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  • 1
    Electronic Resource
    Electronic Resource
    Insight into why the Langmuir–Hinshelwood mechanism is generally preferred (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 4379-4381 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In heterogeneous catalysis, the two main reaction mechanisms which have been proposed are the Langmuir–Hinshelwood and the Eley–Rideal. For the vast majority of surface catalytic reactions, it has been accepted that the Langmuir–Hinshelwood mechanism is preferred. In this study, we investigate catalytic CO oxidation on Pt(111). It is found that reaction barriers for Langmuir–Hinshelwood mechanisms actually tend to be higher than those for Eley–Rideal ones. An explanation is presented as to why it is still more probable for the reaction to proceed via the Langmuir–Hinshelwood mechanism, despite its higher reaction barrier. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1458938
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  • 2
    Electronic Resource
    Electronic Resource
    A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111) (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 5272-5277 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Alloying metals is often used as an effective way to enhance the reactivity of surfaces. Aiming to shed light on the effect of alloying on reaction mechanisms, we carry out a comparative study of CO oxidation on Cu3Pt(111), Pt(111), and Cu(111) by means of density functional theory calculations. Alloying effects on the bonding sites and bonding energies of adsorbates, and the reaction pathways are investigated. It is shown that CO preferentially adsorbs on an atop site of Pt and O preferentially adsorbs on a fcc hollow site of three Cu atoms on Cu3Pt(111). It is also found that the adsorption energies of CO (or Oa) decreases on Pt (or Cu) on the alloy surface with respect to those on pure metals. More importantly, having identified the transition states for CO oxidation on those three surfaces, we found an interesting trend for the reaction barrier on the three surfaces. Similar to the adsorption energies, the reaction barrier on Cu3Pt possesses an intermediate value of those on pure Pt and Cu metals. The physical origin of these results has been analyzed in detail. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1395626
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  • 3
    Electronic Resource
    Electronic Resource
    Corner transfer matrices of the eight-vertex model. I. Low-temperature expansions and conjectured properties (1976)
    Springer
    Journal of statistical physics 15 (1976), S. 485-503 
    Details
    ISSN: 1572-9613
    Keywords: Lattice statistics ; eight-vertex model ; corner transfer matrices ; spontaneous magnetization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A “corner transfer matrix” (CTM) is defined for the zero-field, eight-vertex model on the square lattice. Its logarithm and its diagonal form are obtained to second order in a perturbation expansion of low-temperature type. They turn out to have a very simple form, apart from certain “remainder” contributions that can be ignored in the limit of a large lattice. It is conjectured that in this limit the operators have these simple forms for all temperatures less than the critical temperatureT c. The spontaneous magnetization can then easily be obtained, and agrees with the expression previously proposed. It is intended to prove some of the conjectures in subsequent papers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01020802
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  • 4
    Electronic Resource
    Electronic Resource
    Lattice gas generalization of the hard hexagon model. III.q-Trinomial coefficients (1987)
    Springer
    Journal of statistical physics 47 (1987), S. 297-330 
    Details
    ISSN: 1572-9613
    Keywords: Statistical mechanics ; lattice statistics ; number theory ; hard hexagon model ; Rogers-Ramanujan identities ; trinomial coefficients ; q-series
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In the first two papers in this series we considered an extension of the hard hexagon model to a solvable two-dimensional lattice gas with at most two particles per pair of adjacent sites, and we described the local densities in terms of elliptic theta functions. Here we present the mathematical theory behind our derivation of the local densities. Our work centers onq-analogs of trinomial coefficients.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01007513
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  • 5
    Electronic Resource
    Electronic Resource
    Numerical results for the three-state critical Potts model on finite rectangular lattices (1995)
    Springer
    Journal of statistical physics 78 (1995), S. 665-680 
    Details
    ISSN: 1572-9613
    Keywords: Statistical mechanics ; lattice statistics ; solvable models ; three-state Potts model ; zeros of the partition function ; conformal invariance ; modular invariance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Partition functions for the three-state critical Potts model on finite square lattices and for a variety of boundary conditions are presented. The distribution of their zeros in the complex plane of the spectral variable is examined and is compared to the expected infinite-lattice result. The partition functions are then used to test the finite-size scaling predictions of conformal and modular invariance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02183683
