Publications: Molecular electronics and spintronics


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These papers are ordered by article relevance.

Electrically addressing the spin of a magnetic porphyrin through covalently connected graphene electrodes
J. Li, N. Friedrich, N. Merino-Díez, D. Oteyza, D. Peña, D. Jacob, J. I. Pascual
Nano Letters 19, 3288 (2019)
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)
Non-equilibrium spectral functions from multi-terminal steady-state density functional theory
Stefan Kurth, David Jacob, Nahual Sobrino, Gianluca Stefanucci
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)
Simulation of inelastic spin flip excitations and Kondo effect in STM spectroscopy of magnetic molecules on metal substrates
D. Jacob
Journal Of Physics-Condensed Matter 30, 3554003 (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)