A5008653349- Electrocatalysts for Energy Conversion
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Electrochemical Analysis and Applications
- Crystallography and molecular interactions
- Fuel Cells and Related Materials
- Advanced battery technologies research
- Catalytic Processes in Materials Science
- Catalytic C–H Functionalization Methods
- Molecular Junctions and Nanostructures
- Advanced Memory and Neural Computing
- Catalytic Cross-Coupling Reactions
- Ammonia Synthesis and Nitrogen Reduction
- Hybrid Renewable Energy Systems
- Atomic and Subatomic Physics Research
- Perovskite Materials and Applications
- Coordination Chemistry and Organometallics
- Chemical Synthesis and Analysis
- Hydrogen Storage and Materials
- Dendrimers and Hyperbranched Polymers
- Machine Learning in Materials Science
- Copper-based nanomaterials and applications
- Advanced Chemical Physics Studies
- Magnetism in coordination complexes
- Semiconductor materials and devices
Universitat Jaume I
2017-2022
Ayuntamiento de Castellón de la Plana
2019
Ca' Foscari University of Venice
2015
The understanding of quantum correlations within catalysts is an active and advanced research field, absolutely necessary when attempting to describe all the relevant electronic factors in catalysis. In our previous research, we came conclusion that most promising interactions improve optimization technological applications based on magnetic materials are spin exchange (QSEI), nonclassical orbital mechanisms considerably reduce Coulomb repulsion between electrons with same spin. QSEI can...
To reach a long term viable green hydrogen economy, rational design of active oxygen evolution reaction (OER) catalysts is critical. An important hurdle in this originates from the fact that reactants are singlet molecules, whereas molecule has triplet ground state with parallel spin alignment, implying magnetic order catalyst essential. Accordingly, multiple experimentalists reported positive effect external fields on OER activity ferromagnetic catalysts. However, it remains challenge to...
Abstract The dioxygen molecule has two bound states, singlet and triplet, which are different in energy, lifetime, reactivity. In the context of oxygen electrocatalysis as applied to fuel cells water splitting involved O 2 is typically considered be exclusively its triplet ground state. However, applying spin-conservation rules for transformation between OH − /H reaction intermediates predicts an additional free energy barrier associated with required spin flip. As a result, conditions under...
One of the main obstacles in implementation hydrogen fuel cells (HFC) lies efficiency loss due to overpotential oxygen reduction reaction (ORR). Nowadays, best catalysts for cathodes HFC are Pt3Co nanostructures. The superior activity these magnetic Pt-alloys, compared metallic platinum, correlates with milder chemisorption oxygenated intermediates on surfaces alloy. Quantum spin exchange interactions (QSEI), including interlayer coupling inner Co layers, determinant make active sites prone...
The definition of the interplay between chemical composition, electro-magnetic configuration and catalytic activity requires a rational study orbital physics behind active materials.
Two gold(I)-based metallo-tweezers with bis(Au-NHC) pincers and a carbazole connector have been obtained used for the recognition of polycyclic aromatic hydrocarbons (PAHs). In case tweezer pyrene-NHC ligands, presence pyrene fragment N-H bond in linker enable receptor to show significant enhanced binding abilities toward PAHs functionalized H-bonding groups, through combined π-π stacking H-bonding.
Valence electrons are one of the main players in solid catalysts and catalytic reactions, since they involved several correlated phenomena like chemical bonding, magnetism, chemisorption, bond activation. This is particularly true case containing d-transition metals, which exhibit a wide range magnetic phenomena, from paramagnetism to collective behaviour. Indeed, outer d-shells are, on hand, formation bonds within structure catalyst its surface, and, other, accountable for properties...
Catalysis is a quantum phenomenon enthalpically driven by electronic correlations with many-particle effects in all of its branches, including electro-photo-catalysis and electron transfer. This means that only probability amplitudes provide complete relationship between the state catalysis observations. Thus, any atomic system material), competing space-time interactions coexist to define (related) properties such as stability, (super)conductivity, magnetism (spin-orbital ordering),...
Bimetallic Pt-based alloys have drawn considerable attention in the last decades as catalysts proton-exchange membrane fuel cells (PEMFCs) because they closely fulfill two major requirements of high performance and good stability under operating conditions. Pt3Fe, Pt3Co, Pt3Ni stand out candidates, given their activity toward challenging oxygen reduction reaction (ORR). The common feature across based on 3d-transition metals is magnetism. Ferromagnetic spin-electron interactions, quantum...
Abstract Magnetic alloys are key to develop efficient catalysts for oxygen reduction reaction (ORR) in fuel cells. During the last decade, it has been shown that spin manipulation of magnetic materials can improve kinetics triplet state 3 O 2 electrocatalysis, promoting unification between physics strongly correlated and heterogeneous catalysis. In this study, structurally ordered Pt Co nanowires (NWs) synthesized, their ORR catalytic performances studied detail. These intermetallic L1 ‐Pt...
In electrolysers about 10–15% of CAPEX per kg_H 2 h −1 is possible via optimizing spin-potentials: a seed from quantum correlations.
Oxygen evolution reaction (OER) is usually the bottleneck in water electrolysis due to its sluggish kinetics, there a need of more efficient and stable catalysts, nowadays resulting increased...
To reach a long term viable green hydrogen economy, rational design of active oxygen evolution reaction (OER) catalysts is critical. An important hurdle in this originates from the fact that reactants are singlet molecules, whereas molecule has triplet ground state with parallel spin alignment, implying magnetic order catalyst essential. Accordingly, multiple experimentalists reported positive effect external fields on OER activity ferromagnetic catalysts. However, it remains challenge to...