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Title: Enhancing Dissociative Adsorption of Water on Cu(111) via Chemisorbed Oxygen

Abstract

We have used X-ray photoelectron spectroscopy to study the dehydrogenation of H 2O molecules on the clean and oxygenated Cu(111) surfaces. The clean surface does not show reactivity toward H 2O dehydrogenation. By contrast, H 2O molecules on the oxygenated Cu(111) dissociate into OH species by reacting with chemisorbed oxygen until the complete consumption of the chemisorbed oxygen at which the surface loses its reactivity toward H 2O dehydrogenation. Increasing the temperature to 200 °C and above decreases molecularly adsorbed H 2O for dehydrogenation, thereby resulting in less loss of chemisorbed O. In conjunction with density-functional theory calculations, a three-step reaction pathway is proposed to account for the chemisorbed O assisted dehydrogenation of H 2O molecules and the net loss of surface oxygen. Finally, these results provide insight into understanding the elemental steps of the dehydrogenation of H 2O molecules and the controllable conditions for tuning H 2O dissociation on metal surfaces.

Authors:
 [1];  [2];  [3]; ORCiD logo [1]
  1. State Univ. of New York, Binghamton, NY (United States). Dept. of Mechanical Engineering & Materials Science and Engineering Program
  2. State Univ. of New York, Binghamton, NY (United States). Dept. of Physics, Applied Physics and Astronomy & Materials Science and Engineering Program
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1438301
Report Number(s):
BNL-205656-2018-JAAM
Journal ID: ISSN 1932-7447; TRN: US1900415
Grant/Contract Number:  
SC0012704; CMMI- 1056611; CBET-1264940
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 22; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Liu, Qianqian, Li, Jonathan, Tong, Xiao, and Zhou, Guangwen. Enhancing Dissociative Adsorption of Water on Cu(111) via Chemisorbed Oxygen. United States: N. p., 2017. Web. doi:10.1021/acs.jpcc.6b12897.
Liu, Qianqian, Li, Jonathan, Tong, Xiao, & Zhou, Guangwen. Enhancing Dissociative Adsorption of Water on Cu(111) via Chemisorbed Oxygen. United States. doi:10.1021/acs.jpcc.6b12897.
Liu, Qianqian, Li, Jonathan, Tong, Xiao, and Zhou, Guangwen. Tue . "Enhancing Dissociative Adsorption of Water on Cu(111) via Chemisorbed Oxygen". United States. doi:10.1021/acs.jpcc.6b12897. https://www.osti.gov/servlets/purl/1438301.
@article{osti_1438301,
title = {Enhancing Dissociative Adsorption of Water on Cu(111) via Chemisorbed Oxygen},
author = {Liu, Qianqian and Li, Jonathan and Tong, Xiao and Zhou, Guangwen},
abstractNote = {We have used X-ray photoelectron spectroscopy to study the dehydrogenation of H2O molecules on the clean and oxygenated Cu(111) surfaces. The clean surface does not show reactivity toward H2O dehydrogenation. By contrast, H2O molecules on the oxygenated Cu(111) dissociate into OH species by reacting with chemisorbed oxygen until the complete consumption of the chemisorbed oxygen at which the surface loses its reactivity toward H2O dehydrogenation. Increasing the temperature to 200 °C and above decreases molecularly adsorbed H2O for dehydrogenation, thereby resulting in less loss of chemisorbed O. In conjunction with density-functional theory calculations, a three-step reaction pathway is proposed to account for the chemisorbed O assisted dehydrogenation of H2O molecules and the net loss of surface oxygen. Finally, these results provide insight into understanding the elemental steps of the dehydrogenation of H2O molecules and the controllable conditions for tuning H2O dissociation on metal surfaces.},
doi = {10.1021/acs.jpcc.6b12897},
journal = {Journal of Physical Chemistry. C},
number = 22,
volume = 121,
place = {United States},
year = {2017},
month = {5}
}

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Figures / Tables:

Table 1 Table 1: Binding energies (eV) of O (1s) and OH spectra at the steady state from the H2O exposure of the oxygenated Cu(111)

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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.