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

Dmitriy Borodin; Igor Rahinov; Jan Fingerhut; Michael Schwarzer; Stefan Hörandl; Georgios Skoulatakis; Dirk Schwarzer; Theofanis N. Kitsopoulos; Alec M. Wodtke

doi:10.1021/acs.jpcc.1c02965

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

Dmitriy Borodin, Igor Rahinov, Jan Fingerhut, Michael Schwarzer, Stefan Hörandl, Georgios Skoulatakis, Dirk Schwarzer, Theofanis N. Kitsopoulos, Alec M. Wodtke

Chemistry discipline

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Abstract

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 E0 = 1.766 ± 0.024 eV and diffusion barrier DT = 0.29 ± 0.11 eV on the (111) terrace and the stabilization energy for (110)-steps ΔEST = 0.060-0.030+0.015 eV. These parameters provide valuable benchmarks for theory.

Original language	English
Pages (from-to)	11773-11781
Number of pages	9
Journal	Journal of Physical Chemistry C
Volume	125
Issue number	21
DOIs	https://doi.org/10.1021/acs.jpcc.1c02965
State	Published - 3 Jun 2021

Bibliographical note

Funding Information:
D.B. thanks the BENCh graduate school, funded by the DFG (389479699/GRK2455). I.R. gratefully acknowledges the support by Israel Science Foundation, ISF (grant no. 2187/19), and by the Open University of Israel Research Authority (grant no. 31044). T.N.K., G.S., M.S., and J.F. acknowledge support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. [833404]).

Publisher Copyright:
© 2021 The Authors. Published by American Chemical Society.

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title = "NO Binding Energies to and Diffusion Barrier on Pd Obtained with Velocity-Resolved Kinetics",

abstract = "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 E0 = 1.766 ± 0.024 eV and diffusion barrier DT = 0.29 ± 0.11 eV on the (111) terrace and the stabilization energy for (110)-steps ΔEST = 0.060-0.030+0.015 eV. These parameters provide valuable benchmarks for theory. ",

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T1 - NO Binding Energies to and Diffusion Barrier on Pd Obtained with Velocity-Resolved Kinetics

AU - Borodin, Dmitriy

AU - Rahinov, Igor

AU - Fingerhut, Jan

AU - Schwarzer, Michael

AU - Hörandl, Stefan

AU - Skoulatakis, Georgios

AU - Schwarzer, Dirk

AU - Kitsopoulos, Theofanis N.

AU - Wodtke, Alec M.

PY - 2021/6/3

Y1 - 2021/6/3

N2 - 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 E0 = 1.766 ± 0.024 eV and diffusion barrier DT = 0.29 ± 0.11 eV on the (111) terrace and the stabilization energy for (110)-steps ΔEST = 0.060-0.030+0.015 eV. These parameters provide valuable benchmarks for theory.

AB - 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 E0 = 1.766 ± 0.024 eV and diffusion barrier DT = 0.29 ± 0.11 eV on the (111) terrace and the stabilization energy for (110)-steps ΔEST = 0.060-0.030+0.015 eV. These parameters provide valuable benchmarks for theory.

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

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