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1

Stabilizing Edge-Fluorination in Graphene Nanoribbons

Panighel, Mirco, Quiroga, Sabela, Brandimarte, Pedro, Moreno, Cesar, Garcia-Lekue, Aran, Vilas-Varela, Manuel, Rey, Dulce, Sauthier, Guillaume, Ceballos, Gustavo, PeÃ±a, Diego, Mugarza, Aitor

Journal:

Year:

2020

File:

PDF, 19.07 MB

2020

2

A tunable electronic beam splitter realized with crossed graphene nanoribbons

Brandimarte, Pedro, Engelund, Mads, Papior, Nick, Garcia-Lekue, Aran, Frederiksen, Thomas, Sánchez-Portal, Daniel

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 11.46 MB

english, 2017

3

Surveying Molecular Vibrations during the Formation of Metal−Molecule Nanocontacts

Vitali, Lucia, Ohmann, Robin, Kern, Klaus, Garcia-Lekue, Aran, Frederiksen, Thomas, Sanchez-Portal, Daniel, Arnau, Andres

Journal:

Year:

2010

Language:

english

File:

PDF, 2.15 MB

english, 2010

4

High-Level Correlated Approach to the Jellium Surface Energy, without Uniform-Gas Input

Constantin, Lucian A., Pitarke, J. M., Dobson, J. F., Garcia-Lekue, A., Perdew, John P.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 131 KB

english, 2008

5

Derivative-free optimization methods for surface structure determination of nanosystems

J. C. Meza, A. Garcia-Lekue, M. A. Abramson, J. E. Dennis

Journal:

Year:

2007

Language:

english

File:

PDF, 64 KB

english, 2007

6

Exploring large O 1s and N 1s core level shifts due to intermolecular hydrogen bond formation in organic molecules

Garcia-Gil, S., Arnau, A., Garcia-Lekue, A.

Journal:

Surface Science

Year:

2013

Language:

english

File:

PDF, 612 KB

english, 2013

7

Search for a Metallic Dangling-Bond Wire on n -Doped H-Passivated Semiconductor Surfaces

Engelund, Mads, Papior, Nick, Brandimarte, Pedro, Frederiksen, Thomas, Garcia-Lekue, Aran, Sánchez-Portal, Daniel

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.43 MB

english, 2016

8

Symmetry forbidden morphologies and domain boundaries in nanoscale graphene islands

Parreiras, Sofia, Gastaldo, Michele, Moreno, Cesar, Martins, Maximiliano, Garcia-Lekue, Aran, Ceballos, Gustavo, Paniago, Roberto, Mugarza, Aitor

Journal:

Year:

2017

Language:

english

File:

PDF, 3.18 MB

english, 2017

9

Submolecular Resolution by Variation of the Inelastic Electron Tunneling Spectroscopy Amplitude and its Relation to the AFM/STM Signal

de la Torre, Bruno, Švec, Martin, Foti, Giuseppe, Krejčí, Ondřej, Hapala, Prokop, Garcia-Lekue, Aran, Frederiksen, Thomas, Zbořil, Radek, Arnau, Andres, Vázquez, Héctor, Jelínek, Pavel

Journal:

Physical Review Letters

Year:

2017

Language:

english

File:

PDF, 2.26 MB

english, 2017

10

Electronic Structure Tunability by Periodic Meta -Ligand Spacing in One-Dimensional Organic Semiconductors

Piquero-Zulaica, Ignacio, Garcia-Lekue, Aran, Colazzo, Luciano, Krug, Claudio K., Mohammed, Mohammed S. G., Abd El-Fattah, Zakaria M., Gottfried, J. Michael, de Oteyza, Dimas G., Ortega, J. Enrique, L

Journal:

Year:

2018

Language:

english

File:

PDF, 1.31 MB

english, 2018

11

Publisher’s Note: “A tunable electronic beam splitter realized with crossed graphene nanoribbons” [J. Chem. Phys. 146, 092318 (2017)]

