Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)
Abstract
Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range and is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.
- Authors:
-
- Stony Brook Univ., Stony Brook, NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Stony Brook Univ., Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1409642
- Alternate Identifier(s):
- OSTI ID: 1397477
- Report Number(s):
- BNL-114697-2017-JA
Journal ID: ISSN 0039-6028; R&D Project: CO007; KC0301050
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Surface Science
- Additional Journal Information:
- Journal Volume: 658; Journal Issue: C; Journal ID: ISSN 0039-6028
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Palladium; Carbon monoxide; Low energy electron diffraction (LEED); Temperature programmed desorption (TPD); Density functional theory (DFT); Antiphase domain boundary
Citation Formats
Xu, Pan, Liu, Shizhong, Hong, Sung -Young, Liu, Ping, White, Michael G., and Camillone, III, Nicholas. Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111). United States: N. p., 2016.
Web. doi:10.1016/j.susc.2016.12.004.
Xu, Pan, Liu, Shizhong, Hong, Sung -Young, Liu, Ping, White, Michael G., & Camillone, III, Nicholas. Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111). United States. https://doi.org/10.1016/j.susc.2016.12.004
Xu, Pan, Liu, Shizhong, Hong, Sung -Young, Liu, Ping, White, Michael G., and Camillone, III, Nicholas. Sat .
"Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)". United States. https://doi.org/10.1016/j.susc.2016.12.004. https://www.osti.gov/servlets/purl/1409642.
@article{osti_1409642,
title = {Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)},
author = {Xu, Pan and Liu, Shizhong and Hong, Sung -Young and Liu, Ping and White, Michael G. and Camillone, III, Nicholas},
abstractNote = {Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range and is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.},
doi = {10.1016/j.susc.2016.12.004},
journal = {Surface Science},
number = C,
volume = 658,
place = {United States},
year = {Sat Dec 31 00:00:00 EST 2016},
month = {Sat Dec 31 00:00:00 EST 2016}
}
Web of Science