Adsorption of carbon monoxide on Pd(311) and (211) surfaces

Zhang, Jing; Zhang, Xuena; Wang, Zexin; Diao, Zhaoyu

doi:10.1016/j.apsusc.2008.03.063

Cited by 5 publications

(11 citation statements)

References 16 publications

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“…The hollow fcc site of the step (f s ) has no shift on the A-type step, whereas the shift is negative on the B-type step. We therefore conclude that CO adsorbs at f s step sites on the B-type Pd(332) surface and, as previously observed, , at b s sites on the A-type Pd(335).…”

supporting

confidence: 88%

“…The hollow fcc site of the step (f s ) has no shift on the A-type step, whereas the shift is negative on the Btype step. We therefore conclude that CO adsorbs at f s step sites on the B-type Pd(332) surface and, as previously observed, 37,38 at b s sites on the A-type Pd(335). At a higher CO dose, terrace f t and b t peaks emerge, leading to major changes in the C 1s features of Figure 3a,b. A minimal three-peak (f t , b t , and step) fit is thus required, which can reliably be done thanks to the curved surface systematics.…”

supporting

confidence: 88%

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Reduced Carbon Monoxide Saturation Coverage on Vicinal Palladium Surfaces: the Importance of the Adsorption Site

García-Martínez

Dietze

Schiller

et al. 2021

J. Phys. Chem. Lett.

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Steps at metal surfaces may influence energetics and kinetics of catalytic reactions in unexpected ways. Here, we report a significant reduction of the CO saturation coverage in Pd vicinal surfaces, which in turn is relevant for the light-off of the CO oxidation reaction. The study is based on a systematic investigation of CO adsorption on vicinal Pd(111) surfaces making use of a curved Pd crystal. A combined X-ray Photoelectron Spectroscopy and DFT analysis allows us to demonstrate that an entire row of atomic sites under Pd steps remains free of CO upon saturation at 300 K, leading to a step-density-dependent reduction of CO coverage that correlates with the observed decrease of the light-off temperature during CO oxidation in vicinal Pd surfaces.

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supporting

confidence: 88%

supporting

confidence: 88%

Reduced Carbon Monoxide Saturation Coverage on Vicinal Palladium Surfaces: the Importance of the Adsorption Site

García-Martínez

Dietze

Schiller

et al. 2021

J. Phys. Chem. Lett.

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“…In this paper, we construct the extended LEPS by three pair‐potential functions as such: one is a Morse function employed for the gaseous diatom and the 5‐MP is used for the other two. 5‐MP has been explicated in the literature . Here, stating briefly as follows: on the assumption that the metal cluster is frozen, the interaction energy

U (\overset{⇀}{R})

as the 5‐MP between an atom (which coordinate is specified by

\overset{R}{true}

) and the whole metal surface cluster can be written in the form of a Morse potential:

U (\vec{R}) = D \sum_{i = 1}^{C l u s t e r} (\frac{h_{i} + Q_{1}}{R_{i} + Q_{2}}) \{\exp [- 2 β (R_{i} - R_{0})] - 2 \exp [- β (R_{i} - R_{0})]\}

…”

Section: The Extended Leps Constructed By 5‐mp and Cluster Modelsmentioning

confidence: 99%

“…In Eqn , there are five adjustable parameters: D , β , R , Q 1 and Q 2 have been described in detail in the literature . The five adjustable parameters of the C–Pd and O–Pd are obtained and listed in Table .…”

Section: The Extended Leps Constructed By 5‐mp and Cluster Modelsmentioning

confidence: 99%

“…In this work, we attempt to reveal the adsorption dynamics characters of CO on Pd(s)‐[n(100)×(110)] stepped surfaces by using a theoretical method. Based on our previous study of adsorption and diffusion of CO molecules on Pd low‐index and (110) missing row reconstruction surfaces, and adsorption of CO on Pd (311) and (211) stepped surfaces, this work makes further investigation of the adsorption of CO on Pd (210) and (510) stepped surfaces with the extended LEPS.…”

Section: Introductionmentioning

confidence: 99%

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Adsorption of carbon monoxide on Pd (210) and (510) surfaces

Zhang

Wang

2012

Surface & Interface Analysis

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Adsorption of carbon monoxide on Pd (210) and (510) stepped surfaces has been investigated by the extended London-Eyring-Polyani-Sato method constructed using a five-parameter Morse potential. Pd (210) and (510) stepped surfaces consist of terrace with (100) structure and step with (110) character. These results show that there exist common characteristics of CO adsorption on these two surfaces. At low coverage, CO adsorbs in twofold bridge site of the (100) terrace. The critical characteristics inherit that of CO molecule adsorbed in twofold bridge site of (100) original surface. When the coverage is increased, the top site of (110) step is occupied. The critical characteristics resemble that of CO molecule adsorbed in top site of (110) original surface. A number of new sites are exposed on the boundary regions, for example, the fivefold hollow site (H) of these two surfaces. There are stable adsorption sites at high coverage. Because of the different length of the (100) terrace, the (210) and (510) stepped surfaces have some different characteristics. First, CO is tilted adsorption on bridge site of terrace of (210), but perpendicular on terrace of (510) surface. Second, the bridge site (B 1 ) where one Pd atom at the top of the step and the other at the bottom of the step is a stable adsorption site on (210), but the same type of site on Pd (510) surface is not.

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