Lattice-gas modeling of CO adlayers on Pd(100)
1Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011, USA.
Abstract:
Using a lattice-gas model with pairwise interactions, we study the ordered structures, coverage dependence of the heat of adsorption, and other experimentally observable behavior of adsorbed CO overlayers on Pd(100) single crystal surfaces. Transfer matrix and Monte Carlo methods give accurate information regarding the lattice-gas model that often contradicts simple mean-field-like analysis. We demonstrate the usefulness of the model by reproducing experimental results over a large range of pressures and temperatures.
More Related Videos
06:49Radio Frequency Magnetron Sputtering of GdBa2Cu3O7âˆ'ÃŽ ´/ La0.67Sr0.33MnO3 Quasi-bilayer Films on SrTiO3 STO Single-crystal Substrates
Published on: April 12, 2019
13:58Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Related Concept Videos
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
Trends in Lattice Energy: Ion Size and Charge
Lattice Centering and Coordination Number
Types of Unit Cells
Imagine taking a large number of identical...
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Bewley Lattice Diagram
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
