NANOMATERIALS FOR EMERGENT TECHNOLOGIES
Description
Using a multiscale approach, the properties of magnetic molecules, single transport molecular joints or switching nanodevices is investigated on the basis of their physical properties. The study of molecular, multifunctional and switchable materials oftechnological interest is key in order to enhance their properties. The outputs from our models greatly help synthetic labs toward the rational design ofnew materials with tailored properties.
IQTC groups + researchers
• Nanoclusters and Nanostructured Materials: Stefan Bromley, Isaac Alcón
• Electronic Structure: Eliseo Ruiz, Santiago Álvarez, Jordi Cirera, Silvia Gómez, Magda Pascual
• Electronic Structure and Symmetry: Pere Alemany, Miquel Llunell
• Structure of Molecular Materials: Mercè Deumal, Maria Fumanal, Fernando Mota, Jordi Ribas
• Theoretical and Computational Organic Chemistry: Josep Maria Bofill, Iberio Moreira
• ChemInFlow: Josep Puigmartí, Albert Cortijos, Mario Palacios, Maria Guix
• Molecular Light-Matter Interactions: Claudia Climent
• Functional materials and phase transitions: Eduardo Mendive
• Non-Equilibrium Supramolecular Self-Assembly Lab: Alessandro Sorrenti
Highlight Publications
Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models
Ángel Morales-García, Francesc Viñes, Carmen Sousa, and Francesc Illas.
J. Phys. Chem. Lett. 2023, 14, 15, 3712–3720
Molecular memory near room temperature in an iron polyanionic complex
Andrea Moneo-Corcuera, David Nieto-Castro, Jordi Cirera, Verónica Gómez, Jesús Sanjosé-Orduna, Carla Casadevall, Gábor Molnár, Azzedine Bousseksou, Teodor Parella, José María Martínez-Agudo, Julio Lloret-Fillol, Mónica Helvia Pérez-Temprano, Eliseo Ruiz, José Ramón Galán-Mascarós.
Chem, 2023, 9, 2, 377-393
Understanding trends in conductivity in four isostructural multifunctional crystals of Se-Substituted BisDithiazolyl radicals.
Cristina Roncero-Barrero, M. Àngels Carvajal, Jordi Ribas-Ariño, Ibério de P.R. Moreira, Mercè Deumal.
Journal of Materials Chemistry C (2023) 12(26)
Highly Adiabatic Time-Optimal Quantum Driving at Low Energy Cost.
Lluc Garcia, Josep Maria Bofill, Ibério de P. R. Moreira, and Guillermo Albareda.
Physical Review Letters 129, 180402 (2022)
Electrostatic catalysis of a click reaction in a microfluidic cell
S. Sevim, C. Franco, A. C Aragonès, N. Darwish, D. Kim, R. Anna Picca, B. J. Nelson, S. Pané, I. Díez-Pérez, J. Puigmartí-Luis.
Nat. Commun., 2024, 15, 790.
Caught in Action: Visualizing Dynamic Nanostructures Within Supramolecular Systems Chemistry
Akhil Venugopal, Lorena Ruiz-Perez, K. Swamynathan, Chidambar Kulkarni, Annalisa Calò, and Mohit Kumar.
Angew. Chem. Int. Ed. 2023, 62
Decoding Key Transient Inter-Catalyst Interactions in a Reductive Metallaphotoredox-Catalyzed Allylation Reaction
Bart Limburg, Àlex Cristòfol, and Arjan W. Kleij.
J. Am. Chem. Soc. 2022, 144, 24, 10912–10920.