SIMS study of the interaction of methanol with clean Cu(100)

Karolewski, M.A.; Cavell, Ronald G.

doi:10.1016/0039-6028(95)00803-9

Cited by 13 publications

(6 citation statements)

References 29 publications

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“…The observation that the positions of the strong ν CO depletion features in cluster−CD 3 OH and cluster−CD 3 OD complexes are shifted approximately 5 cm -1 with respect to one another (just as with gas-phase CD 3 OH and CD 3 OD) verifies that methanol adsorbs intact on Cu n , Ag n , and Au n , analogous to the reversible molecular chemisorption of methanol observed on the corresponding clean single-crystal surfaces. ,,,− The observation of the weak methyl bending modes in Ag n (CD 3 OH) m and Ag n (CD 3 OD) m complexes confirms the assignment. In contrast, methanol and other aliphatic alcohols have been found to react readily with oxygen-precovered surfaces of Cu, Ag, and Au to form surface-adsorbed methoxy, formate, or other species. ,,− ,− …”

Section: Discussionmentioning

confidence: 77%

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Knickelbein

Koretsky

1998

J. Phys. Chem. A

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Methanol (Me) adsorbs intact on copper, silver, and gold clusters at 70 K to form the complexes Cu n Me m , Ag n Me m , and Au n Me m , respectively. The infrared photodissociation spectra of the deuterium-substituted complexes M n (CD 3 OH) m and M n (CD 3 OD) m (M n ) Cu 3-11 , Ag 3-22 , and Au 3-13 ) have been recorded in the 9-11 µm region. The methanol C-O stretching band frequency is invariant with cluster size and depends only slightly on the metal of which the underlying cluster is composed, indicating that local interactions are responsible for the shift from the gas-phase value and that these interactions are similar for methanol adsorbed on clusters of all three metals. Progressive blue shifts of the depletion bands of Ag n Me m and Au n Me m with increasing m indicate a strong interaction among methanol ligands in these species.

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Section: Discussionmentioning

confidence: 77%

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Knickelbein

Koretsky

1998

J. Phys. Chem. A

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“…1,2 Moreover, methanol is one of the most important synthetic chemicals. In order to fully clarify the catalysis mechanism for the decomposition and synthesis, there have appeared a large number of publications concerning reaction of methanol with various pure metal surfaces, such as Ni(100), 3,4 Ni(110), 5 Ni(111), 6,7 Cu(100), [8][9][10][11] Cu(110), [12][13][14][15] Cu(111), [16][17][18][19] Ag(110), 20,21 Ag(111), 22 Au(110), 23 Pd(110), 24,25 Pd(111), [26][27][28][29][30][31][32][33][34][35][36][37] Pd(100), 38 Pt(100), 39 Pt(110), 40 Pt(111), 30,[41][42][43] Rh(111), [44][45][46] Rh(100), 47 Rh(110), 48 and Al(111). 49,…”

Section: Introductionmentioning

confidence: 99%

“…Methanol steam re-forming based on the decomposition has been suggested as an efficient way to generate hydrogen in the context of fuel-cell technology. , Moreover, methanol is one of the most important synthetic chemicals. In order to fully clarify the catalysis mechanism for the decomposition and synthesis, there have appeared a large number of publications concerning reaction of methanol with various pure metal surfaces, such as Ni(100), , Ni(110), Ni(111), , Cu(100), − Cu(110), − Cu(111), − Ag(110), , Ag(111), Au(110), Pd(110), , Pd(111), − Pd(100), Pt(100), Pt(110), Pt(111), ,− Rh(111), − Rh(100), Rh(110), and Al(111). , These investigations have demonstrated that the low-temperature surface chemistry of methanol depends on both the metal substrates and on the temperatures of adsorption.…”

