Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting

Qureshi, Muhammad; Garcia‐Esparza, Angel T.; Jeantelot, Gabriel; Ould‐Chikh, Samy; Aguilar‐Tapia, Antonio; Hazemann, Jean‐Louis; Basset, Jean‐Marie; Loffreda, David; Bahers, Tangui Le; Takanabe, Kazuhiro

doi:10.1016/j.jcat.2019.06.045

Cited by 75 publications

(47 citation statements)

References 67 publications

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“…Typically, the position of the Pt 0 –CO band is noted in the range 2050–2090 cm −1 ; 28,29 the shift of this band may indicate a small size of the Pt particles or even the presence of a metal in a cluster form 29–31 . It can also be a result of electronic interaction between platinum and a Ce‐containing support 28,32 . The band at 2170 cm −1 in the 0.1% Pt/CZ spectrum and at 2173 cm −1 in the 0.025% Pt/CZ spectrum refers to superposition of CO adsorbed on Ce 4+ and Zr 4+ centers of the support 33, 34 .…”

Section: Resultsmentioning

confidence: 99%

Heterogeneous additive‐free highly selective synthesis of 2,5‐bis(hydroxymethyl)furan over catalysts with ultra‐low Pt content

Виканова

Chernova

Редина

et al. 2021

J of Chemical Tech & Biotech

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Ultra‐low‐loaded supported Pt catalysts showed an extremely high activity in selective hydrogenation of bioavailable 5‐hydroxymethylfurfural (5‐HMF) to the corresponding diol, i.e. 2,5‐bis(hydroxymethyl)furan (BHMF); among the synthesized catalysts with a Pt content varying in the range 0.025–0.25 wt%, the most active one appeared to be the sample 0.1% Pt/CeO2–ZrO2, which allows us to obtain BHMF with a 97% yield and 100% selectivity from 5‐HMF without the use of alkali or any other additives at a temperature of 170 °C and H2 pressure of 1 MPa, with the 5‐HMF:Pt ratio higher than 1000 mol mol–1. © 2021 Society of Chemical Industry (SCI).

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Section: Resultsmentioning

confidence: 99%

Heterogeneous additive‐free highly selective synthesis of 2,5‐bis(hydroxymethyl)furan over catalysts with ultra‐low Pt content

Виканова

Chernova

Редина

et al. 2021

J of Chemical Tech & Biotech

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“…Last but not least, slab supercell models allow one to model more complex structures permitting, for instance, to approach supported catalysts. Hitherto, studies for supported NPs on different oxide substrates have been reported, including Pd and Pt NPs on MgO(001), 96 and Pt NPs on ZrO 2 (111), 97 and SrTiO 3 (001) 98 . However, to model large supported NPs of size about 2 nm and sufficiently isolated from each other requires very large supercells and, consequently, very large computational resources.…”

Section: From Ideal To Realistic Structural Modelsmentioning

confidence: 99%

“…Hitherto, studies for supported NPs on different oxide substrates have been reported, including Pd and Pt NPs on MgO(001), 96 and Pt NPs on ZrO 2 (111), 97 and SrTiO 3 (001). 98 However, to model large supported NPs of size about 2 nm and sufficiently isolated from each other requires very large supercells and, consequently, very large computational resources. More recently, the advances on heterogeneous catalysis have been focused on metal NPs on oxide supports.…”

Section: Exemplary Modelsmentioning

confidence: 99%

Concepts, models, and methods in computational heterogeneous catalysis illustrated throughCO₂conversion

