Grups d'Investigació

GIUV2023-538

The group's research activity focuses on the design and theoretical characterisation of new materials based on two-dimensional (2D) crystals that can be controlled by external stimuli (light, pressure, temperature, etc.). Specifically, we focus on understanding their electronic, structural, magnetic and vibrational properties using first-principle methods and Hamiltonian models, based on the tools provided by quantum chemistry, solid-state physics and materials science. Our main objective is both the development and application of efficient theoretical and computational frameworks that serve as a driving force to create intelligent 2D materials. Our research, on the frontier between physics and chemistry, also covers their possible applications in emerging fields such as magnonics, spintronics, quantum computing and sensors.

No Determinada

• Electronic design and structure of 2D materials and van der Waals heterostructures
• Study of magnetic properties and spin dynamics for applications in magnonics
• Development of efficient theoretical and computational frameworks for hybrid heterostructures with 2D materials
• Mechanical stress and defect engineering in 2D magnetic materials

• Two-dimensional magnetic materials.We explore magnetic properties and their possible applications in spintronics and magnonics through state-of-the-art computational and Hamiltonian model methods using a chemical approach
• Hybrid molecular/2D heterostructures.We study the properties of sublimable organic and inorganic molecules on the surface of two-dimensional materials, modelling the properties that develop at the interface with the aim of creating new intelligent devices based on the coherent control of these properties.
• Low-dimensional molecular materials.We design and research low-dimensional molecular materials with interesting magnetic properties (molecular nanomagnets, molecular quantum bits, magnetic metal-organic frameworks etc.) taking advantage of the great flexibility provided by chemistry.

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• Institute of Molecular Science (ICMOL)

• 2D materials; 2D magnetism; Magnonics; Spintronics;
• Spin-crossover molecules; molecular nanomagnets; hybrid heterostructures; thin films;
• Molecular nanomagnets; Molecular spin qubits; Molecular magnetic materials; metal-organic frameworks;