Center for Sustainable Energy at Notre Dame

schneider

William Schneider2

Capabilities

First Principles Simulations

  • Structures and thermodynamics
  • Reaction rates
  • Reaction dynamics

Catalytic and Environmental Reaction Simulation

  • Environmental effects on surface kinetics
  • Fundamentals of surface catalytic reactions

 Structures and Thermodynamics

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Reaction rates

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Reaction dynamics

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Current Energy Research

Specific areas of research:

  • Ionic liquids for CO2 capture
  • Catalytic NO oxidation
  • Water gas shift
  • Catalytic NO reduction
  • Perovskite catalysis

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Potential SEI Research

Collaboration on sight-specific/homogeneous energy-related catalysis