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NO Binding Energies to and Diffusion Barrier on Pd Obtained with Velocity-Resolved Kinetics.

Dmitriy BorodinIgor RahinovJan FingerhutMichael SchwarzerStefan HörandlGeorgios SkoulatakisDirk SchwarzerTheofanis N KitsopoulosAlec M Wodtke
Published in: The journal of physical chemistry. C, Nanomaterials and interfaces (2021)
We report nitric oxide (NO) desorption rates from Pd(111) and Pd(332) surfaces measured with velocity-resolved kinetics. The desorption rates at the surface temperatures from 620 to 800 K span more than 3 orders of magnitude, and competing processes, like dissociation, are absent. Applying transition state theory (TST) to model experimental data leads to the NO binding energy E 0 = 1.766 ± 0.024 eV and diffusion barrier D T = 0.29 ± 0.11 eV on the (111) terrace and the stabilization energy for (110)-steps ΔE ST = 0.060-0.030 +0.015 eV. These parameters provide valuable benchmarks for theory.
Keyphrases
  • nitric oxide
  • blood flow
  • dna binding
  • electronic health record
  • density functional theory
  • hydrogen peroxide
  • biofilm formation
  • nitric oxide synthase
  • deep learning
  • aqueous solution