Publications

    1. Low‐lying LUMO Boosts Conductance in Antiaromatic Dibenzopentalene Versus Aromatic Analogues,
      M Schmidt, L Abellán Vicente, MT González, LA Zotti*, B Esser*, E Leary*,
      Chem. Eur. J.  30, e202400935 (2024) https://doi.org/10.1002/chem.202400935 [URL]
    2. Interrogating the CISS effect in chiral and paramagnetic organic radicals: the impact of the molecular spin over the total spin polarization,
      J.A. De Sousa, P. Mayorga-Burrezo, S. Míguez-Lago, J. Catalán-Toledo, R. Ramos-Tomás, A. Ortuño, L. A. Zotti, J. J. Palacios, A.G. Campaña, J. Veciana, N. Crivillers
      J. Mat chem C 12,  11550-11560 (2024) https://doi.org/10.1039/D4TC01389A [URL]
    3. Antiaromatic Non-Alternant Heterocyclic Compounds as Molecular Wires,
      E. Leary, C.Roldán-Piñero, R. Rico-Sánchez-Mateos, L. A Zotti*,
      J. Mat chem C 12, 4306-4315 (2024) https://doi.org/10.1039/D3TC04266A [URL]
    4. Efficient Electron Hopping Transport through Azurin-Based Junctions,
      Carlos Roldán-Piñero, Carlos Romero-Muñiz, Ismael Díez-Pérez, J. G. Vilhena, Rubén Pérez, Juan Carlos Cuevas, and Linda A. Zotti*, J. Phys. Chem. Lett. 14, 49, 11242–11249 (2023)
      https://doi.org/10.1021/acs.jpclett.3c02702  [URL]
    5. A group-theoretic approach to the origin of chirality-induced spin selectivity in non-magnetic molecular junctions,
      W. Dednam*, M. A. García-Blázquez, Linda A. Zotti, E. B. Lombardi, C. Sabater, S. Pakdel, and J. J. Palacios, ACS Nano 17, 7, 6452–6465 (2023)
      https://doi.org/10.1021/acsnano.2c11410  [URL]
    6. Chiral Single‐Molecule Potentiometers Based on Stapled ortho‐Oligo (phenylene) ethynylenes,
      A. Ortuño, P. Reine, L. Alvarez de Cienfuegos, I. R. Marquez, W. Dednam, E. B. Lombardi, J. J. Palacios, E. Leary, G. Longhi, V. Mujica, A. Millan, T. Gonzalez*, L. A. Zotti*, D. Miguel*, J. M. Cuerva*, Angew. Chem. Int. Ed. 2023, 62, e202218640; Angew. Chem. 2023, 135, e202218640.
      https://doi.org/10.1002/anie.202218640 (2023) [URL]
    7. Experimental Data Confirm Carrier-Cascade Model for Solid-State Conductance across Proteins,
      E. Papp, G. Vattay, C. Romero-Muñiz, L. A Zotti, J. A. Fereiro, M. Sheves, D. Cahen,
      J. Phys. Chem. B 127, 8, 1728–1734 (2023) [URL]
    8. Recent advances in understanding the electron transport through metal-azurin-metal junctions ,
      C. Romero-Muñiz, J. G. Vilhena , R. Perez , J. C. Cuevas and L. A. Zotti*,
      Front. Phys. doi: 10.3389/fphy.2022.950929 (2022)[URL]
    9. Adhesion of thin metallic layers on Au surfaces,
      LA Zotti, D D O’Regan,
      Journal of Physics: Condensed Matter 34 (27), 275001 (2022) [URL]
    10. Constrained DFT for Molecular Junctions,
      LA Zotti, W Dednam, EB Lombardi, JJ Palacios,
      Nanomaterials 12 (7), 1234 (2022) [URL]
    11. Three-state molecular potentiometer based on a non-symmetrically positioned in-backbone linker,
      Palomino-Ruiz, P Reiné, I R Márquez, L Álvarez de Cienfuegos, N Agraït, J M Cuerva, A G Campaña, E Leary, D Miguel, A Millán, L A Zotti, M T González,
      Journal of Materials Chemistry C 9 (45), 16282 (2021) [URL]
    12. The Role of Metal Ions in the Electron Transport through Azurin-Based Junctions,
      Carlos Romero-Muñiz, María Ortega, J.G Vilhena, Rubén Pérez, Juan Carlos Cuevas, Linda A. Zotti,
      Applied Sciences 11 (9),3732 (2021) [URL]
