C1 Chemistry on Metal Carbide Nanoparticles: Boosting the Conversion of CO2 and CH4

José A. Rodriguez, Carlos Jimenez-Orozco, Elizabeth Flórez, Francesc Viñes, Francesc Illas

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

5 Citas (Scopus)


The studies described in this Perspective show that transition metal carbide (TMC) nanoparticles can be very useful for the activation of three molecules located at the heart of C1 chemistry: H2, CH4, and CO2. They also can play a major role in the trapping and conversion of two major greenhouse gases. A combination of experiment and theory has shed light on the physical and chemical properties of these systems, which can be very different from those of bulk carbides. Molecular clusters of these compounds, which can be inserted inside the cages of zeolites or carbon nanotubes, have unsaturated metal and carbon atoms that frequently work in a cooperative way when dealing with hard-to-activate molecules, such as CH4 and CO2. These molecular clusters can evolve into nanoparticles of small to medium size (<15 nm) that have unique carbon/metal ratios and structures not seen in the bulk metal carbides. Even when their structures are cuts from bulk lattices, the TMC nanoparticles have corner or edge atoms that are active for the cleavage and conversion of C-H and C-O bonds. Here, we cover experimental and theoretical studies with well-defined metal carbide nanoparticles prepared by different methods, free and supported on diverse substrates. The Perspective ends with a discussion of current challenges and potential applications.

Idioma originalInglés
Páginas (desde-hasta)16764-16780
Número de páginas17
PublicaciónJournal of Physical Chemistry C
EstadoAceptada/en prensa - 2023

Tipos de productos de Minciencias

  • Artículo A1 - Q1


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