Brandimarte, Pedro, Engelund, Mads, Papior, Nick, Garcia-Lekue, Aran, Frederiksen, Thomas, Sánchez-Portal, Daniel

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 206 KB

english, 2017

12

Conductance channels of a platform molecule on Au(111) probed with shot noise

Mohr, Michael, Jasper-Toennies, Torben, Weismann, Alexander, Frederiksen, Thomas, Garcia-Lekue, Aran, Ulrich, Sandra, Herges, Rainer, Berndt, Richard

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 658 KB

english, 2019

13

Molecular conductivity switching of two benzene rings under electric field

Vergniory, M. G., Granadino-Roldan, J. M., Garcia-Lekue, A., Wang, Lin-Wang

Journal:

Applied Physics Letters

Year:

2010

Language:

english

File:

PDF, 502 KB

english, 2010

14

Role of occupied d bands in the dynamics of excited electrons and holes in Ag

García-Lekue, A., Pitarke, J. M., Chulkov, E. V., Liebsch, A., Echenique, P. M.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 216 KB

english, 2003

15

Charge Transport in Azobenzene-Based Single-Molecule Junctions

Kim, Youngsang, Garcia-Lekue, Aran, Sysoiev, Dmytro, Frederiksen, Thomas, Groth, Ulrich, Scheer, Elke

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 905 KB

english, 2012

16

Simulation of inelastic electron tunneling spectroscopy of single molecules with functionalized tips

Garcia-Lekue, A., Sanchez-Portal, D., Arnau, A., Frederiksen, T.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 809 KB

english, 2011

17

Unraveling the Electronic Structure of Narrow Atomically-Precise Chiral Graphene Nanoribbons

Merino, Nestor, Li, Jingcheng, Garcia-Lekue, Aran, Vasseur, Guillaume, Vilas-Varela, Manuel, Carbonell-Sanromà, Eduard, Corso, Martina, Ortega, Jose Enrique, Peña, Diego, Pascual, Jose Ignacio, de Ote

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.01 MB

english, 2017

18

Switching From Reactant to Substrate Engineering in the Selective Synthesis of Graphene Nanoribbons

Merino-Díez, Nestor, Lobo-Checa, Jorge, Nita, Pawel, Garcia-Lekue, Aran, Basagni, Andrea, Vasseur, Guillaume, Tiso, Federica, Sedona, Francesco, Das, Pranab Kumar, Fujii, Jun, Vobornik, Ivana, Sambi,

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 963 KB

english, 2018

19

Elastic quantum transport calculations for molecular nanodevices using plane waves

Garcia-Lekue, A., Wang, Lin-Wang

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 370 KB

english, 2006

20

Massive Surface Reshaping Mediated by Metal–Organic Complexes

Abadía, M., González-Moreno, R., Sarasola, A., Otero-Irurueta, G., Verdini, A., Floreano, L., Garcia-Lekue, A., Rogero, C.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

21

Substrate-Induced Stabilization and Reconstruction of Zigzag Edges in Graphene Nanoislands on Ni(111)

Garcia-Lekue, A., Ollé, M., Sanchez-Portal, D., Palacios, J. J., Mugarza, A., Ceballos, G., Gambardella, P.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 4.98 MB

english, 2015

22

Tunneling spectroscopy of close-spaced dangling-bond pairs in Si(001):H

Engelund, Mads, Zuzak, Rafał, Godlewski, Szymon, Kolmer, Marek, Frederiksen, Thomas, García-Lekue, Aran, Sánchez-Portal, Daniel, Szymonski, Marek

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 1.06 MB

english, 2015

23

Chemical Disorder in Topological Insulators: A Route to Magnetism Tolerant Topological Surface States

Martínez-Velarte, M. Carmen, Kretz, Bernhard, Moro-Lagares, María, Aguirre, Myriam H., Riedemann, Trevor M., Lograsso, Thomas A., Morellón, Luis, Ibarra, M. Ricardo, Garcia-Lekue, Arán, Serrate, David

Journal:

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

24

High-conductance contacts to functionalized molecular platforms physisorbed on Au(111)

