The adsorption and decomposition of formic acid on Cu {110}

Bowker, Michael; Rowbotham, E.; Leibsle, F.M.; Haq, S.

doi:10.1016/0039-6028(95)01069-6

Cited by 110 publications

(106 citation statements)

References 25 publications

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“…2 with a precursor state parameter of 0.13 Fig. 6 Formic acid sticking probability dependence of uptake on Cu(110), for 0.25 monolayers of preadsorbed atomic oxygen, at a variety of crystal temperatures [20,23]. Note the independence of S upon uptake at 300 K up to *90 % of the maximum uptake shown in Fig.…”

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

“…First of all let us consider the reaction between pre-adsorbed oxygen atoms (the base) and gas phase formic acid. The sticking probability of formic acid is low, at *0.1 [20,21], but upon pre-adsorption of oxygen atoms the reaction probability is very high at 0.82 (see Fig. 6) [20,22].…”

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

“…Thus a second formic acid molecule can react with the OH formed from the primary reaction, before a hydrogen atom is liberated from the formate by decomposition. However, at the higher temperatures, in contrast, the formate decomposition is fast and so H atoms from it react with OH before another formic acid molecule does [20,23].…”

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

“…The sticking probability of formic acid is low, at *0.1 [20,21], but upon pre-adsorption of oxygen atoms the reaction probability is very high at 0.82 (see Fig. 6) [20,22]. This is because it is more difficult for the formic acid to dissociate on the clean surface sites, but the oxygen atoms are able to strip off the acidic hydrogen to produce adsorbed formate in the following way, much more efficiently, via a physisorbed formic acid molecule:…”

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

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The role of precursor states in adsorption, surface reactions and catalysis

Bowker¹

2010

J. Phys.: Condens. Matter

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Among the many concepts which have been developed in surface science and catalysis to explain the nature of adsorption, the role of weakly-held states, socalled precursor states, is one of the most important. The kinetics of precursor-mediated adsorption is described, together with examples showing how significant such effects can be, not just in adsorption itself, but also in surface reactions on crystals and on model supported catalysts. These examples include CO adsorption on Pd single crystals and catalysts and implications for CO oxidation, and extreme examples of the precursor effect, where adsorbate molecules can appear to 'seek out' active sites which are in very low concentration on the surface. The decomposition and oxidation of formic acid is just such an example. Such reactivity patterns then also lead to concepts such as the collection zone' or 'diffusion circle' describing how much of an area of surface is 'swept' by incoming weakly-held molecules during their brief sojourn there.

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Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

Section: Mobile Precursors Results In Increased Surfacementioning

confidence: 99%

See 2 more Smart Citations

The role of precursor states in adsorption, surface reactions and catalysis

Bowker¹

2010

J. Phys.: Condens. Matter

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“…At elevated temperatures ͑300-450°C͒, formate molecules are chemically adsorbed on the Cu surface by dehydrogenation ͑on a clean surface͒ or the release of water ͑on an oxygenprecovered surface͒ of the formic acid. [7][8][9][10] To determine the formate adsorption structures, several experimental methods have been used: 7,[11][12][13][14][15] near-edge x-ray-absorption fine structure ͑NEXAFS͒ spectroscopy, surface-extended x-rayabsorption fine structure ͑SEXAFS͒ spectroscopy, lowenergy electron diffraction ͑LEED͒, Auger electron spectroscopy, temperature-programed desorption, scanning tunneling microscopy ͑STM͒, reflection-absorption infrared spectroscopy, and in situ infrared reflection-absorption spectroscopy.…”

Section: Previous Experimental Resultsmentioning

confidence: 99%

Density-functional theory study on the arrangement of adsorbed formate molecules on Cu(110)

2007

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The interaction of formate molecules with the Cu͑110͒ surface is investigated using density-functional theory calculations. We find that in the most stable structures for low and high coverage, the formate molecules are sitting perpendicular to the Cu͑110͒ surface, and they are adsorbed in a bridge position, i.e., the O u C u O group forms a bridge between two Cu atoms. Other tested configurations are less stable by at least 0.45 eV per formate molecule. In the case of an oxygen-precovered Cu͑110͒ surface with high formate coverage ͓two molecules in a ͑2 ϫ 2͒ unit cell͔ we find a very similar adsorption geometry. We find an attractive interaction between adsorbed formate molecules on the copper surface. Our results are consistent with experimental results by scanning tunneling microscopy and photoelectron diffraction.

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Atomic‐Level Studies of Molecular Self‐Assembly on Metallic Surfaces

Tomba¹,

Ciacchi²,

Vita³

2009

Advanced Materials

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Shrinking devices to the nanoscale, while still maintaining accurate control on their structure and functionality is one of the major technological challenges of our era. The use of purposely directed self‐assembly processes provides a smart alternative to the troublesome manipulation and positioning of nanometer‐sized objects piece by piece. Here, we report on a series of recent works where the in‐depth study of appropriately chosen model systems addresses the two key‐points in self‐assembly: building blocks selection and control of bonding. We focus in particular on hydrogen bonding because of the stability, precision and yet flexibility of nanostructures based on this interaction. Complementing experimental information with advanced atomistic modeling techniques based on quantum formalisms is a key feature of most investigations. We thus highlight the role of theoretical modeling while we follow the progression in the use of more and more complex molecular building blocks, or “tectons”. In particular, we will see that the use of three‐dimensional, flexible tectons promises to be a powerful way to achieve highly sophisticated functional nanostructures. However, the increasing complexity of the assembly units used makes it generally more difficult to control the supramolecular organization and predict the assembling mechanisms. This creates a case for developing novel analysis methods and ever more advanced modeling techniques.

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The adsorption and decomposition of formic acid on Cu {110}

Cited by 110 publications

References 25 publications

The role of precursor states in adsorption, surface reactions and catalysis

The role of precursor states in adsorption, surface reactions and catalysis

Density-functional theory study on the arrangement of adsorbed formate molecules on Cu(110)

Atomic‐Level Studies of Molecular Self‐Assembly on Metallic Surfaces

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