Preparation and characterization of bulk MoXC catalysts and their use in the reverse water-gas shift reaction

Liu, Xianyun; Pajares, Arturo; Matienzo, DJ Donn Calinao; Piscina, Pilar Ramı́rez de la; Homs, Narcı́s

doi:10.1016/j.cattod.2019.11.011

Cited by 30 publications

(27 citation statements)

References 51 publications

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“…The XRD pattern of bulk Mo x C shows the broad peaks centered at 2θ = 37.2, 41.4, 61.9, and 74.3°, corresponding to the (111), (200), (220), (311), and (222) crystal planes of α-MoC (PDF no. 03-065-0280), respectively, and those XRD peaks corresponding to α-MoC are also determined for 30Mo x C/γ-Al 2 O 3 .…”

Section: Results and Discussionmentioning

confidence: 99%

Ni–Mo₂C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

et al. 2021

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Supported non-noble metal nanomaterials have attracted much interest due to their promising application prospects in heterogeneous catalysis. γ-Al2O3-supported Ni–Mo x C catalysts have been synthesized using an impregnation method, followed by the carburization at 993 K under a 5% H2/Ar flow. The synthesized NiMo x C/γ-Al2O3 catalysts are characterized and first tested in the hydrolysis of ammonia borane (NH3BH3, AB) at 298 K. The X-ray photoelectron spectra analysis shows that the incorporation of Mo x C can enhance the dispersion of surface Ni and consequently improve the catalytic performance of NiMo x C/γ-Al2O3 in AB hydrolysis. The highest turnover frequency value of 75.1 min–1 toward the AB hydrolysis is obtained for 10Ni30Mo x C/γ-Al2O3 under the investigated reaction conditions. The kinetic studies of H2 evolution at a temperature range of 293–323 K determined an activation energy (E a) value of 33.12 kJ mol–1 over 10Ni30Mo x C/γ-Al2O3. Experimental results indicate that the synergistic effect of Ni and Mo2C is contributed to the high catalytic activity of 10Ni30Mo x C/γ-Al2O3. The obtained results in this work suggest that the hexagonal Mo2C can be a promising material in catalytic hydrogen generation from AB hydrolysis.

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Section: Results and Discussionmentioning

confidence: 99%

Ni–Mo₂C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

et al. 2021

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“…Table summarizes the surface energy results, and Figure shows the equilibrium particle morphologies, computed at Δμ C = −0.15 eV. We chose Δμ C = −0.15 eV as an intermediate and representative value since it roughly corresponds to common composition and temperature synthesis conditions; more details can be found in Section S6. ,,− We report the detailed surface energy calculation results and particle morphologies at other values of Δμ C in Tables S5 and S6 and Figure S6, and all calculated energies and molecular structures used in the Wulff constructions are reported in the Surfaces.zip file in the Supporting Information.…”

Section: Resultsmentioning

confidence: 99%

Nanoparticle Size Effects on Phase Stability for Molybdenum and Tungsten Carbides

et al. 2021

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Transition-metal carbides (TMCs) are important materials for a variety of applications and industrial processes, in part because of their variable crystal structures and surfaces. However, the synthesis of TMCs often proceeds through metastable phases during particle growth, the appearance of which cannot be described by traditional phase diagrams. Here, we use density functional theory calculations and thermodynamic analyses to construct particle size-dependent phase diagrams for Mo and W carbides and reveal the relationships between phase stability and TMC nanoparticle size. We compute size-dependent phase diagrams for a wide range of Mo carbide and W carbide phases, determine predicted crystallization pathways during synthesis, and compare model results with experimental data. We provide insights for the influence of nanoparticle size on TMC nucleation and growth during synthesis and provide a computationally guided road map for navigating the synthesis of target TMC surfaces and phases.

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“…The initial gel condenses during the thermal treatment with the formation of an intermediate glass. The composition of this intermediate material, which depends on the metal and carbon precursors and the carbon precursor/metal precursor ratio, is expected to influence the final material obtained [43,44]. After preparation, samples were not passivated because a detrimental effect of the O 2 passivation in the activity of alumina-supported molybdenum carbide catalysts for CO 2 hydrogenation has been found [45].…”

Section: Catalyst Preparationmentioning

confidence: 99%

Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts

Pajares

Prats

Romero

et al. 2020

Applied Catalysis B: Environmental

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Preparation and characterization of bulk MoXC catalysts and their use in the reverse water-gas shift reaction

Cited by 30 publications

References 51 publications

Ni–Mo₂C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

Ni–Mo₂C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

Nanoparticle Size Effects on Phase Stability for Molybdenum and Tungsten Carbides

Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts

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Preparation and characterization of bulk MoXC catalysts and their use in the reverse water-gas shift reaction

Cited by 30 publications

References 51 publications

Ni–Mo2C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

Ni–Mo2C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

Nanoparticle Size Effects on Phase Stability for Molybdenum and Tungsten Carbides

Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts

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Product

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Ni–Mo₂C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane

Ni–Mo₂C Nanocomposites as Highly Efficient Catalysts for Hydrogen Generation from Hydrolysis of Ammonia Borane