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Terrace site hydroxylation upon water dimer formation on monolayer NiO/Ag(100)

Journal Article · · Thin Solid Films
 [1];  [2];  [3];  [1];  [4]
  1. Univ. of Delaware, Newark, DE (United States). Dept. of Chemistry and Biochemistry
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
  3. Univ. di Milano-Bicocca, Milano (Italy). Dipt. di Scienza dei Materiali
  4. Univ. of Torino (Italy). Dipt. o di Chimica IFM, NIS-Nanostructured Interfaces and Surfaces-Centre
+ Show Author Affiliations

The interaction of water vapor with monolayer NiO/Ag(100) was examined using both experimental and computational techniques. Initial film growth was characterized by scanning tunneling microscopy and low energy electron diffraction showing the formation of NiO(1×1). X-ray photoelectron spectroscopy (XPS) reveals that the initial film was mainly composed of NiO oxide with a small amount of hydroxyl groups (OH) attributed to the dissociation of background water vapor at highly reactive edge sites. Density functional theory (DFT) reveals that the adsorption of a water monomer on NiO/Ag(100) terrace sites prefers to be in the molecular rather than the dissociate state. XPS results indicate that upon exposing the oxide film to high water vapor pressures (maximum 333.3 Pa), extensive hydroxylation occurs which is attributed to water dissociation at terrace sites. DFT reveals that upon aggregation of water monomers to dimers at the oxide interface the dissociated dimer is energetically stable. The results herein are consistent with previous MgO/Ag(100) studies, further revealing that for certain metal oxides the formation of water dimers at the metal oxide-vapor interface is a key mechanism leading to extensive terrace site hydroxylation.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
SC0012704
OSTI ID:
1480970
Alternate ID(s):
OSTI ID: 1564526
OSTI ID: 22792826
Report Number(s):
BNL--209338-2018-JAAM
Journal Information:
Thin Solid Films, Journal Name: Thin Solid Films Journal Issue: C Vol. 660; ISSN 0040-6090
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (1)

2D oxides on metal materials: concepts, status, and perspectives journal January 2019

Figures / Tables (10)

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Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
Density functional theory
Monolayer
Nickel oxide
Water dissociation
X-ray photoelectron spectroscopy