Section: Introductionmentioning

confidence: 99%

Density Functional Investigation of Methanol Dehydrogenation on Pd(111)

et al. 2009

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Methanol dehydrogenation to CO and H on Pd(111) is systematically investigated using self-consistent periodic density functional theory (DFT). All possible intermediates involved are calculated. Methanol and formaldehyde adsorb weakly on the Pd(111) surface because they are saturated molecules. CO and H prefer 3-fold sites with the adsorption energies of 41.6 and 64.4 kcal/mol. CH 3 O binds stably at 3-fold and bridge sites. Most of the other intermediates are inclined to adsorb to the surface with the sp 3 configuration of the carbon atom and a hydroxyl-like configuration for O, i.e., top (η 1 -C) for CH 2 OH, bridge (η 2 -C) for CHOH, 3-fold (η 3 -C) for COH, bridge (η 1 -C-η 1 -O) for CH 2 O, and 3-fold (η 2 -C-η 1 -O) for CHO. All possible dehydrogenation pathways are calculated and four different routes via initial O-H and C-H bond scissions are found. The theoretical calculations indicate the initial C-H bond scission is more favorable for methanol decomposition, while O-H bond scission is preferable to C-H bond scission for CH 2 OH and CHOH, and the most possible dehydrogenation pathway on Pd(111) thus takes place via CH 3 OH f CH 2 OH f CH 2 O f CHO f CO.

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“…Over the last three decades, methanol adsorption and decomposition have been investigated theoretically and experimentally on transition and noble metal surfaces such as Ni(100), Ni(111), Cu(100), Cu(111), Ag(111), Ag (100), Pd(111), Ru(001), Pt(111), Pt(100), Mo(100) and Mo 2 C(001) with or without preadsorbed oxygen. For these surfaces, a number of experimental studies on this system have been performed with several techniques including temperature‐programmed desorption (TPD/TPRS), high‐resolution electron energy loss spectroscopy, X‐ray photoelectron spectroscopy, ultraviolet photoemission spectroscopy, near‐edge X‐ray adsorption fine structure, low‐energy electron diffraction, Auger electron spectroscopy, Fourier transform infrared spectroscopy (FTIR) and molecular beam techniques.…”

Section: Introductionmentioning

confidence: 99%

Density functional theory (DFT) investigation of the adsorption of the CH₃OH/Au(100) system

N’dollo

Moussounda

Dintzer

et al. 2013

Surface & Interface Analysis

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The adsorption of methanol on flat Au (100) surface with different coverages (θ = 1.0, 0.5 and 0.25 monolayer (ML)) is studied using density functional theory. Among the three sites (top, bridge and hollow) and coverages investigated in the present work, no adsorption is stable for θ = 1.0 ML. The most energetically preferred site of adsorption for CH 3 OH is found to be the hollow site for coverages of 0.25 ML and 0.50 ML. We also find that for all adsorption sites, an increase in CH 3 OH coverage triggers a decrease in the adsorption energy. The geometric parameters, local density of states and work function changes are analysed in detail. The coadsorption of methoxy and hydrogen has also investigated. In addition, the dissociation of methanol on Au(100) has been studied, and an activation energy was found to be 1.72 eV. This result compare with existing data in the literature for Au(111) surface.

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SIMS study of the interaction of methanol with clean Cu(100)

Cited by 13 publications

References 29 publications

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Density Functional Investigation of Methanol Dehydrogenation on Pd(111)

Density functional theory (DFT) investigation of the adsorption of the CH₃OH/Au(100) system

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SIMS study of the interaction of methanol with clean Cu(100)

Cited by 13 publications

References 29 publications

Infrared Studies of the Interaction of Methanol with Cun, Agn, and Aun

Infrared Studies of the Interaction of Methanol with Cun, Agn, and Aun

Density Functional Investigation of Methanol Dehydrogenation on Pd(111)

Density functional theory (DFT) investigation of the adsorption of the CH3OH/Au(100) system

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Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Density functional theory (DFT) investigation of the adsorption of the CH₃OH/Au(100) system