Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface

Kamal, C. ; Stenberg, Nader ; Walle, Lars Erik ; Ragazzon, Davide ; Borg, Anne ; Uvdal, Per LU ; Skorodumova, Natalia V. ; Odelius, Michael and Sandell, Anders (2021) In Physical Review Letters 126(1).
Abstract

Using x-ray photoelectron spectroscopy of the oxygen 1s core level, the ratio between intact (D2O) and dissociated (OD) water in the hydrated stoichiometric TiO2(110) surface is determined at varying coverage and temperature. In the submonolayer regime, both the D2O:OD ratio and the core-level binding energy of D2O (ΔBE) decrease with temperature. The observed variations in ΔBE are shown with density functional theory to be governed crucially and solely by the local hydrogen bonding environment, revealing a generally applicable classification and details about adsorption motifs.

Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review Letters
volume
126
issue
1
article number
016102
publisher
American Physical Society
external identifiers
  • scopus:85099169382
  • pmid:33480765
ISSN
0031-9007
DOI
10.1103/PhysRevLett.126.016102
language
English
LU publication?
yes
id
6956e96b-5c58-4b89-b122-0debea938c71
date added to LUP
2021-01-19 12:57:27
date last changed
2024-04-18 00:35:31
@article{6956e96b-5c58-4b89-b122-0debea938c71,
  abstract     = {{<p>Using x-ray photoelectron spectroscopy of the oxygen 1s core level, the ratio between intact (D2O) and dissociated (OD) water in the hydrated stoichiometric TiO2(110) surface is determined at varying coverage and temperature. In the submonolayer regime, both the D2O:OD ratio and the core-level binding energy of D2O (ΔBE) decrease with temperature. The observed variations in ΔBE are shown with density functional theory to be governed crucially and solely by the local hydrogen bonding environment, revealing a generally applicable classification and details about adsorption motifs.</p>}},
  author       = {{Kamal, C. and Stenberg, Nader and Walle, Lars Erik and Ragazzon, Davide and Borg, Anne and Uvdal, Per and Skorodumova, Natalia V. and Odelius, Michael and Sandell, Anders}},
  issn         = {{0031-9007}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review Letters}},
  title        = {{Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface}},
  url          = {{http://dx.doi.org/10.1103/PhysRevLett.126.016102}},
  doi          = {{10.1103/PhysRevLett.126.016102}},
  volume       = {{126}},
  year         = {{2021}},
}