Publications: Molecular electronics and spintronics
These papers are ordered by article relevance.
- The Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111)
- Juan Carlos Moreno-López, Duncan John Mowbray, Alejandro Perez Paz, Rodrigo Cezar de Campos Ferreira, Alisson Ceccatto dos Santos, Paola Ayala,, Abner de Siervo
Chemistry Of Materials (in press), (2019) - Many-body spectral functions from steady state density functional theory
- D. Jacob, S. Kurth
Nano Letters 18, 2086 - 2090 (2018) - Spin control induced by molecular charging in a transport junction
- S. Karan, C. Garcia, M. Karolak, D. Jacob, N. Lorente, R. Berndt
Nano Letters 18, 88 - 93 (2018) - Robust organic radical molecular junctions using acetylene terminated groups for C-Au bond formation
- Francesc Bejarano, Ignacio Olavarria-Contreras, Andrea Droghetti, Ivan Rungger, Alexander Rudnev, Diego Gutiérrez, Marta Mas-Torrent, Jaume Veciana, Herre van der Zant, Concepció Rovira, Enrique Burzurí, Núria Crivillers
Journal Of The American Chemical Society 140, 1691 (2018) - Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective
- Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado
Chemical Science 9, 3265 - 3275 (2018) - Peptides as Versatile Platforms for Quantum Computing
- L.E. Rosaleny, S. Cardona-Serra, L. Escalera-Moreno, José J. Baldoví, V. Golebiewska, K. Wlazlo, P. Casino, H. Prima-García, A. Gaita-Ariño, Eugenio Coronado
Journal Of Physical Chemistry Letters 9, 4522 - 4526 (2018) - Predicting the conductance of strongly correlated molecules: the Kondo effect in PTM/Au junctions
- Wilhelm H. Appelt, Andrea Droghetti, Liviu Chioncel, Milos M. Radonjic, Enrique Munoz, Stefan Kirchner, Dieter Vollhardt, Ivan Rungger
Nanoscale accpted, (2018) - Spectroscopic Determination of the Electronic Structure of a Uranium Single-Ion Magnet
- J.T. Coutinho, M. Perfetti, José J. Baldoví, M.A. Antunes, P.P. Hallmen, H. Bamberger, I. Crassee, M. Orlita, M. Almeida, J. van Slageren, L. C.J. Pereira
Chemistry-A European Journal Accepted, (2018) - Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement
- J. Castells-Gil, José J. Baldoví, C. Martí-Gastaldo, G. Mínguez Espallargas
Dalton Transactions 47, 14734 - 14740 (2018) - Exchange-correlation functionals of i-DFT for asymmetrically coupled leads
- S. Kurth, D. Jacob
European Physical Journal B 91, 101 (2018) - Non-equilibrium Green's functions for spin transport and dynamics
- Ivan Rungger, Andrea Droghetti, Maria Stemanova
Vol. submitted (2018) - Quantum transport simulations of nano-systems: an introduction to the Green's function approach (Invited contribution)
- Andrea Droghetti
Vol. submitted, (2018) - Exploring High-Symmetry Lanthanide-Functionalized Polyoxopalladates as Building Blocks for Quantum Computing
- José J. Baldoví,* A. Kondinski*
Inorganics, 6, 101 (2018) - Covalent modification of highly ordered pyrolytic graphite with a stable organic free radical using diazonium chemistry
- Gonca Seber, Alexander V. Rudnev, Andrea Droghetti, Ivan Rungger, Jaume Veciana, Marta Mas-Torrent, Concepcio Rovira, Nuria Crivillers
Chemistry-A European Journal 23, 1415 (2017) - Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
- Andrea Droghetti, Ivan Rungger
Physical Review B 95, 085131 (2017)