Interaction of cesium adatoms with free-standing graphene and graphene-veiled SiO2 surfaces

Weck, Philippe F.; Kim, Eunja; Biedermann, Grant W.

doi:10.1039/C5RA03599F

Interaction of cesium adatoms with free-standing graphene and graphene-veiled SiO₂ surfaces

Journal Article · Tue Apr 21 00:00:00 EDT 2015 · RSC Advances

DOI:https://doi.org/10.1039/C5RA03599F· OSTI ID:1235369

Weck, Philippe F. ^[1]; Kim, Eunja ^[2]; Biedermann, Grant W. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. of Nevada, Las Vegas, NV (United States)

In this study, the interaction of Cs adatoms with mono- or bi-layered graphene (MLG and BLG), either free-standing or on a SiO₂ substrate, was investigated using density functional theory. The most stable adsorption sites for Cs are found to be hollow sites on both graphene sheets and graphene-veiled SiO₂(0001). In addition, larger dipole moments are created when a MLG-veiled SiO₂(0001) substrate is used for adsorption of Cs atoms compared to the adsorption on free-standing MLG, due to charge transfer occurring between the MLG and the SiO₂ substrate. For the adsorption of Cs on BLG-veiled SiO₂(0001) substrate, these differences are smoothed out and the binding energies corresponding to different sites are nearly degenerate; smaller dipole moments created by the Cs adatoms on BLG compared to MLG are also predicted.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1235369

Report Number(s):: SAND--2015-1385J; 567230

Journal Information:: RSC Advances, Journal Name: RSC Advances Journal Issue: 48 Vol. 5; ISSN 2046-2069; ISSN RSCACL

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited By (1)

Electric Field Cancellation on Quartz by Rb Adsorbate-Induced Negative Electron Affinity Sedlacek, J. A.; Kim, E.; Rittenhouse, S. T. Physical Review Letters, Vol. 116, Issue 13 https://doi.org/10.1103/physrevlett.116.133201	journal	March 2016

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