Ethylene adsorption on regularly stepped copper surface: C2H4 on Cu(210)

Yamazaki, Daichi; Okada, Michio; Franco, Francisco C.; Kasai, Toshio

doi:10.1016/j.susc.2011.02.010

Cited by 16 publications

(30 citation statements)

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“…The π−σ parameter of ethylene on Cu(410) at 0.3 L is 0.22, whereas on Cu(210) at 0.5 L it is 0.24. 6 Note in passing that π−σ parameter of ethylene on Pd(100) and Ru(100) is 0.78 and 0.74, respectively, where ethylene is dehydrogenated. 10,38 The position and width (full-width-half-maximum, fwhm) of the features are plotted in Figure 3b and c, respectively, in comparison with the data of Cu(210).…”

Section: Resultsmentioning

confidence: 99%

“…Studies of C 2 H 4 adsorption on Ag(210) and Ag(410), based on supersonic molecular beam technique, have demonstrated that the sticking probability, measured with the King and Wells technique, is increased on stepped surfaces compared to flat surface, while the achievable maximum coverage is rather independent of the density of steps. 4,5 In this paper, we present the results of the experimental and computational investigation on adsorption of ethylene on Cu(410) and compare them to those obtained on other Cu single crystal surfaces, for example, Cu(210), 6 in order to discuss the effect of step sites on reactivity.…”

Section: Introductionmentioning

confidence: 99%

“…This suggests that it may be possible to modify or control the reactivity of a Cu surface with step sites. To examine the differences between two types of stepped Cu surfaces, Cu(410) and Cu(210), 6 we investigated ethylene adsorbed on Cu(410), which consists of regular steps and narrow terraces (see Figure 1), with IRAS, temperatureprogrammed desorption (TPD), and density-functional-theory (DFT) calculations.…”

Section: Introductionmentioning

confidence: 99%

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Adsorption of C₂H₄ on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

2014

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Adsorption of ethylene (C2H4) on stepped Cu(410) surface was investigated with infrared reflection–absorption spectroscopy, temperature-programmed desorption, and density functional theory calculations. At 93 K, ethylene adsorbs molecularly on Cu(410) and forms three different π-bonded species, all of which desorb below 230 K. Even though this finding straightforwardly suggests that the three species correspond to ethylene adsorbed at the step-edge and at the two different terrace atoms, a more detailed analysis reveals this is not the case. Instead, the origin of the three species stems from the interplay between (i) strong preference of ethylene to adsorb at the step-edge, (ii) significant intermolecular repulsion between the ethylene adsorbed at the adjacent step-edge sites, and (iii) the random adsorption on the terrace sites. Recent experimental studies have suggested that ethylene is dehydrogenated on Cu(410) due to the open step-edges (Kravchuk et al. J. Phys. Chem. C 2009, 113, 20881). The present data confirm the occurrence of dehydrogenation but not the formation of a di-σ-bonded ethylene.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Adsorption of C₂H₄ on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

2014

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“…We can perform Fourier-transform infrared (FTIR) spectroscopy, quadrupole mass spectroscopy (QMS), Auger electron spectroscopy (AES), and low-energy electron diffraction (LEED) analyses within the same UHV chamber. One can find a schematic diagram of the apparatus in ref .…”

Section: Experimental Methodologymentioning

confidence: 99%

CH₃Cl/Cu(410): Interaction and Adsorption Geometry

et al. 2018

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The Rochow process is the most common technology used to prepare organosilicon compounds on an industrial scale, and yet the mechanism is still not well understood. It involves the reaction of methyl chloride (CH3Cl) with silicon, catalyzed by copper. To understand the elementary steps of the reaction involved, we studied the molecular adsorption of CH3Cl/Cu(410) at 100 K and its complete desorption at higher temperatures, 100 K < T D < 200 K. Temperature-programmed desorption (TPD) spectra show two CH3Cl desorption peaks. We attribute the low temperature TPD peak (T D ≈ 120 K) to CH3Cl desorbing from both step-edges and terraces and the high temperature TPD peak (T D ≈ 160 K) to CH3Cl desorbing from the step-edges. Infrared reflection–absorption spectra (IRAS) indicate that at low CH3Cl coverage (Θ = 0.06 ML), CH3Cl adsorbs with its molecular axis (Cl–C bond) aligned either parallel or perpendicular to [001]. At high CH3Cl coverage (Θ ≥ 0.09 ML), CH3Cl adsorbs with its molecular axis aligned perpendicular to [001].

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“…The interactions of ethylene with different copper surfaces have been investigated with a long history [10,11]. Various experimental methods, such as X-ray absorption (XAS) and emission (XES) spectroscopies, temperature programmed desorption (TPD), high resolu-tion electron energy loss spectra (HREELS), and infrared reflection-adsorption spectroscopy (IRAS), are adopted to characterize the adsorption configuration, electronic structure, and chemical reactivity of ethylene on Cu(111), Cu(100), Cu(110), and Cu(210) surfaces [10][11][12][13]. On these surfaces, the π-bonded ethylene adsorption configuration at top site is identified at low temperature.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of adsorption and dehydrogenation of C2H4 on Cu(410)

Sun

Zhang

et al. 2018

Chinese Journal of Chemical Physics

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Adsorption and dehydrogenation of ethylene on Cu(410) surface are investigated with firstprinciples calculations and micro-kinetics analysis. Ethylene dehydrogenation is found to start from the most stable π-bonded state instead of the previously proposed di-σ-bonded state. Our vibrational frequencies calculations verify the π-bonded adsorption at step sites at low coverage and low surface temperature and di-σ-bonded ethylene on C−C dimer (C 2 H 4-CC) is proposed to be the species contributing to the vibrational peaks experimentally observed at high coverage at 193 K. The presence of C 2 H 4-CC indicates that the dehydrogenation of ethylene on Cu(410) can proceed at temperature as low as 193 K.

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Ethylene adsorption on regularly stepped copper surface: C2H4 on Cu(210)

Cited by 16 publications

References 37 publications

Adsorption of C₂H₄ on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

Adsorption of C₂H₄ on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

CH₃Cl/Cu(410): Interaction and Adsorption Geometry

Theoretical study of adsorption and dehydrogenation of C2H4 on Cu(410)

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Ethylene adsorption on regularly stepped copper surface: C2H4 on Cu(210)

Cited by 16 publications

References 37 publications

Adsorption of C2H4 on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

Adsorption of C2H4 on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

CH3Cl/Cu(410): Interaction and Adsorption Geometry

Theoretical study of adsorption and dehydrogenation of C2H4 on Cu(410)

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Product

Resources

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Adsorption of C₂H₄ on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

Adsorption of C₂H₄ on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study

CH₃Cl/Cu(410): Interaction and Adsorption Geometry