    13. Molecular Electronics,
      Linda A.Zotti,
      Applied Sciences 11 (11), 4828 (2021) [URL]
    14. Can Electron Transport through a Blue-Copper Azurin Be Coherent? An Ab Initio Study,
      Carlos Romero-Muñiz, María Ortega, J.G Vilhena, Ismael Díez-Pérez, Rubén Pérez, Juan Carlos Cuevas, Linda A. Zotti,
      J. Phys. Chem. C 125 3, 1693-1702 (2021) (2021) [URL]
    15. Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference,
      Maximilian Schmidt, Daniel Wassy, Mathias Hermann, M Teresa González, Nicolás Agräit, Linda A Zotti, Birgit Esser, Edmund Leary,
      Chemical Communications 57 ,745-748 (2021) [URL]
    16. Backbone charge transport in double-stranded DNA,
      Roman Zhuravel, Haichao Huang, Georgia Polycarpou, Savvas Polydorides, Phani Motamarri, Liat Katrivas, Dvir Rotem, Joseph Sperling, Linda A Zotti, Alexander B Kotlyar, Juan Carlos Cuevas, Vikram Gavini, Spiros S Skourtis, Danny Porath,
      Nature Nanotechnology15 ,836–840(2020) [URL]
    17. Rational design of an unusual 2D-MOF based on Cu (i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD,
      Antonio A García-Valdivia, Francisco J Romero, Javier Cepeda, Diego P Morales, Nicola Casati, Antonio J Mota, Linda A Zotti, Juan J Palacios, Duane Choquesillo-Lazarte, José F Salmerón, Almudena Rivadeneyra, Antonio Rodríguez-Diéguez,
      Chemical Communications56,9473-9476 (2020)[URL]
    18. Taming quantum interference in single molecule junctions: induction and resonance are key,
      Linda A. Zotti and Edmund Leary,
      Physical Chemistry Chemical Physics, 22,5638-5646 (2020). [URL]
    19. Tuning Structure and Dynamics of Blue Copper Azurin Junctions via Single Amino-Acid Mutations,
      Maria Ortega, JG Vilhena, Linda A Zotti, Ismael Díez-Pérez, Juan Carlos Cuevas, Rubén Pérez,
      Biomolecules, 9,611 (2019). [URL]
    20. Can one define the conductance of amino acids?,
      Linda A Zotti, Beatrice Bednarz, Juan Hurtado-Gallego, Damien Cabosart, Gabino Rubio-Bollinger, Nicolas Agrait, Herre SJ van der Zant,
      Biomolecules, 9,580 (2019). [URL]
    21. Mechanical Deformation and Electronic Structure of a Blue Copper Azurin in a Solid-State Junction,
      Carlos Romero-Muñiz, María Ortega, JG Vilhena, Ismael Diéz-Pérez, Juan Carlos Cuevas, Rubén Pérez, Linda A Zotti,
      Biomolecules, 9,506 (2019). [URL]
    22. A Solid‐State Protein Junction Serves as a Bias‐Induced Current Switch,
      M. Cahen, D., Fereiro, J.A., Kayser, B., Romero-Muñiz, C., Vilan, A., Dolgikh, D.A., Chertkova, R.V., Cuevas, J.C., Zotti, L.A., Pecht, I. and Sheves ,
      Angewandte Chemie International Edition, 58,11852-11859 (2019). [URL]
    23. Doping hepta-alanine with tryptophan: A theoretical study of its effect on the electrical conductance of peptide-based single-molecule junctions,
      Werner M Schosser, Linda A Zotti, Juan Carlos Cuevas, Fabian Pauly,
      The Journal of chemical physics, 150,174705 (2019). [URL
    24. The role of oligomeric gold–thiolate units in single-molecule junctions of thiol-anchored molecules,
      Edmund Leary, Linda A Zotti, Delia Miguel, Irene R Márquez, Lucía Palomino-Ruiz, Juan Manuel Cuerva, Gabino Rubio-Bollinger, M Teresa González, Nicolás Agrait,
      The Journal of Physical Chemistry C,, 122,3211-3218 (2018). [URL]
    25. Peltier cooling in molecular junctions,