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  • 6
    Electronic Resource
    Electronic Resource
    Hard-square lattice gas (1980)
    Springer
    Journal of statistical physics 22 (1980), S. 465-489 
    Details
    ISSN: 1572-9613
    Keywords: Lattice statistics ; series expansions ; corner transfer matrices
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We have studied the hard-square lattice gas, using corner transfer matrices. In particular, we have obtained the first 24 terms of the high-density series for the order parameterρ 2−ρ 1. From these we estimate the critical activity to be 3.7962±0.0001. This is in excellent agreement with the earlier work of Gaunt and Fisher. It conflicts with the value 4.0 given by Müller-Hartmann and Zittartz's formula for the critical point of the antiferromagnetic Ising model in a field, so we conclude that this formula, while a good approximation, is not exact.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01012867
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  • 7
    Electronic Resource
    Electronic Resource
    A class of interaction-round-a-face models and its equivalence with an ice-type model (1987)
    Springer
    Journal of statistical physics 49 (1987), S. 1093-1115 
    Details
    ISSN: 1572-9613
    Keywords: Six-vertex, Potts, hard-hexagons, and nonintersecting string models ; “weak equivalence” ; IRF model ; magnetic hard squares ; graphical equivalence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A new model (called the Temperley-Lieb interactions model) is introduced, in two-dimensional lattice statistics, on a square lattice ℒ. The Temperley-Lieb equivalence of this model to the six-vertex, self-dual Potts, critical hard-hexagons and critical nonintersecting string models is established. A graphical equivalence of this model to the six-vertex model generalizes this equivalence to noncritical cases of the above models. The order parameters of a specialization of this model are studied.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01017562
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  • 8
    Electronic Resource
    Electronic Resource
    Hamiltonian limit of the 3D Zamolodchikov model (1990)
    Springer
    Journal of statistical physics 58 (1990), S. 411-430 
    Details
    ISSN: 1572-9613
    Keywords: Statistical mechanics ; lattice models ; transfer matrix ; Hamiltonian
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A two-dimensional quantum Hamiltonian ℋ N,M commuting with the layer-to-layer transfer matrix of the three-dimensional Zamolodchikov model is derived. This Hamiltonian is defined on a lattice ofN×M sites. The special casesN×2, 2×M, and 3×M are studied.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01112753
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  • 9
    Electronic Resource
    Electronic Resource
    Interfacial tension of the chiral Potts model (1996)
    Springer
    Journal of statistical physics 82 (1996), S. 1-29 
    Details
    ISSN: 1572-9613
    Keywords: Statistical mechanics ; lattice models ; chiral Potts model ; interfacial tension
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We calculate the interfacial tension of theN-state chiral Potts model by solving the functional relations for the transfer matrices of the model with skewed boundary conditions. Our result is valid for the general physical model (with positive Boltzmann weights) and at all subcritical temperatures. The interfacial tension has been calculated previously for the superintegrable chiral Potts model with skewed boundary conditions. UsingZ-invariance, Baxter has argued that the interfacial tension of this model should be the same as the interfacial tension of the general physical model. We show that this is indeed the case.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02189223
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  • 10
    Electronic Resource
    Electronic Resource
    Equivalence of the Two Results for the Free Energy of the Chiral Potts Model (2000)
    Springer
    Journal of statistical physics 98 (2000), S. 513-535 
    Details
    ISSN: 1572-9613
    Keywords: statistical mechanics ; lattice models ; chiral Potts model ; free energy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The free energy of the chiral Potts model has been obtained in two ways. The first used only the star-triangle relation, symmetries, and invariances, and led to a system of equations that implicitly define the free energy, and from which the critical behavior can be obtained The second used the functional relations derived by Bazhanov and Stroganov, solving them to obtain the free energy explicitly as a double integral. Here we obtain, for the first time, a direct verification that the two results are identical at all temperatures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1018621421257
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