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

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5 Scopus citations

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
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Energy (all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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10.1021/acs.jpcc.1c02965

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@article{bde70d78be3847ff90baaeaf7e754264,

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.",

author = "Dmitriy Borodin and Igor Rahinov and Jan Fingerhut and Michael Schwarzer and Stefan H{\"o}randl and Georgios Skoulatakis and Dirk Schwarzer and Kitsopoulos, {Theofanis N.} and Wodtke, {Alec M.}",

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{\textquoteright}s Horizon 2020 research and innovation programme (grant agreement no. [833404]). Publisher Copyright: {\textcopyright} 2021 The Authors. Published by American Chemical Society.",

year = "2021",

month = jun,

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doi = "10.1021/acs.jpcc.1c02965",

language = "English",

volume = "125",

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publisher = "American Chemical Society",

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TY - JOUR

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.

N1 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=85108089481&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.1c02965

DO - 10.1021/acs.jpcc.1c02965

M3 - Article

AN - SCOPUS:85108089481

SN - 1932-7447

VL - 125

SP - 11773

EP - 11781

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 21

ER -

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

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