Mechanism and Dynamics of the CO-Induced Lifting of the Pt(100) Surface Reconstruction

Beurden, van P Paul; Bunnik, BS Bouke; Kramer, GJ Gert Jan; Borg, A.

doi:10.1103/physrevlett.90.066106

Cited by 32 publications

(36 citation statements)

References 28 publications

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“…The details are discussed more in depth in a companion paper, 40 but it is worth noting that we find a similar nonlinear CO-coverage dependence of the restructuring rate as observed experimentally. 15 In addition, by varying the simulation temperature, an effective activation energy of 0.4 eV for the restructuring process could be estimated.…”

Section: B Co-induced Restructuring Of Ptˆ100‰ Hexsupporting

confidence: 78%

Atomistic potential for adsorbate/surface systems: CO on Pt

et al. 2002

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An atomistic interaction potential for adsorbate/surface systems is presented, based on the modified embedded-atom method ͑MEAM͒ and applied to CO on Pt. All parameters are determined using both densityfunctional theory ͑DFT͒ calculations, as well as the necessary experimental data. Whereas current DFT implementations suffer from problems in predicting the correct adsorption site of CO on Pt͕111͖, the current MEAM potential quantitatively describes the adsorption energies on the Pt ͕100͖ and ͕111͖ surfaces. With this potential, one is able to model, amongst others, diffusional properties and the CO induced lifting of the Pt͕100͖-hex surface reconstruction.

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Section: B Co-induced Restructuring Of Ptˆ100‰ Hexsupporting

confidence: 78%

Atomistic potential for adsorbate/surface systems: CO on Pt

et al. 2002

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“…[36][37][38][39][40] This is surely due to a charge transfer from the surface into the adsorbed species that reverses the mechanism, electronic in origin, that triggers reconstruction. On the other hand, there are experimental 41 and theoretical 42 evidences that point that Au(100) reconstructed areas have a "magic width," a multiple of five substrate atom rows (14.4Å), the width of the reconstruction fringes of Fig.…”

Section: Discussionmentioning

confidence: 99%

Electronic structure of reconstructed Au(100): Two-dimensional and one-dimensional surface states

et al. 2012

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The clean surface of Au(100) presents a complex reconstruction characterized by a hexagonal topmost layer. We report an angle-resolved photoemission study of the electronic structure of this surface, including an analysis of the Fermi surface, combined with structural information from low-energy electron diffraction and scanning tunneling microscopy. In the complex Fermi surface map found, we identify different contributions from the bulk bands, from interface states located below the hexagonal topmost layer, and from the hexagonal topmost layer itself. The electronic states related to this layer exhibit quasi-one-dimensional character, in agreement with the chain aspect of the reconstructed layer, as demonstrated by their dispersion, periodicity, and reciprocal space location.

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“…This can be understood because this surface reconstructs in the so-called (5 · 1) structure which is highly complex [21]. However, under adsorption of CO for example, this reconstruction can be reversed to the (1 · 1) bulk termination [22]. Desorption can then be conducted in order to keep the (1 · 1) structure as a metastable state.…”

Section: Introductionmentioning

confidence: 98%