Publications: Molecular electronics and spintronics

Years

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These papers are ordered by article relevance.

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 Submitted, (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 Accepted, (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)
Stable Anchoring Chemistry for Room Temperature Charge Transport through Graphite-Molecule Contacts
Alexander V. Rudnev, Veerabhadrarao Kaliginedi, Andrea Droghetti, Hiroaki Ozawa, Akiyoshi Kuzume, Masa-aki Haga, Peter Broekmann, Ivan Rungger
Science Advances 3, e1602297 (2017)