Journal Articles by P. Abufager


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M. Mohr, M. Gruber, A. Weismann, D. Jacob, P. Abufager, N. Lorente, and R. Berndt
Spin dependent transmission of nickelocene-Cu contacts probed with shot noise
Physical Review B (cited By 1), 101(7), 2020
density functional theory molecules spin polarization temperature transmissions conductance spectra contact formation jump-to-contact low-temperature scanning tunneling microscopes many-body calculations smooth transitions spin excitation spin-dependent transmission shot noise
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P. Alexa, J. Lombardi, P. Abufager, H. Busnengo, D. Grumelli, V. Vyas, F. Haase, B. Lotsch, et al.
Enhancing Hydrogen Evolution Activity of Au(111) in Alkaline Media through Molecular Engineering of a 2D Polymer
Angewandte Chemie - International Edition (cited By 0), 59(22), 8411-8415, 2020
alkalinity catalyst activity chemical bonds density functional theory electrocatalysis electronic structure gold hydrogen polymers porous materials renewable energy resources surface chemistry surface reactions electrocatalytic reactions evolution of hydrogens hybrid catalysts hydrogen evolution hydrogen evolution reaction activities molecular engineering renewable energy source ullmann-type couplings hydrogen evolution reaction
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N. Bachellier, B. Verlhac, L. Garnier, J. Zaldívar, C. Rubio-Verdú, P. Abufager, M. Ormaza, D.-J. Choi, et al.
Vibron-assisted spin excitation in a magnetically anisotropic molecule
Nature Communications (cited By 0), 11(1), 2020
amplitude anisotropy magnetic method molecular analysis anisotropy article calculation excitation spectroscopy
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N. Kocić, D. Blank, P. Abufager, N. Lorente, S. Decurtins, S.-X. Liu, and J. Repp
Implementing Functionality in Molecular Self-Assembled Monolayers
Nano Letters (cited By 1), 19(5), 2750-2757, 2019
cellular automata electric charge electric fields molecules scanning tunneling microscopy self assembled monolayers self assembly charging characteristics heterocyclic molecules interacting molecules local electric field quantum cellular automata self-assembled islands single molecule spectroscopic signatures density functional theory
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B. Verlhac, N. Bachellier, L. Garnier, M. Ormaza, P. Abufager, R. Robles, M.-L. Bocquet, M. Ternes, et al.
Atomic-scale spin sensing with a single molecule at the apex of a scanning tunneling microscope
Science (cited By 6), 366(6465), 623-627, 2019
cobalt copper iron nickel nickelocene unclassified drug detection method molecular analysis polarization probe scanning tunnelling microscopy article atom atomic scale spin sensing chemical analysis chemical interaction excitation magnetism polarization priority journal scanning tunneling microscopy single molecule imaging
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L. Colazzo, M. Mohammed, R. Dorel, P. Nita, C. G. Fernández, P. Abufager, N. Lorente, A. Echavarren, et al.
On-surface synthesis of heptacene on Ag(001) from brominated and non-brominated tetrahydroheptacene precursors
Chemical Communications (cited By 7), 54(73), 10260-10263, 2018
article bromination precursor scanning tunneling microscopy spectroscopy synthesis
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D. Hötger, P. Abufager, C. Morchutt, P. Alexa, D. Grumelli, J. Dreiser, S. Stepanow, P. Gambardella, et al.
On-surface transmetalation of metalloporphyrins
Nanoscale (cited By 4), 10(45), 21116-21122, 2018
cobalt complex networks density functional theory iron compounds organometallics porphyrins scanning tunneling microscopy x ray absorption spectroscopy catalytic properties chemical interactions coordination environment deposition of metals free base porphyrins metalation reaction solvent free process tetraphenylporphyrins coordination reactions
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D.-J. Choi, P. Abufager, L. Limot, and N. Lorente
From tunneling to contact in a magnetic atom: The non-equilibrium Kondo effect
Journal of Chemical Physics (cited By 10), 146(9), 2017
atoms cobalt copper kondo effect temperature co contacts differential conductances low-temperature scanning tunneling microscopes magnetic atoms non equilibrium non-equilibrium effects spin scattering zero-bias anomaly density functional theory
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M. Ormaza, N. Bachellier, M. Faraggi, B. Verlhac, P. Abufager, P. Ohresser, L. Joly, M. Romeo, et al.
