The structure of carbon adsorbed on Ir{100}: LEED I–V analysis and benchmarking of DFT

Johnson, Karina; Ge, Qingfeng; Sauerhammer, Bjoern; Titmuss, Simon; King, David A.

doi:10.1016/s0039-6028(00)01092-x

Cited by 13 publications

(7 citation statements)

References 43 publications

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“…The comparison of adsorption energies in different adsorption sites is shown in Table . Considering the structure of the favored hollow model in detail (see Figure ), the top Ir layer shows no buckling, but the second layer buckles very slightly in our calculation by 0.01 Å (according to the earlier LEED experiment, the surface layer shows no buckling and the second layer is buckled by 0.019 ± 0.035 Å). The DFT interlayer spacing between the first and second layers ( d 12 ) is 2.00 Å, and that between the second and third layers ( d 23 ) is 1.89 Å (compared with LEED values of 1.958 ± 0.035 and 1.873 ± 0.035 Å, respectively).…”

Section: Adsorption Energies and Structural Resultssupporting

confidence: 57%

Section: Adsorption Energies and Structural Resultsmentioning

confidence: 99%

“…It has been found through experiment that a well-ordered c(2 × 2) carbon overlayer may be formed on Ir{100} by heating a benzene overlayer to 700 K; the resulting adatoms are found, by quantitative LEED analysis, to occupy hollow sites. Although DFT results reported at the time amply support this assignment, we have nevertheless repeated almost identical calculations here. We make just two changes in order to bring the new results into methodological conformity with the others reported in the present work: we utilize a slightly less dense k-point sampling but allow two Ir layers to relax instead of one.…”

Section: Adsorption Energies and Structural Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Benzene and Its Dissociation Products on Ir{100}

2008

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Benzene forms a disorded overlayer when adsorbed on unreconstructed Ir{100} at low temperatures, but is known to dissociate yielding an ordered c(2 × 4) benzyne overlayer at moderate temperatures. Predosing the surface with a low coverage of atomic carbon, however, causes the benzyne overlayer to adopt a c(4 × 4) pattern instead. Here, we investigate the structure and energetics of these overlayers by means of density functional theory calculations, rationalizing the thermodynamic imperatives that drive the transitions between these various phases.

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Section: Adsorption Energies and Structural Resultssupporting

confidence: 57%

Section: Adsorption Energies and Structural Resultsmentioning

confidence: 99%

Section: Adsorption Energies and Structural Resultsmentioning

confidence: 99%

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Benzene and Its Dissociation Products on Ir{100}

2008

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“…So far, oxygen is the only atomic adsorbate known to fully lift the (1 · 5) reconstruction, whereas C [27], CO [28,29] and NO [30] only partially lift the reconstruction.…”

Section: Introductionmentioning

confidence: 99%

The adsorption geometry of sulphur on Ir{100}: A quantitative LEED study

Lerotholi¹,

Held²,

King³

2006

Surface Science

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“…To explain the appearance of small graphene islands on Au, we must consider that 0.1 ML carbon is chemisorbed to the Ir surface, forming a carbidic c(2 × 2) structure [ 51 ]. In such a structure, C is strongly bound to the substrate, with a binding energy of almost 8 eV at a coverage of 0.5 eML Ir(100) [ 59 ]. We note, however, that Au binds strongly to other noble metal substrates.…”

Section: Reviewmentioning

confidence: 99%

Cathode lens spectromicroscopy: methodology and applications

Menteş¹,

Zamborlini²,

Sala³

et al. 2014

Beilstein J. Nanotechnol.

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SummaryThe implementation of imaging techniques with low-energy electrons at synchrotron laboratories allowed for significant advancement in the field of spectromicroscopy. The spectroscopic photoemission and low energy electron microscope, SPELEEM, is a notable example. We summarize the multitechnique capabilities of the SPELEEM instrument, reporting on the instrumental aspects and the latest developments on the technical side. We briefly review applications, which are grouped into two main scientific fields. The first one covers different aspects of graphene physics. In particular, we highlight the recent work on graphene/Ir(100). Here, SPELEEM was employed to monitor the changes in the electronic structure that occur for different film morphologies and during the intercalation of Au. The Au monolayer, which creeps under graphene from the film edges, efficiently decouples the graphene from the substrate lowering the Dirac energy from 0.42 eV to 0.1 eV. The second field combines magnetism studies at the mesoscopic length scale with self-organized systems featuring ordered nanostructures. This example highlights the possibility to monitor growth processes in real time and combine chemical characterization with X-ray magnetic circular dichroism–photoemission electron microscopy (XMCD–PEEM) magnetic imaging by using the variable photon polarization and energy available at the synchrotron source.

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The structure of carbon adsorbed on Ir{100}: LEED I–V analysis and benchmarking of DFT

Cited by 13 publications

References 43 publications

Benzene and Its Dissociation Products on Ir{100}

Benzene and Its Dissociation Products on Ir{100}

The adsorption geometry of sulphur on Ir{100}: A quantitative LEED study

Cathode lens spectromicroscopy: methodology and applications

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