282 citations · 464 across the 10 of their papers we have counts for
10 papers
A Comprehensive Study of Hydrogen Adsorbing to Amorphous Water-Ice: Defining Adsorption in Classical Molecular Dynamics
John L. Dupuy, Steven P. Lewis, P. C. Stancil
Gas-grain and gas-phase reactions dominate the formation of molecules in the interstellar medium (ISM). Gas-grain reactions require a substrate (e.g. a dust or ice grain) on which…
Revisiting the (110) Surface Structure of TiO2: A Detailed Theoretical Analysis
Scott J. Thompson, Steven P. Lewis
A detailed reexamination of the (110) surface structure of rutile TiO2 has been carried out using first-principles total-energy methods. This investigation is in response to a rece…
Controlling adsorbate vibrational lifetimes using superlattices
Steven P. Lewis, Andrew M. Rappe
We propose using short-period superlattices as substrates to control the vibrational relaxation dynamics of adsorbate overlayers. The mass modulation of superlattices creates both…
Adsorbate aggregation and relaxation of low-frequency vibrations
M. V. Pykhtin, Andrew M. Rappe, Steven P. Lewis
We present a study of resonant vibrational coupling between adsorbates and an elastic substrate at low macroscopic coverages. In the first part of the paper we consider the situati…
First Principles Study of Carbon Monoxide Adsorption on Zirconia-Supported Copper
Eric J. Walter, Steven P. Lewis, Andrew M. Rappe
We have calculated the adsorption energy of carbon monoxide on a monolayer of copper adsorbed on the (111) face of cubic zirconia. We investigate the structural parameters of three…
Structure and Vibrations of the Vicinal Copper (211) Surface
C. Y. Wei, Steven P. Lewis, E. J. Mele +1
We report a first principles theoretical study of the surface relaxation and lattice dynamics of the Cu(211) surface using the plane wave pseudopotential method. We find large atom…