Efficient Spin-Flip Excitation of a Nickelocene Molecule
Nano Letters (cited By 24), 17(3), 1877-1882, 2017
anisotropy circular dichroism spectroscopy copper dichroism electron tunneling magnetic anisotropy magnetic moments magnetic storage magnetism molecules organometallics scanning tunneling microscopy spectroscopy electrical characterization excitation process functionalizations inelastic electron tunneling spectroscopy spin flip supporting surfaces surface magnetism x-ray magnetic circular dichroism density functional theory
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G. Ruano, E. Tosi, E. Sanchez, P. Abufager, M. Martiarena, O. Grizzi, and G. Zampieri
Stages of Se adsorption on Au(111): A combined XPS, LEED, TOF-DRS, and DFT study
Surface Science (cited By 2), 662, 113-122, 2017
adsorption charge transfer density functional theory low energy electron diffraction multilayers x ray photoelectron spectroscopy adsorption experiment clean surfaces dft calculation gold surfaces leed patterns liquid solution phase present two-ordered phasis surface reconstruction
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C. García-Fernández, P. Abufager, and N. Lorente
Transport Properties of Co in Cu(100) from Density Functional Theory Calculations
Journal of Physical Chemistry C (cited By 1), 121(42), 23736-23743, 2017
atoms cobalt copper electrodes electron transport properties electronic structure point contacts transport properties elastic transmissions electrode couplings electron transmission electronic transport properties orders of magnitude spin orbit interactions spin-orbit couplings transmission components density functional theory
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M. Ormaza, P. Abufager, B. Verlhac, N. Bachellier, M.-L. Bocquet, N. Lorente, and L. Limot
Controlled spin switching in a metallocene molecular junction
Nature Communications (cited By 20), 8(1), 2017
copper metallocene nickel quantum dot electrical conductivity electrode electron equipment experimental study interface measurement method microscopy acceleration adsorption anisotropy article atom comparative study conductance density functional theory elasticity electric potential low temperature magnetism molecule scanning tunneling microscopy surface property
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J. Lasave, P. Abufager, and S. Koval
Ab initio study of the one-dimensional H-bonded ferroelectric CsH2PO4
Physical Review B (cited By 8), 93(13), 2016
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N. Hauptmann, R. Robles, P. Abufager, N. Lorente, and R. Berndt
AFM Imaging of Mercaptobenzoic Acid on Au(110): Submolecular Contrast with Metal Tips
Journal of Physical Chemistry Letters (cited By 11), 7(11), 1984-1990, 2016
scanning tunneling microscopy self assembled monolayers adsorption energies covalent interactions dispersion interaction high resolution high resolution image image contrasts mercaptobenzoic acids scanning tunneling atomic force microscopy atomic force microscopy
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M. Ormaza, P. Abufager, N. Bachellier, R. Robles, M. Verot, T. L. Bahers, M.-L. Bocquet, N. Lorente, et al.
Assembly of ferrocene molecules on metal surfaces revisited
Journal of Physical Chemistry Letters (cited By 25), 6(3), 395-400, 2015
adsorption density functional theory molecules scanning tunneling microscopy self assembly temperature half-metallic low-temperature scanning tunneling microscopy metal surfaces molecular arrangements molecular layer molecular spintronics non-covalent organo-metallic molecules organometallics
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P. Abufager, R. Robles, and N. Lorente
FeCoCp3 Molecular Magnets as Spin Filters
Journal of Physical Chemistry C (cited By 24), 119(22), 12119-12129, 2015
anisotropy density functional theory electron transport properties electronic structure magnetism magnetoelectronics molecules nanotechnology organometallics polarization spin polarization transition metals cyclopentadienyl rings electron transport magnetic state molecular candidates molecular magnet molecular spintronics non-equilibrium green's function spin-flip process magnetic anisotropy
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F. Blobner, P. Abufager, R. Han, J. Bauer, D. Duncan, R. Maurer, K. Reuter, P. Feulner, et al.
Thiolate-Bonded Self-Assembled Monolayers on Ni(111): Bonding Strength, Structure, and Stability
Journal of Physical Chemistry C (cited By 12), 119(27), 15455-15468, 2015
chemical bonds corrosion inhibitors density functional theory molecules monolayers nickel transition metals x ray absorption spectroscopy x ray photoelectron spectroscopy aromatic thiol bonding configurations bonding strength global patterns low activation nickel substrates room temperature thiol molecules self assembled monolayers
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P. Abufager, G. Zampieri, K. Reuter, M. Martiarena, and H. Busnengo
Long-range periodicity of S/Au(111) structures at low and intermediate coverages
Journal of Physical Chemistry C (cited By 15), 118(1), 290-297, 2014
coverage ranges dft calculation ground-state structures hamiltonian approach lateral interactions relative stabilities substrate relaxation systematic analysis ground state calculations
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P. Lustemberg, P. Abufager, M. Martiarena, and H. Busnengo
Adsorption of methanethiol on au(1 1 1): Role of hydrogen bonds
Chemical Physics Letters (cited By 2), 610611, 381-387, 2014
hydrogen bonds density functional theory dimers au(1 1 1 ) bond scissions co-operative effects h-bonds methanethiol range dispersion transfer mechanisms dimers hydrogen bonds
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C. Champion, P. Weck, H. Lekadir, M. Galassi, O. Fojón, P. Abufager, R. Rivarola, and J. Hanssen
Proton-induced single electron capture on DNA/RNA bases
Physics in Medicine and Biology (cited By 29), 57(10), 3039-3049, 2012
biological targets continuum distorted wave-eikonal initial state continuum distorted waves differential overlap models electron approximation high energy proton self-consistent method single electron capture theoretical prediction total cross section water vapour distortion (waves) high energy physics dna proton rna article chemistry electron dna electrons protons rna
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P. Abufager, J. S. Canchaya, Y. Wang, M. Alcamí, F. Martín, L. A. Soria, M. Martiarena, K. Reuter, et al.
