A study of the kinetics of the interactions of O2 and N2O with a Cu(111) surface and of the reaction of CO with adsorbed oxygen using aes, LEED and ellipsometry

Habraken, F.H.P.M.; Kieffer, E.Ph.; Bootsma, G.A.

doi:10.1016/0039-6028(79)90479-5

Cited by 221 publications

(54 citation statements)

References 30 publications

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“…A similar conclusion can be drawn from the ellipsometric measurements. The data reported here are comparable with those obtained from the O&u(l 11) system [12]. There, the second stage was characterised by an increase in 6A, while S$ and the oxygen Auger signal remained constant, indicating oxygen uptake beneath the surface [12].…”

Section: Discussionsupporting

confidence: 87%

“…This behaviour has also been * In this paper the term "monolayer" indicates a surface concentration of 1.1 X 1015 oxygen atoms cm" Independent of whether they are chemisorbed or incorporated into the SUIface. found on the (111) surface [12]. No disturbing influence due to hot filaments was detected in these experiments.…”

Section: The High Exposure Region (Stages B and C)supporting

confidence: 48%

“…This is in agreement with the reversible character of the initial interaction previously observed by Ertl [lo] for Cu(ll0) and in ref. [12] for Cu(ll1).…”

Section: Discussionmentioning

confidence: 99%

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The adsorption and incorporation of oxygen on Cu(110) and its reaction with carbon monoxide

et al. 1979

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The initial interaction of oxygen with a Cu(ll0) surface occurs in two stages, character&d by (2 X 1) and ~$6 X 2) overlayer structures and then a third stage where the cf6 X 2) structure remains but further oxygen uptake is registered only with e~psometry. The fust stage is nonactivated and is accornp~~~ by a work function increase of 370-420 meV, depending on sample temperature. The subsequent appearance of the extra features associated with the c(6 X 2) structure in the second stage is accompanied by a decrease in work function of -100 meV and is characterised by an apparent activation energy of -18 M mol-r . The adsorbed oxygen can be removed at all coverages by gas-phase CO. The reaction appears to foHOw Langmuir-Hiishelwood kinetics with an apparent activation energy of -25 M mol-' . fntroductionThe interaction of oxygen with the (110) surface of copper results in the initial formation of a (2 X 1) surface structure which is assumed to correspond to 0.5 monolayers [l--4]. Further oxygen exposure produces a ~(6 X 2) structure f5]. The first stage of the interaction is known to be accompanied by an increase in work function. Thus Ertl and Kiippers [6] have reported an increase of 0.2 eV after an exposure of 6 L and Delchar f7] a m~~urn increase of 0.67 eV after 2 X 10" L at room temperature. Delchar established that a change of 0.40 eV had already been reached after about 100 L. On the (100) surface a similar reaction sequence has been observed. The formation of the initial (u/z X 42) R45" structure is accompanied by an increase in the work function as might be expected, but the formation of the subsequent (d2 X 242) R4.5" structure by a decrease [8,9]. This has been 285

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Section: Discussionsupporting

confidence: 87%

Section: The High Exposure Region (Stages B and C)supporting

confidence: 48%

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The adsorption and incorporation of oxygen on Cu(110) and its reaction with carbon monoxide

et al. 1979

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“…The bond length of oxygen molecule at the TS is 1.67 Å . From the literature, the calculated barrier at the coverage of ML is 0.2 eV with respect to the IS and 2.6 eV with respect to the FS [28], and the experimental value varies in the range of 0.07-0.17 eV [29]. Since the stronger repulsion between neighboring O 2 at higher coverage would result in a higher barrier, our results agree well with previous calculations and experiments.…”

Section: Resultssupporting

confidence: 90%

Force reversed method for locating transition states

Sun

Zhao

et al. 2012

Theor Chem Acc

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To identify the transition state accurately and efficiently on a high-dimensional potential energy surface is one of the most important topics in kinetic studies on chemical reactions. We present here an algorithm to search the transition state by so-called force reversed method, which only requires a rough reaction direction instead of knowing the initial state and final state. Compared to the nudged elastic band method and the dimer method that require multiple images, the present algorithm with only single image required saves significantly the computational cost. The algorithm was implemented in the first-principle periodic total energy calculation package and applied successfully to several prototype surface processes such as the adsorbate diffusion and dissociation on metal surfaces. The results indicate that the force reversed method is efficient, robust to identify the transition state of various surface processes.

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“…We thus obtain as the activation energy for the suggested rate-limiting step CO,d + Gad -+ CO*? a value of 19 kcaI/mol, which is equal to that for Cu(ll1) (18-20 kcal/mol [ 121). The absolute values for the overall reaction probabilities also appear to be equal (- (3-4) X IO-', 250°C, 0 = 0.25).…”

Section: The Oxidation Of Co By Preadsorbed Oxygenmentioning

confidence: 63%

The kinetics of the interactions of O2 and N20 with a Cu(110) surface and of the reaction of CO with adsorbed oxygen studied by means of ellipsometry, AES and LEED

1979

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Ellipsometry, LEED and Auger electron spectroscopy have been used to study the interactions of Oa and NzO with a clean annealed Cu(ll0) surface and the reaction of CO with adsorbed oxygen in the monolayer range. Gas pressures were in the range 1O-8-1O-4 Torr and crystal temperatures varied between 23-4OO'C. The changes in the ellipsometric angles A and $I per oxygen atom upon adsorption and removal of oxygen depend on the coverage 0, the temperature and on the azimuth of the plane of incidence of the light beam. The kinetics of the chemisorption of oxygen is independent of the crystal temperature, initial sticking probabiiity ~0.2. The LEED data and the adsorption kinetics indicate an attractive interaction in the adsorbed layer in the [OOl] direction. The initial decomposition probabi~~y of NaO at room temperature is 0.15 and decreases with increasing temperature; the maximum coverage is 0.5 monolayer. The LEED patterns observed were the same as those with 0s. The reaction probability of CO with adsorbed oxygen increases with decreasing oxygen coverage (order of mag nitude -1O-5, apparent activation energy -6 kcaI/mol). This increase has been attributed to the operation of the Langmuir-Hinshelwood mechanism.

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A study of the kinetics of the interactions of O2 and N2O with a Cu(111) surface and of the reaction of CO with adsorbed oxygen using aes, LEED and ellipsometry

Cited by 221 publications

References 30 publications

The adsorption and incorporation of oxygen on Cu(110) and its reaction with carbon monoxide

The adsorption and incorporation of oxygen on Cu(110) and its reaction with carbon monoxide

Force reversed method for locating transition states

The kinetics of the interactions of O2 and N20 with a Cu(110) surface and of the reaction of CO with adsorbed oxygen studied by means of ellipsometry, AES and LEED

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