal. 136 275
[6] Jensen I and Fogedby H C 1990 Phys. Rev. A 42 1969
[7] Ehsasi M, Matloch M, Frank O, Block J H, Christmann K, Rys F S and Hirschwald W 1989 J. Chem. Phys. 91 4949
[8] Evans J W 1993 J. Chem. Phys. 98 2463
[9] Albano E V 1992 Phys. Rev. Lett. 69 656
[10] Albano E V 1992 J. Phys. A 25 2557
[11] Khan K M, Khalifeh J, Yaldram K and Khan M A 1997 J. Chem. Phys. 106 8890
[12] Khan K M and Yaldram K 1999 Sur. Sci. 445 186
[13] Khan K M 2000 Sur. Sci. 470 155
[14] Bagnoli F, Sente B, Dumont M and Dagonnier R 1991 J. Chem. Phys. 94 777
[15] Satulavsky J and Albano E V 1992 J. Chem. Phys. 97 9490
[16] Cortes J and Vliana E, ArayaP 1998 J. Chem. Phys. 109 5607
[17] Meakin P 1990 J. Chem. Phys. 93 2903
[18] Khan K M and Ahmad W 2002 J. Phys. A: Math. Gen 35 2713
[19] Jackson B and Persson M 1995 J. Chem. Phys. 103 6257
[20] Yamamoto F, Kasai H and Okeh A 1991 J. Chem. Phys. Soc. Jpn. 60 982