Morales‐García

Viñes

Gomes

et al. 2021

WIREs Comput Mol Sci

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Theoretical investigations and computational studies have notoriously contributed to the development of our understanding of heterogeneous catalysis during the last decades, when powerful computers have become generally available and efficient codes have been written that can make use of the new highly parallel architectures. The outcomes of these studies have shown not only a predictive character of theory but also provide inputs to experimentalists to rationalize their experimental observations and even to design new and improved catalysts. In this review, we critically describe the advances in computational heterogeneous catalysis from different viewpoints. We firstly focus on modeling because it constitutes the first key step in heterogenous catalysis where the systems involved are tremendously complex. A realistic description of the active sites needs to be accurately achieved to produce trustable results. Secondly, we review the techniques used to explore the potential energy landscape and how the information thus obtained can be used to bridge the gap between atomistic insight and macroscale experimental observations. This leads to the description of methods that can describe the kinetic aspects of catalysis, which essentially encompass microkinetic modeling and kinetic Monte Carlo simulations. The puissance of computer simulations in heterogeneous catalysis is further illustrated by choosing CO2 conversion catalyzed by different materials for most of which a comparison between computational information and experimental data is available. Finally, remaining challenges and a near future outlook of computational heterogeneous catalysis are provided. This article is categorized under: Structure and Mechanism > Computational Materials Science Structure and Mechanism > Reaction Mechanisms and Catalysis

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“…Preparation of single-atom cobalt centers on different supports and its testing in photocatalytic water splitting was reported by H. Ahn and co-workers [56]. Recently, Jeantelot et al [57,58] reported superior activity of isolated Pt atoms on TiO 2 and ultrafine Pt on SrTiO 3 using Pt (COD)Me 2 organometallic precursor in photocatalytic water splitting with methanol as sacrificing agent compared to Pt-containing materials prepared by impregnation method.…”

Section: Introductionmentioning

confidence: 99%

Highly-dispersed ultrafine Pt nanoparticles on microemulsion-mediated TiO2 for production of hydrogen and valuable chemicals via oxidative photo-dehydrogenation of glycerol

Maslova

Quadrelli

Gaval

et al. 2021

Journal of Environmental Chemical Engineering

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The oxidative photo-dehydrogenation of glycerol to produce H 2 and other valuable chemicals was studied using different materials. In particular, Pt nanoparticles were deposited on microemulsion-synthesized TiO 2 via surface organometallic chemistry (SOMC) and compared with photocatalysts obtained using more conventional methods. Well-defined Pt(II) single-site titania-grafted were prepared reacting the surface hydroxyl groups of TiO 2 nano-oxides with the organometallic Pt(COD)Me 2 complex. Sample reduction under H 2 generated ultrafine Pt nanoparticles well-dispersed on titania surface. Its performance under simulated solar light showed superior activity when compared to analogous Pt-containing catalysts prepared by other methods. Improved dispersion of Pt metal on titania surface was among the primary reasons of a better overall activity, providing relatively high rates of hydrogen productivity. Moreover, an increase of glyceraldehyde productivity in liquid phase was observed with the increase of Pt dispersion, demonstrating that the metal dispersion can strongly affect the selectivity of chemicals produced in the reaction. Comparison with state of the art shows that the present ma-terial exhibits excellent performance for a combined positive effect of the high specific surface area of titania prepared by microemulsion, giving access to the increased densities of active sites and the high dispersion of Pt nanoparticles given by the SOMC technique.

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Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting

Cited by 75 publications

References 67 publications

Heterogeneous additive‐free highly selective synthesis of 2,5‐bis(hydroxymethyl)furan over catalysts with ultra‐low Pt content

Heterogeneous additive‐free highly selective synthesis of 2,5‐bis(hydroxymethyl)furan over catalysts with ultra‐low Pt content

Concepts, models, and methods in computational heterogeneous catalysis illustrated throughCO₂conversion

Highly-dispersed ultrafine Pt nanoparticles on microemulsion-mediated TiO2 for production of hydrogen and valuable chemicals via oxidative photo-dehydrogenation of glycerol

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Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting

Cited by 75 publications

References 67 publications

Heterogeneous additive‐free highly selective synthesis of 2,5‐bis(hydroxymethyl)furan over catalysts with ultra‐low Pt content

Heterogeneous additive‐free highly selective synthesis of 2,5‐bis(hydroxymethyl)furan over catalysts with ultra‐low Pt content

Concepts, models, and methods in computational heterogeneous catalysis illustrated throughCO2conversion

Highly-dispersed ultrafine Pt nanoparticles on microemulsion-mediated TiO2 for production of hydrogen and valuable chemicals via oxidative photo-dehydrogenation of glycerol

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Product

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Concepts, models, and methods in computational heterogeneous catalysis illustrated throughCO₂conversion