      Longji Cui, Ruijiao Miao, Kun Wang, Dakotah Thompson, Linda Angela Zotti, Juan Carlos Cuevas, Edgar Meyhofer, Pramod Reddy,
      Nature nanotechnology, 13,122-127 (2018). [URL]
    26. Ab initio electronic structure calculations of entire blue copper azurins,
      Carlos Romero-Muniz, María Ortega, JG Vilhena, I Díez-Pérez, Juan Carlos Cuevas, Rubén Pérez, Linda A Zotti,
      Physical Chemistry Chemical Physics, 20,30392-30402 (2018).. [URL]
    27. Electron transport through homopeptides: Are they really good conductors?,
      Linda A Zotti, Juan Carlos Cuevas,
      ACS Omega, 3,3778-3785 (2018). [URL]
    28. A simple descriptor for energetics at fcc-bcc metal interfaces,
      Linda A. Zotti, Stefano Sanvito, David D. O’Regan,
      Materials & Design, 142,158–165 (2018). [URL]
    29. Bioengineering a single-protein junction,
      Marta P Ruiz, Albert C Aragonès, Nuria Camarero, JG Vilhena, Maria Ortega, Linda A Zotti, Rubén Pérez, Juan Carlos Cuevas, Pau Gorostiza, Ismael Díez-Pérez,
      Journal of the American Chemical Society, 139,15337-15346 (2017). [URL]
    30. Platinum atomic contacts: From tunneling to contact,
      Linda A Zotti, Rubén Pérez,
      Physical Review B, 95,125438 (2017). [URL]
    31. Toward multiple conductance pathways with heterocycle-based oligo (phenyleneethynylene) derivatives,
      Delia Miguel, Luis Alvarez de Cienfuegos, Ana Martín-Lasanta, Sara P Morcillo, Linda A Zotti, Edmund Leary, Marius Bürkle, Yoshihiro Asai, Rocío Jurado, Diego J Cárdenas, Gabino Rubio-Bollinger, Nicolás Agraït, Juan M Cuerva, M Teresa González,
      Journal of the American Chemical Society, 137,13818-13826 (2015). [URL]
    32. Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ,
      Nazario Martín Raúl García, M. Ángeles Herranz, Edmund Leary, M. Teresa González, Gabino Rubio Bollinger, Marius Bürkle, Linda A. Zotti, Yoshihiro Asai, Fabian Pauly, Juan Carlos Cuevas, Nicolás Agraït,
      Beilstein J.Org.Chem. 11,1068 (2015). . [URL]
    33. Resonant transport and electrostatic effects in single-molecule electrical junctions,
      Brooke, Carly, Andrea Vezzoli, Simon J. Higgins, Linda A. Zotti, J. J. Palacios, and Richard J. Nichols,
      Physical Review B, 91,195438 (2015).[URL]
    34. Heat dissipation and its relation to thermopower in single-molecule junctions,
      Linda A Zotti, Marius Bürkle, Fabian Pauly, Woochul Lee, Kyeongtae Kim, Wonho Jeong, Yoshihiro Asai, Pramod Reddy, Juan Carlos Cuevas,
      New Journal of Physics, 16,015004 (2014).[URL]
    35. Heat dissipation in atomic-scale junctions,
      Woochul Lee, Kyeongtae Kim, Wonho Jeong, Linda Angela Zotti, Fabian Pauly, Juan Carlos Cuevas, Pramod Reddy,
      Nature, 498,209 (2013). [URL]
    36. A Molecular Platinum Cluster Junction: A Single-Molecule Switch,
      Linda A Zotti, Edmund Leary, Maria Soriano, Juan Carlos Cuevas, Juan Jose Palacios,
      J. Am. Chem. Soc., 135,2052 (2013). [URL]
    37. Carbon-fiber tips for scanning probe microscopes and molecular electronics experiments,
      Gabino Rubio-Bollinger, Andres Castellanos-Gomez, Stefan Bilan, Linda A Zotti, Carlos R Arroyo, Nicolás Agraït, Juan Carlos Cuevas,
      Nanoscale research letters, 7,1-4 (2012).[URL]
    38. Ab initio study of the thermopower of biphenyl-based single-molecule junctions,