Theoretical study of the structure of self-assembled monolayers of short alkylthiolates on Au(111) and Ag(111): The role of induced substrate reconstruction and chain-chain interactions
Physical Chemistry Chemical Physics (cited By 21), 13(20), 9353-9362, 2011
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M. Galassi, P. Abufager, P. Fainstein, and R. Rivarola
Single-electron capture in collisions of proton beams with molecules of biological interest
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 10), 81(6), 2010
collision energies continuum distorted waves eikonal electron capture experimental data fast ions initial state molecular targets orbitals single electron single electron capture state models total cross section charge transfer chemical bonds molecular orbitals ion exchange
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P. Abufager, P. Lustemberg, C. Crespos, and H. Busnengo
DFT study of dissociative adsorption of hydrogen sulfide on Cu(111) and Au(111)
Langmuir (cited By 37), 24(24), 14022-14026, 2008
activation energy chemical bonds copper compounds density functional theory dissociation energy barriers gas adsorption sulfur compounds dissociation probability dissociation process dissociative adsorption high activation energy molecular adsorption molecular state reaction pathways sticking probability gold compounds
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P. Abufager, C. Crespos, and H. Busnengo
Modified Shepard interpolation method applied to trapping mediated adsorption dynamics
Physical Chemistry Chemical Physics (cited By 14), 9(18), 2258-2265, 2007
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E. Testa, P. Abufager, F. Bosch, A. Bräuning-Demian, H. Bräuning, M. Chevallier, C. Cohen, D. Dauvergne, et al.
Using channeling properties for studying the impact-parameter dependence of electron capture by 20-MeV/u uranium ions in a silicon crystal
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 3), 76(6), 2007
electric charge electron emission heavy ions ionization polarization silicon compounds uranium compounds electron capture gas polarization ion flux distribution electron traps
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P. Abufager, P. Fainstein, A. Martínez, and R. Rivarola
Single electron capture differential cross section in H+ + He collisions at intermediate and high collision energies
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 26), 38(1), 11-22, 2005
angle measurement approximation theory electron energy levels electron scattering helium integral equations ions targets collision energy continuum distorted wave-eikonal initial state (cdw-eis ii) differential cross sections (dcs) multielectronic targets high energy physics
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P. Abufager, A. Martínez, R. Rivarola, and P. Fainstein
Single electron capture in ion-atom collisions involving multielectronic targets
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms (cited By 4), 233(14), 255-259, 2005
approximation theory argon electron energy levels electron transitions electrons hamiltonians neon protons targets continuum distorted wave (cdw) electron capture multielectronic targets wavefunctions high energy physics
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P. Abufager, A. Martínez, R. Rivarola, and P. Fainstein
CDW-EIS model for single-electron capture in ion-atom collisions involving multielectronic targets
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 24), 37(4), 817-827, 2004
multielectronics targets single electron capture approximation theory computation theory computer simulation ionization large scale systems problem solving continuum mechanics
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M. Galassi, P. Abufager, A. Martinez, R. Rivarola, and P. Fainstein
The continuum distorted wave eikonal initial state model for transfer ionization in H+, He2+ + He collisions
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 30), 35(7), 1727-1739, 2002
approximation theory continuum mechanics initial value problems ionization ions numerical methods probability coupled channel methods transfer-ionization (ti) processes electron energy levels
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P. Abufager, H. Busnengo, A. Mártínez, and R. Rivarola
Electron capture from excited states of hydrogen by impact of bare ions
Physica Scripta (cited By 1), 66(1), 38-42, 2002
alpha particles approximation theory charge transfer hydrogen ions polarization protons electron capture ground state
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Conference Papers


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P. Abufager, A. Martínez, R. Rivarola, and H. Busnengo
Electron capture from H(2s) and H(2p) by H+ and higher charged ions
Physica Scripta T (cited By 0), 92, 259-261, 2001
alpha particles approximation theory electron energy levels ion bombardment protons electron capture quantum numbers atomic physics
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