Mechanisms for carbon adsorption on Au(110)-(2 × 1): A work function analysis

Jooya, H. Z.; McKay, K. S.; Kim, E.; Weck, P. F.; Pappas, D. P.; Hite, D. A.; Sadeghpour, H. R.

doi:10.1016/j.susc.2018.07.008

Mechanisms for carbon adsorption on Au(110)-(2 × 1): A work function analysis

Journal Article · Thu Jul 19 00:00:00 EDT 2018 · Surface Science

DOI:https://doi.org/10.1016/j.susc.2018.07.008· OSTI ID:1467387

Jooya, H. Z. ^[1]; McKay, K. S. ^[2]; Kim, E. ^[3]; Weck, P. F. ^[4]; Pappas, D. P. ^[2]; ^[2]; Sadeghpour, H. R. ^[1]

Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States). Inst. for Theoretical Atomic, Molecular and Optical Physics (ITAMP)
National Inst. of Standards and Technology (NIST), Boulder, CO (United States)
Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

In this paper, the variation of the work function upon carbon adsorption on the reconstructed Au(110) surface is measured experimentally and compared to density functional calculations. The adsorption dynamics is simulated with ab-initio molecular dynamics techniques. Finally, the contribution of various energetically available adsorption sites on the deposition process is analyzed, and the work function behavior with carbon coverage is explained by the resultant electron charge density distributions.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); National Inst. of Standards and Technology (NIST), Boulder, CO (United States); Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Inst. of Standards and Technology (NIST) (United States); National Science Foundation (NSF) (United States)

Grant/Contract Number:: NA0003525

OSTI ID:: 1467387

Alternate ID(s):: OSTI ID: 1682388

Report Number(s):: SAND--2018-4463J; 662566

Journal Information:: Surface Science, Journal Name: Surface Science Vol. 677; ISSN 0039-6028

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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