      Marius Bürkle, Linda A Zotti, Janne K Viljas, David Vonlanthen, Artem Mishchenko, Thomas Wandlowski, Marcel Mayor, Gerd Schön, Fabian Pauly,
      Physical review b, 86,115304 (2012).[URL]
    39. Theoretical study of the charge transport through C 60-based single-molecule junctions,
      Stefan Bilan, Linda A Zotti, Fabian Pauly, Juan Carlos Cuevas,
      Physical Review B, 85,205403 (2012). [URL]
    40. Electronic transport through single noble gas atoms,
      Linda A Zotti, Marius Bürkle, Yannick J Dappe, Fabian Pauly, Juan Carlos Cuevas,
      Physical Review B, 84,193404 (2011). [URL]
    41. Carbon tips as electrodes for single-molecule junctions,
      Andres Castellanos-Gomez, Stefan Bilan, Linda A Zotti, Carlos R Arroyo, Nicolás Agraït, Juan Carlos Cuevas, Gabino Rubio-Bollinger,
      Applied Physics Letters, 99,12310 (2011).[URL]
    42. Single-molecule junctions based on nitrile-terminated biphenyls: a promising new anchoring group,
      Artem Mishchenko, Linda A Zotti, David Vonlanthen, Marius Bürkle, Fabian Pauly, Juan Carlos Cuevas, Marcel Mayor, Thomas Wandlowski,
      Journal of the American Chemical Society, 133,184-187 (2011). [URL
    43. Revealing the role of anchoring groups in the electrical conduction through single‐molecule junctions,
      Linda A Zotti, Thomas Kirchner, Juan‐Carlos Cuevas, Fabian Pauly, Thomas Huhn, Elke Scheer, Artur Erbe,
      Small, 6,1529-1535 (2010).[URL]
    44. Comment on “Chemical versus van der Waals Interaction: The Role of the Heteroatom in the Flat Absorption of Aromatic Molecules C 6 H 6, C 5 NH 5, and C 4 N 2 H 4 on the Cu (110) Surface”,
      W Ji, LA Zotti, H-J Gao, WA Hofer,
      Physical review letters,104,099703 (2010).[URL]
    45. Adsorption of benzene, fluorobenzene and meta‐di‐fluorobenzene on Cu (110): A computational study,
      LA Zotti, G Teobaldi, K Palotás, Wei Ji, H‐J Gao, WA Hofer,
      Journal of computational chemistry, 29,1589-1595 (2008).[URL]
    46. Dipole-directed assembly of lines of 1, 5-dichloropentane on silicon substrates by displacement of surface charge,
      KR Harikumar, Tingbin Lim, IAIN R McNAB, John C Polanyi, Linda Zotti, Serge Ayissi, Werner A Hofer,
      Nature Nanotechnology, 3,222-228 (2008).[URL]
    47. Self-assembly of semifluorinated -alkanethiols on {111}-oriented Au investigated with scanning tunneling microscopy experiment and theory,
      S N Patole, C J Baddeley, D O’Hagan, NV Richardson, F Zerbetto, LA Zotti, G. Teobaldi, W A Hofer,
      J. Chem. Phys., 127,024702 (2007). [URL]
    48. Ab-initio calculations and STM observations on tetrapyridyl and Fe (II)-tetrapyridyl-porphyrin molecules on Ag (1 1 1),
      LA Zotti, G Teobaldi, WA Hofer, W Auwärter, A Weber-Bargioni, JV Barth,
      Surface science, 601,2409-2414 (2007).[URL]
    49. Electron scattering in scanning probe microscopy experiments,
      Linda A Zotti, Werner A Hofer, Franz J Giessibl,
      Chemical physics letters, 420,177-182 (2006). [URL]
    50. Poly (phenyleneethynylene) polymers bearing glucose substituents as promising active layers in enantioselective chemiresistors,
      MC Tanese, L Torsi, N Cioffi, LA Zotti, D Colangiuli, GM Farinola, F Babudri, F Naso, MM Giangregorio, L Sabbatini, PG Zambonin,
      Sensors and Actuators B: Chemical, 100,17-21 (2004).[URL]
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