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

C. Kamal; Nader Stenberg; Lars Erik Walle; Davide Ragazzon; Anne Borg; Per Uvdal; Natalia V. Skorodumova; Michael Odelius; Anders Sandell

doi:10.1103/PhysRevLett.126.016102

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

C. Kamal, Nader Stenberg, Lars Erik Walle, Davide Ragazzon, Anne Borg, Per Uvdal, Natalia V. Skorodumova, Michael Odelius, Anders Sandell

Chemical Physics

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Article number	016102
Journal	Physical Review Letters
Volume	126
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevLett.126.016102
Publication status	Published - 2021

Subject classification (UKÄ)

Condensed Matter Physics (including Material Physics, Nano Physics)

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10.1103/PhysRevLett.126.016102

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

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.",

author = "C. Kamal and Nader Stenberg and Walle, {Lars Erik} and Davide Ragazzon and Anne Borg and Per Uvdal and Skorodumova, {Natalia V.} and Michael Odelius and Anders Sandell",

year = "2021",

doi = "10.1103/PhysRevLett.126.016102",

language = "English",

volume = "126",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "1",

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T1 - Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface

AU - Kamal, C.

AU - Stenberg, Nader

AU - Walle, Lars Erik

AU - Ragazzon, Davide

AU - Borg, Anne

AU - Uvdal, Per

AU - Skorodumova, Natalia V.

AU - Odelius, Michael

AU - Sandell, Anders

PY - 2021

Y1 - 2021

N2 - 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.

AB - 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.

U2 - 10.1103/PhysRevLett.126.016102

DO - 10.1103/PhysRevLett.126.016102

M3 - Article

C2 - 33480765

AN - SCOPUS:85099169382

SN - 0031-9007

VL - 126

JO - Physical Review Letters

JF - Physical Review Letters

IS - 1

M1 - 016102

ER -

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

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