Rocio Micaela Crespo Quesada

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Traditionally, the search for active and selective catalysts involved a rather tedious "hit-and-miss" approach in which hundreds, if not thousands catalysts were tested until the optimal substance was identified. With the advancing theoretical understandin ...

In the frame of DFT paradigms, the adsorption of 2-methyl-3-butyn-2-ol (MBY) and 2-methyl-3-buten-2-ol (MBE) on a Pd-30 cluster, including both {100} and {111} faces, was studied along with the pathways involved in the hydrogenation, taking place on plane ...

The relationship between catalytic response and properties of the active phase is difficult to establish in classical heterogeneous catalysis due to the number of variables that can affect catalytic performance. Ultrahigh-vacuum surface methods applied to ...

This interdisciplinary work combines the use of shape- and size-defined Pd nanocrystals (cubes of 10 and 18 nm, and octahedra of 37 nm) with in situ techniques and DFT calculations to unravel the dynamic phenomena with respect to Pd reconstruction taking p ...

The solvent-free selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) was studied over a Pd/ZnO structured catalyst and compared to its behavior in water-assisted conditions. The catalytic behavior was correlated with the s ...

The structure sensitivity of acetylene hydrogenation was studied over size-controlled cubic and octahedral Pd nanocrystals (NCs) supported on ZnO and SiO2. Acetylene hydrogenation was found to be structure sensitive [with Pd(111) in octahedra being more ac ...

2,2′-Bipyridine (bipy) and an imidazolium-functionalized bipy ligand were used in the synthesis of palladium nanoparticles in water and in ionic liquid. The function of such ligands was twofold: first, as stabilizing agents to prevent the agglomeration of ...

Polyvinylpyrrolidone stabilized rhodium nanoparticles are highly sol. in hydroxyl-functionalized ionic liqs., providing an effective and highly stable catalytic system. In hydrogenation reactions, excellent results were obtained, and transmission electron ...

The integrated approach for the design of solid catalysts for process intensification is presented addressing simultaneously different levels of scale and complexity involved in the development starting from the molecular/nano-scale of the active phase opt ...

Rocio Micaela Crespo Quesada

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Rational Design of Pd-Based Catalysts for Selective Alkyne Hydrogenations

Structure Sensitivity of 2-Methyl-3-butyn-2-ol Hydrogenation on Pd: Computational and Experimental Modeling

Selective Alkyne Hydrogenation over Nano-metal Systems: Closing the Gap between Model and Real Catalysts for Industrial Applications

Shape-Dependence of Pd Nanocrystal Carburization during Acetylene Hydrogenation

Kinetics of the solvent-free hydrogenation of 2-methyl-3-butyn-2-ol over a structured Pd-based catalyst

Size and Shape-controlled Pd Nanocrystals on ZnO and SiO2: When the Nature of the Support Determines the Active Phase

Supported nitrogen-modified Pd nanoparticles for the selective hydrogenation of 1-hexyne

Biphasic Hydrogenation over PVP Stabilized Rh Nanoparticles in Hydroxyl Functionalized Ionic Liquids

Integrated Approach for the Intensification of Heterogeneous Catalytic Processes