English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Adsorption and absorption energies of hydrogen with palladium

Schwarzer, M., Hertl, N., Nitz, F., Borodin, D., Fingerhut, J., Kitsopoulos, T. N., et al. (2022). Adsorption and absorption energies of hydrogen with palladium. The Journal of Physical Chemistry C, 126(34), 14500-14508. doi:10.1021/acs.jpcc.2c04567.

Item is

Files

show Files
hide Files
:
acs.jpcc.2c04567.pdf (Publisher version), 4MB
Name:
acs.jpcc.2c04567.pdf
Description:
-
OA-Status:
Hybrid
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
-
Copyright Info:
-

Locators

show

Creators

show
hide
 Creators:
Schwarzer, M., Author
Hertl, N.1, Author           
Nitz, F., Author
Borodin, D.1, Author                 
Fingerhut, J., Author
Kitsopoulos, T. N.1, Author                 
Wodtke, A. M.1, Author                 
Affiliations:
1Department of Dynamics at Surfaces, Max Planck Institute for Multidisciplinary Sciences, Max Planck Society, ou_3350158              

Content

show
hide
Free keywords: Adsorption, Diffusion, Hydrogen, Kinetic parameters, Recombination
 Abstract: Thermal recombinative desorption rates of HD on Pd(111) and Pd(332) are reported from transient kinetic experiments performed between 523 and 1023 K. A detailed kinetic model accurately describes the competition between recombination of surface-adsorbed hydrogen and deuterium atoms and their diffusion into the bulk. By fitting the model to observed rates, we derive the dissociative adsorption energies (E0, adsH2 = 0.98 eV; E0, adsD2 = 1.00 eV; E0, adsHD = 0.99 eV) as well as the classical dissociative binding energy ϵads = 1.02 ± 0.03 eV, which provides a benchmark for electronic structure theory. In a similar way, we obtain the classical energy required to move an H or D atom from the surface to the bulk (ϵsb = 0.46 ± 0.01 eV) and the isotope specific energies, E0, sbH = 0.41 eV and E0, sbD = 0.43 eV. Detailed insights into the process of transient bulk diffusion are obtained from kinetic Monte Carlo simulations.

Details

show
hide
Language(s): eng - English
 Dates: 2022-06-302022-08-192022-09-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.jpcc.2c04567
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: The Journal of Physical Chemistry C
  Abbreviation : J. Phys. Chem. C
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 126 (34) Sequence Number: - Start / End Page: 14500 - 14508 Identifier: ISSN: 1932-7447
CoNE: https://pure.mpg.de/cone/journals/resource/954926947766