• Infrared Spectroscopy (IRS)

  - Used infrared spectroscopy to probe the structure of CO molecules adsorbed on small metal particles (1 to 10 nm).

  - Developed a model relating the coordination number of surface metal atoms and the coupling of adsorbed CO molecules to th fine structure in the infrared spectrum of adsorbed CO.

• Molecular Modeling

  -Created a graphics program to create, rotate, translate, save and modify model extended-single crystal structures, small single-crystal particles, defect structures, and adsorbate structures and display atoms in these structures as ray-traced spheres.

• Controlling IR Spectrometers

  -Developed a program to operate (via serial port) a grating infrared spectrometer, collect, save, load, display and manipulate infrared spectral data.

• Computer interface to Lab Equipment

  -Designed and implemented a program to interface an IBM-compatible PC to an IR spectrometer, a mass spectrometer, ion gauges and thermocouple devices.

• Mass Spectroscopy

  - Used quadrupole mass spectrometers to monitor the residual gases in UHV system

  - recorded data from specific mass peaks during desorption experiments

• Monte-Carlo (MC)

  - determined equilibrium geometric arrangement of adsorbates on metal surfaces using several different interaction potentials

• Auger Electron Spectroscopy (AES)

  - measured surface contamination of Ti foil and CU(110) samples.

• X-ray Photoelectron Spectroscopy (XPS)

  - monitored surface contamination of Ti foil and CU(110) samples during cleaning process

• Angle-Resolved, X-ray Photoelectronb Spectroscopy (ARXPS)

  - investigated the effects of forward focussing of scattered electrons by measuring the Cu 3p signal for [100] and [110] crystal directions of a Cu(110) crystal.

• Low Energy Electron Diffraction (LEED)

  - monitored the Cu(110) surface during cleaning and annealing cycles, oriented crystal for ARXPS studies, and observed maxima in I-V curcves.

• Crystallography

  - generated specific lattice types, lattice sums and lattice mappings

• Linear Combinations of Atomic Orbitals (LCAO)

  - coded algorithms and performed computations using Extended Hückel, and SCF w -technique methods using Slater-type orbitals

• Electron Diffraction

  - developed algorithms to model the diffraction of electrons from a surface structure using single scattering

  - modeled electron diffraction by laser simulation

• Diffusion

  - modeled the diffusion of CO gas through pressed silica samples using differential equations with Fourier series solutions

• Adsorption

  - modeled the adsorption of CO gas using a statistical-mechanical description of the adsorption process

• Computer Representation of Phyical Models

  - developed algorithms to perform ray tracing on metallic and insulating materials, to shade the surfaces of 3-d representations of data and functions, and to shade ball-models of molecules and surface structures.

• Curve Fitting

  - developed algorithms used to fit Lorentzian and Gaussian curves to experimental data.

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