Atom efficient PtCu bimetallic catalysts and ultra dilute alloys for the selective hydrogenation of furfural

Taylor, Martin J.; Beaumont, Simon K.; Islam, Mohammed J.; Tsatsos, Sotirios; Parlett, Christopher M. A.; Issacs, Mark A.; Kyriakou, Georgios

doi:10.1016/j.apcatb.2020.119737

Cited by 56 publications

(37 citation statements)

References 75 publications

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“…CuPd, CuPt, CuCo and CuNi bulk alloys and Ir, Rh, Ni, Pd, Pt-doped Cu single atom alloys show improved activity for furfural hydrogenation compared to their parent metals. This observation is in line with the experimental observations in Figure 4a: Cu216Pd1 single atom alloy in Ref 59 shows over two orders of magnitude higher TOF towards furfuryl alcohol than Cu and Pd on Al2O3 support; dilute CuPt alloys in Ref 60 are predicted to have more than one order of magnitude higher TOF compared to pure Cu and Pt catalyst. However, these alloy candidates have the disadvantage that they still contain expensive noble metals (Pt, Pd).…”

Section: Resultssupporting

confidence: 88%

Understanding activity trends in furfural hydrogenation on transition metal surfaces

Liu

Govindarajan

Chan

2022

Preprint

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Furfural hydrogenation to furfuryl alcohol is an industrially significant reaction for biomass valorization. The hydrogenation process has been mainly catalyzed by chromite-based materials that are notorious for their toxicity, thereby highlighting the need to find alternate catalyst materials. In addition, there is a gap in the mechanistic understanding of furfural hydrogenation on transition metal surfaces. Herein, we combine density functional theory calculations and microkinetic modeling to study the reaction mechanism of furfural hydrogenation to furfuryl alcohol on terrace (111/0001) and stepped (211) transition metal surfaces. We find the rate- determining steps for furfural hydrogenation to depend on the identity of the metal, where the strong binding metals are limited by desorption of the product (furfuryl alcohol) while the moderate and weak binding metals are limited by steps involving surface hydrogenation or H2 activation. We show that the binding energy of furfural is a good descriptor to rationalize and predict the activity trends for the production of furfuryl alcohol. Among the metal and bulk/single atom alloy surfaces investigated in this work, we find Cu-based alloys to be the most active catalysts, with CuNi alloys predicted to be promising candidates for furfural hydrogenation.

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Section: Resultssupporting

confidence: 88%

Understanding activity trends in furfural hydrogenation on transition metal surfaces

Liu

Govindarajan

Chan

2022

Preprint

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“…Assignment of peaks was based on the International Centre for Diffraction Data's (ICDD) Powder Diffraction File-2 2012 (PDF-2 2012) and Inorganic Crystal Structure databases ICSD. Using the Scherrer equation with a Gaussian fit and shape factor of 0.9, the particle sizes were estimated on the basis of the full width at half maximum (FWHM) of the platinum metallic reflection [26].…”

Section: Catalyst Characterisationmentioning

confidence: 99%

Parametric Study of Pt/C-Catalysed Hydrothermal Decarboxylation of Butyric Acid as a Potential Route for Biopropane Production

Razaq

Simons²,

Onwudili

2021

Energies

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Sustainable fuel-range hydrocarbons can be produced via the catalytic decarboxylation of biomass-derived carboxylic acids without the need for hydrogen addition. In this present study, 5 wt% platinum on carbon (Pt/C) has been found to be an effective catalyst for hydrothermally decarboxylating butyric acid in order to produce mainly propane and carbon dioxide. However, optimisation of the reaction conditions is required to minimise secondary reactions and increase hydrocarbon selectivity towards propane. To do this, reactions using the catalyst with varying parameters such as reaction temperatures, residence times, feedstock loading and bulk catalyst loading were carried out in a batch reactor. The highest yield of propane obtained was 47 wt% (close to the theoretical decarboxylation yield of 50 wt% on butyric acid basis), corresponding to a 96% hydrocarbon selectivity towards propane. The results showed that the optimum parameters to produce the highest yield of propane, from the range investigated, were 0.5 g butyric acid (0.57 M aqueous solution), 1.0 g Pt/C (50 mg Pt content) at 300 °C for 1 h. The reusability of the catalyst was also investigated, which showed little or no loss of catalytic activity after four cycles. This work has shown that Pt/C is a suitable and potentially hydrothermally stable heterogeneous catalyst for making biopropane, a major component of bioLPG, from aqueous butyric acid solutions, which can be sourced from bio-derived feedstocks via acetone-butanol-ethanol (ABE) fermentation.

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“…Therefore, as a design platform of high activity catalysts, bimetallic nanoparticles have great potential in the field of catalysis. Recently, a variety of bimetallic catalysts have been designed and applied to different types of chemical reaction, such as CO oxidation [174], hydrogenation/dehydrogenation [175][176][177], coupling reactions [178,179] and H 2 evolution reaction (HER) [180][181][182], and showed superior catalytic activity. The composition, size, and morphology of a bimetallic catalyst has a great effect on its catalytic properties.…”

Section: Heterogeneous Catalysismentioning

confidence: 99%

Bimetallic Nanocrystals: Structure, Controllable Synthesis and Applications in Catalysis, Energy and Sensing

Zhang

Luo

et al. 2021

Nanomaterials

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In recent years, bimetallic nanocrystals have attracted great interest from many researchers. Bimetallic nanocrystals are expected to exhibit improved physical and chemical properties due to the synergistic effect between the two metals, not just a combination of two monometallic properties. More importantly, the properties of bimetallic nanocrystals are significantly affected by their morphology, structure, and atomic arrangement. Reasonable regulation of these parameters of nanocrystals can effectively control their properties and enhance their practicality in a given application. This review summarizes some recent research progress in the controlled synthesis of shape, composition and structure, as well as some important applications of bimetallic nanocrystals. We first give a brief introduction to the development of bimetals, followed by the architectural diversity of bimetallic nanocrystals. The most commonly used and typical synthesis methods are also summarized, and the possible morphologies under different conditions are also discussed. Finally, we discuss the composition-dependent and shape-dependent properties of bimetals in terms of highlighting applications such as catalysis, energy conversion, gas sensing and bio-detection applications.

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Atom efficient PtCu bimetallic catalysts and ultra dilute alloys for the selective hydrogenation of furfural

Cited by 56 publications

References 75 publications

Understanding activity trends in furfural hydrogenation on transition metal surfaces

Understanding activity trends in furfural hydrogenation on transition metal surfaces

Parametric Study of Pt/C-Catalysed Hydrothermal Decarboxylation of Butyric Acid as a Potential Route for Biopropane Production

Bimetallic Nanocrystals: Structure, Controllable Synthesis and Applications in Catalysis, Energy and Sensing

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