Water dissociation on Mn(1×1)/Ag(100)
Abstract
In this work we utilize experimental and simulation techniques to examine the molecular level interaction of water with a MnO(1×1) thin film deposited onto Ag(100). The formation of MnO(1×1)/Ag(100) was characterized by low energy electron diffraction and scanning tunneling microscopy. Density functional theory (DFT) shows MnO(1×1) is thermodynamically more stable than MnO(2×1) by –0.4 eV per MnO. Upon exposure to 2.5 Torr water vapor at room temperature, X-ray photoemission spectroscopy results show extensive surface hydroxylation attributed to reactivity at MnO(1×1) terrace sites. DFT calculations of a water monomer on MnO(1×1)/Ag(100) show the dissociated form is energetically more favorable than molecular adsorption, with a hydroxylation activation barrier 0.4 eV per H2O. Lastly, these results are discussed and contrasted with previous studies of MgO/Ag(100) which show a stark difference in behavior for water dissociation.
- Authors:
-
- Univ. of Delaware, Newark, DE (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Univ. di Milano-Bicocca, Milano (Italy)
- Univ. di Torino and NIS-Nanostructured Interfaces and Surfaces-Centre of Excellence Center, Torino (Italy)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1328380
- Report Number(s):
- BNL-112689-2016-JA
Journal ID: ISSN 1463-9076; PPCPFQ; KC0403020
- Grant/Contract Number:
- SC00112704
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP (Print)
- Additional Journal Information:
- Journal Volume: 18; Journal Issue: 36; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Arble, Chris, Tong, Xiao, Giordano, Livia, Ferrari, Anna Maria, and Newberg, John T. Water dissociation on Mn(1×1)/Ag(100). United States: N. p., 2016.
Web. doi:10.1039/c6cp04115a.
Arble, Chris, Tong, Xiao, Giordano, Livia, Ferrari, Anna Maria, & Newberg, John T. Water dissociation on Mn(1×1)/Ag(100). United States. https://doi.org/10.1039/c6cp04115a
Arble, Chris, Tong, Xiao, Giordano, Livia, Ferrari, Anna Maria, and Newberg, John T. 2016.
"Water dissociation on Mn(1×1)/Ag(100)". United States. https://doi.org/10.1039/c6cp04115a. https://www.osti.gov/servlets/purl/1328380.
@article{osti_1328380,
title = {Water dissociation on Mn(1×1)/Ag(100)},
author = {Arble, Chris and Tong, Xiao and Giordano, Livia and Ferrari, Anna Maria and Newberg, John T.},
abstractNote = {In this work we utilize experimental and simulation techniques to examine the molecular level interaction of water with a MnO(1×1) thin film deposited onto Ag(100). The formation of MnO(1×1)/Ag(100) was characterized by low energy electron diffraction and scanning tunneling microscopy. Density functional theory (DFT) shows MnO(1×1) is thermodynamically more stable than MnO(2×1) by –0.4 eV per MnO. Upon exposure to 2.5 Torr water vapor at room temperature, X-ray photoemission spectroscopy results show extensive surface hydroxylation attributed to reactivity at MnO(1×1) terrace sites. DFT calculations of a water monomer on MnO(1×1)/Ag(100) show the dissociated form is energetically more favorable than molecular adsorption, with a hydroxylation activation barrier 0.4 eV per H2O. Lastly, these results are discussed and contrasted with previous studies of MgO/Ag(100) which show a stark difference in behavior for water dissociation.},
doi = {10.1039/c6cp04115a},
url = {https://www.osti.gov/biblio/1328380},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 36,
volume = 18,
place = {United States},
year = {Fri Aug 19 00:00:00 EDT 2016},
month = {Fri Aug 19 00:00:00 EDT 2016}
}
Web of Science
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