Structure determination of adsorbed hydrogen on a real catalyst

Parker, Stewart F.; Bowron, Daniel T.; Imberti, Silvia; Soper, A. K.; Refson, Keith; Lox, E.S.; Lopez, Marco; Albers, Peter

doi:10.1039/c001779e

Cited by 21 publications

(27 citation statements)

References 31 publications

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“…Such information is of upmost importance fort he computational description of reaction mechanisms. Although neutrons cattering has been extensively used to study the interactions of hydrogen-containing speciesw ithb ulk metallic materials, such as Raney nickel,R aney palladium, palladium black, and platinum black, [15][16][17][18][19] many catalysts of practical interest consist of an activem etal (typically an oblem etal) depositedo nas upport. These supported-metal catalysts aim to expose as many active sites as possible;t hus reducing the cost of the catalyst.…”

Section: Hydrogen Adsorption and Spillovermentioning

confidence: 99%

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

et al. 2018

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In heterogeneous catalysis, hydrides on the surface or in the bulk play a critical role as either active components or reaction intermediates in many hydrogen‐involving reactions, but characterization of the nature and structure of these hydride species remains challenging. Neutron scattering, which is extremely sensitive to light elements, such as hydrogen, has shown great potential in meeting this challenge. In this Minireview, recent advances in neutron studies of hydride species, mainly over the two most typical classes of catalysts—metals and oxides—are surveyed. Findings on catalysts outside these categories are raised if they are considered to be relevant for contextualization in the present Minireview. The adsorption, dissociation, spillover, and reactivity of hydrogen, especially hydride species over supported metal and oxide catalysts, have been successfully investigated, mostly by means of neutron vibrational spectroscopy. Insights from these neutron studies, which are otherwise not possible with other techniques, shed light on the interaction mechanism of hydrogen with solid surfaces and reaction mechanisms in which hydrogen is involved. Future research challenges on neutron scattering studies of hydrides, as well as catalysis in general, are also highlighted, and more operando‐type neutron studies need be conducted to advance the field.

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Section: Hydrogen Adsorption and Spillovermentioning

confidence: 99%

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

et al. 2018

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“…Neutron News gen covered surface as shown by INS spectroscopy [5], Figure 3 (solid line). The spectrum is similar to that obtained earlier by other investigators, although more structure is evident because of the better resolution of TOSCA at ISIS as compared to the instruments used previously.…”

Section: Scientifi C Reviewsmentioning

confidence: 98%

“…No ordinate scaling has been applied; all the distances come directly from the ab initio calculation. Reproduced from [5] with permission from the Royal Society of Chemistry.…”

Section: Scientifi C Reviewsmentioning

confidence: 99%

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Catalysts, neutrons and calculations

Parker

2012

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“…We have recently shown that it is possible to obtain structural information about adsorbates on real catalysts at ambient temperature and pressure by total scattering neutron diffraction [10]. The aim of this paper was to obtain a structural characterization of formate bonded to a real catalyst surface by chemisorption of formic acid on Raney TM Cu.…”

Section: Introductionmentioning

confidence: 99%

The reaction of formic acid with Raney ^TM copper

et al. 2016

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The interaction of formic acid with Raney TM Cu proves to be complex. Rather than the expected generation of a monolayer of bidentate formate, we find the formation of a Cu(II) compound. This process occurs by direct reaction of copper and formic acid; in contrast, previous methods are by solution reaction. This is a rare example of formic acid acting as an oxidant rather than, as more commonly found, a reductant. The combination of diffraction, spectroscopic and computational methods has allowed this unexpected process to be characterized.

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Structure determination of adsorbed hydrogen on a real catalyst

Cited by 21 publications

References 31 publications

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

Catalysts, neutrons and calculations

The reaction of formic acid with Raney ^TM copper

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Structure determination of adsorbed hydrogen on a real catalyst

Cited by 21 publications

References 31 publications

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

Catalysts, neutrons and calculations

The reaction of formic acid with Raney TM copper

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Product

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The reaction of formic acid with Raney ^TM copper