Jasper-Toennies, Torben, Garcia-Lekue, Aran, Frederiksen, Thomas, Ulrich, Sandra, Herges, Rainer, Berndt, Richard

Journal:

Journal of Physics Condensed Matter

Year:

2019

Language:

english

File:

PDF, 3.82 MB

english, 2019

25

Role of the Anchored Groups in the Bonding and Self-Organization of Macrocycles: Carboxylic versus Pyrrole Groups

González-Moreno, Rubén, Garcia-Lekue, Aran, Arnau, Andrés, Trelka, Marta, Gallego, José M., Otero, Roberto, Verdini, Alberto, Sánchez-Sánchez, Carlos, de Andrés, Pedro L., Martín-Gago, José Ángel, Rog

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 991 KB

english, 2013

26

Ab initio quantum transport calculations using plane waves

Garcia-Lekue, A., Vergniory, M.G., Jiang, X.W., Wang, L.W.

Journal:

Progress in Surface Science

Year:

2015

Language:

english

File:

PDF, 2.07 MB

english, 2015

27

π band dispersion along conjugated organic nanowires synthetized on a metal oxide semiconductor.

Vasseur, Guillaume, Abadía, Mikel, Miccio, Luis A., Brede, Jens, Garcia-Lekue, Aran, De Oteyza, Dimas G., Rogero, Celia, Lobo-Checa, Jorge, Ortega, J. Enrique

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 948 KB

english, 2016

28

Substrate-Independent Growth of Atomically Precise Chiral Graphene Nanoribbons

de Oteyza, Dimas G., Garcia-Lekue, Aran, Vilas-Varela, Manuel, Merino, Nestor, Carbonell-Sanromà, Eduard, Corso, Martina, Vasseur, Guillaume, Rogero, Celia, Guitian, Enrique, Pascual, Jose Ignacio, Or

Journal:

Year:

2016

Language:

english

File:

PDF, 1.64 MB

english, 2016

29

Novel low-energy collective excitation at metal surfaces

Silkin, V. M, García-Lekue, A, Pitarke, J. M, Chulkov, E. V, Zaremba, E, Echenique, P. M

Journal:

EPL (Europhysics Letters)

Year:

2004

Language:

english

File:

PDF, 171 KB

english, 2004

30

Thin-film effects on the surface stopping power of a free electron gas

A. Garcia-Lekue, J.M. Pitarke

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2001

Language:

english

File:

PDF, 139 KB

english, 2001

31

Erratum: Energy loss of charged particles interacting with simple metal surfaces [Phys. Rev. B 64, 035423 (2001)]

García-Lekue, A., Pitarke, J. M.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 21 KB

english, 2003

32

Role of Surface Plasmons in the Decay of Image-Potential States on Silver Surfaces

García-Lekue, A., Pitarke, J. M., Chulkov, E. V., Liebsch, A., Echenique, P. M.

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

33

On-surface route for producing planar nanographenes with azulene moieties

Hieulle, Jeremy, Carbonell-Sanromà, Eduard, Vilas-Varela, Manuel, Garcia-Lekue, Aran, Guitian, Enrique, Peña, Diego, Pascual, Jose Ignacio

Journal:

Year:

2017

Language:

english

File:

PDF, 1.78 MB

english, 2017

34

Electron Transport in Nanoporous Graphene: Probing the Talbot Effect

Calogero, Gaetano, Papior, Nick R., Kretz, Bernhard, Garcia-Lekue, Aran, Frederiksen, Thomas, Brandbyge, Mads

Journal:

Year:

2018

Language:

english

File:

PDF, 5.07 MB

english, 2018

35

Energy loss of charged particles interacting with simple metal surfaces

García-Lekue, A., Pitarke, J.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 210 KB

english, 2001

36

Theoretical Insights into Unexpected Molecular Core Level Shifts: Chemical and Surface Effects

Sarasola, A., Abadía, M., Rogero, C., Garcia-Lekue, A.

