Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation

Walen, Holly; Liu, Da-Jiang; Oh, Junepyo; Yang, Hyun Jin; Spurgeon, Peter M.; Kim, Yousoo; Thiel, Patricia A.

doi:10.1021/acs.jpcb.7b07046

Title: Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation

Journal Article · Tue Aug 22 00:00:00 EDT 2017 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI:https://doi.org/10.1021/acs.jpcb.7b07046· OSTI ID:1394812

Walen, Holly ^[1];

^[2]; Oh, Junepyo ^[3]; Yang, Hyun Jin ^[3]; Spurgeon, Peter M. ^[4];

^[3];

^[5]

Iowa State Univ., Ames, IA (United States). Dept. of Chemistry; RIKEN Surface and Interface Science Lab., Saitama (Japan)
Ames Lab., Ames, IA (United States)
RIKEN Surface and Interface Science Lab., Saitama (Japan)
Iowa State Univ., Ames, IA (United States). Dept. of Chemistry
Iowa State Univ., Ames, IA (United States). Dept. of Chemistry, Dept. of Materials Science and Engineering; Ames Lab., Ames, IA (United States)

By using scanning tunneling microscopy, we characterize the size and bias-dependent shape of sulfur atoms on Cu(100) at low coverage (below 0.1 monolayers) and low temperature (quenched from 300 to 5 K). Sulfur atoms populate the Cu(100) terraces more heavily than steps at low coverage, but as coverage approaches 0.1 monolayers, close-packed step edges become fully populated, with sulfur atoms occupying sites on top of the step. Density functional theory (DFT) corroborates the preferential population of terraces at low coverage as well as the step adsorption site. In experiment, small regions with p(2 × 2)-like atomic arrangements emerge on the terraces as sulfur coverage approaches 0.1 monolayer. Using DFT, a lattice gas model has been developed, and Monte Carlo simulations based on this model have been compared with the observed terrace configurations. A model containing eight pairwise interaction energies, all repulsive, gives qualitative agreement. Experiment shows that atomic adsorbed sulfur is the only species on Cu(100) up to a coverage of 0.09 monolayers. There are no Cu–S complexes. Conversely, prior work has shown that a Cu₂S₃ complex forms on Cu(111) under comparable conditions. On the basis of DFT, this difference can be attributed mainly to stronger adsorption of sulfur on Cu(100) as compared with Cu(111).

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC02-07CH11358; AC02-05CH11231

OSTI ID:: 1394812

Report Number(s):: IS-J-9377

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Vol. 122, Issue 2; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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