CO2 adsorption and reaction on Fe(111): An angle resolved photoemission (ARUPS) study

Freund, H.‐J.; Behner, H.; Bartoś, B.; Wedler, G.; Kuhlenbeck, Helmut; Neumann, M.

doi:10.1016/0039-6028(87)90225-1

Cited by 103 publications

(29 citation statements)

References 14 publications

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“…It also showed that CO 2 adsorbs dissociatively on clean Mo(1 0 0) [52] and polycrystalline Mo [53] at the lower temperature. It was believed that on Ni(1 1 0), Ni(1 0 0) and Fe(1 1 1) the chemisorbed CO dÀ 2 anionic species represents an intrinsic precursor for CO 2 dissociation into CO and atomic oxygen [54,55]. Nassir and Dwyer [56] found that CO 2 is strongly chemisorbed on For CH 3 , the top, bridge and 3-fold hollow adsorption sites are considered.…”

Section: Resultsmentioning

confidence: 99%

Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001)

et al. 2006

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Section: Resultsmentioning

confidence: 99%

Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001)

et al. 2006

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“…It can be considered that at a low pressure of 0.005 MPa, the amount of iron carbonate and/or bicarbonate is insufficient to lengthen service life, and the surface layers are removed easily by rubbing, causing high friction. In this case, adsorbed CO 2 molecules on the metallic iron surface dissociate to form CO species [24,25]. Since the amount of CO 2 is small, the oxidation of metallic iron may be incomplete.…”

Section: Xps Analysismentioning

confidence: 97%

“…This difference can be explained by the serious chemical wear of the surface layer, which is deleterious for low friction and wear [2], and causes the exposure of the underlying metallic iron. In this case, ferrous oxide also can be formed by the dissociation of chemisorbed CO 2 molecules on the metallic iron surface [24,25]. The resultant oxide reacts with CO 2 molecules to produce iron carbonate.…”

Section: Xps Analysismentioning

confidence: 98%

Tribological Behaviors of 52100 Steel in Carbon Dioxide Atmosphere

Peng

Nanao

et al. 2004

Tribology Letters

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The tribological behavior of 52100 steel in a carbon dioxide (CO 2 ) atmosphere was investigated using a reciprocating ballon-disk tribometer. X-ray photoelectron spectroscopy (XPS) was used to identify the adsorbed surface layers and tribochemical products. We found that CO 2 can substantially reduce friction and wear of the steel. Adsorbed and reacted surface layers containing iron carbonate and/or bicarbonate play an important role in reducing friction. A disk, exposed once to CO 2 atmosphere, also shows a low friction for a long time even in a vacuum environment. An optimum CO 2 pressure exists for effectively reducing friction and wear. A low-pressure CO 2 atmosphere is insufficient to produce iron carbonate. In contrast, high pressure engenders serious chemical wear.

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“…Bent CO2 as a precursor to dissociation has also been reported between 160-180 K 25 and at 130 K 26 on Fe (111). Hess et al 26 , using high resolution electron loss spectroscopy (HREELS) studies, observed a weakly bound unstable linear CO2 mode and two stable bent CO2 modes on the (111) facet.…”

Section: Introductionmentioning

confidence: 98%

CO₂ activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study

Kwawu

Tia

Adei

et al. 2017

Phys. Chem. Chem. Phys.

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We have used spin polarized density functional theory calculations to perform extensive mechanistic studies of CO2 dissociation into CO and O on the clean Fe (100), (110) and (111) surfaces and on the same surfaces coated by a monolayer of nickel. CO2 chemisorbs on all three bare facets and binds more strongly to the stepped (111) surface than on the open flat (100) and close-packed (110) surfaces, with adsorption energies of -88.7 kJmol -1 , -70.8 kJmol -1 and -116.8 kJmol -1 on the (100), (110) and (111) (110) and (111) facets respectively. We have also investigated the thermodynamics and activation energies for CO2 dissociation into CO and O on the bare and Ni-deposited surfaces.Generally, we found that the dissociative adsorption states are thermodynamically preferred over molecular adsorption, with the dissociation most favoured thermodynamically on the closepacked (110) facet. The trends in activation energy barriers were observed to follow that of the trends in surface work functions; consequently, the increased surface work functions observed on the Ni-deposited surfaces resulted in increased dissociation barriers and vice versa. These results suggest that measures to lower the surface work function will kinetically promote the dissociation of CO2 to CO and O, although the instability of the activated CO2 on the Ni-covered 2 surfaces will probably result in CO2 desorption from the nickel-doped iron surfaces, as is also seen on the Fe(110) surface. Graphical abstract Introduction

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CO2 adsorption and reaction on Fe(111): An angle resolved photoemission (ARUPS) study

Cited by 103 publications

References 14 publications

Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001)

Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001)

Tribological Behaviors of 52100 Steel in Carbon Dioxide Atmosphere

CO₂ activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study

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CO2 adsorption and reaction on Fe(111): An angle resolved photoemission (ARUPS) study

Cited by 103 publications

References 14 publications

Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001)

Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001)

Tribological Behaviors of 52100 Steel in Carbon Dioxide Atmosphere

CO2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study

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CO₂ activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study