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 2.69 MB

english, 2017

37

Calculation of complex band structure for plane-wave nonlocal pseudopotential Hamiltonian

M.G. Vergniory, C. Yang, A. Garcia-Lekue, Lin-Wang Wang

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 588 KB

english, 2010

38

Self-consistent non-equilibrium transport using plane waves

A. Garcia-Lekue, L.W. Wang

Journal:

Computational Materials Science

Year:

2009

Language:

english

File:

PDF, 705 KB

english, 2009

39

Plane-wave based electron tunneling through field emission resonance states

Garcia-Lekue, A., Sánchez-Portal, D., Arnau, A., Wang, L. W.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 849 KB

english, 2013

40

Plane-wave-based electron tunneling through Au nanojunctions: Numerical calculations

Garcia-Lekue, A., Wang, L. W.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 5.09 MB

english, 2010

41

Interaction of a conjugated polyaromatic molecule with a single dangling bond quantum dot on a hydrogenated semiconductor

Godlewski, Szymon, Kolmer, Marek, Engelund, Mads, Kawai, Hiroyo, Zuzak, Rafal, Garcia-Lekue, Aran, Saeys, Mark, Echavarren, Antonio M., Joachim, Christian, Sanchez-Portal, Daniel, Szymonski, Marek

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.85 MB

english, 2016

42

Magnetism of Topological Boundary States Induced by Boron Substitution in Graphene Nanoribbons

Friedrich, Niklas, Brandimarte, Pedro, Li, Jingcheng, Saito, Shohei, Yamaguchi, Shigehiro, Pozo, Iago, PeÃ±a, Diego, Frederiksen, Thomas, Garcia-Lekue, Aran, SÃ¡nchez-Portal, Daniel, Pascual, JosÃ© Ig

Journal:

Physical Review Letters

Year:

2020

File:

PDF, 1.04 MB

2020

43

Coordinated H-Bonding between Porphyrins on Metal Surfaces

Garcia-Lekue, A., González-Moreno, R., Garcia-Gil, S., Pickup, D. F., Floreano, L., Verdini, A., Cossaro, A., Martín-Gago, J. A., Arnau, A., Rogero, C.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.38 MB

english, 2012

44

An inhomogeneous and anisotropic Jastrow function for non-uniform many-electron systems

A. Garcia-Lekue, M. Nekovee, J.M. Pitarke, R. Gaudoin

Journal:

Computational Materials Science

Year:

2001

Language:

english

File:

PDF, 112 KB

english, 2001

45

Orbital-selective spin excitation of a magnetic porphyrin

Rubio-Verdú, Carmen, Sarasola, Ane, Choi, Deung-Jang, Majzik, Zsolt, Ebeling, René, Calvo, M. Reyes, Ugeda, Miguel M., Garcia-Lekue, Aran, Sánchez-Portal, Daniel, Pascual, Jose Ignacio

Journal:

Communications Physics

Year:

2018

Language:

english

File:

PDF, 1.01 MB

english, 2018

46

Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts

Kretz, Bernhard, Pedersen, Christian S., Stradi, Daniele, Brandbyge, Mads, Garcia-Lekue, Aran

Journal:

Physical Review Applied

Year:

2018

Language:

english

File:

PDF, 2.17 MB

english, 2018

47

The role of surface elasticity in giant corrugations observed by scanning tunneling microscopes

W.A. Hofer, A. Garcia-Lekue, H. Brune

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 473 KB

english, 2004

48

Differential tunneling spectroscopy simulations: Imaging surface states

Hofer, W. A., Garcia-Lekue, A.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 369 KB

english, 2005

49

Spin-Dependent Electron Scattering at Graphene Edges on Ni(111)

Garcia-Lekue, A., Balashov, T., Olle, M., Ceballos, G., Arnau, A., Gambardella, P., Sanchez-Portal, D., Mugarza, A.

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 574 KB

english, 2014

50

Atom Transfer and Single-Adatom Contacts

Limot, L., Kröger, J., Berndt, R., Garcia-Lekue, A., Hofer, W. A.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 393 KB

english, 2005

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