Publications

2019

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  Thermal bridging of graphene nanosheets via covalent molecular junctions: A non-equilibrium Green functions-density functional tight-binding study

  Nano Research 12, 4, 791 (2019).

  D. Martinez Gutierrez, A. Di Pierro, A. Pecchia, L. M. Sandonas, R. Gutierrez, M. Bernal, B. Mortazavi, G. Cuniberti, G. Saracco, and A. Fina

  https://doi.org/10.1007/s12274-019-2290-2
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  Green function, quasi-classical Langevin and Kubo-Greenwood methods in quantum thermal transport

  Journal of Physics: Condensed Matter 31, 273003 (2019).

  H. Sevinçli, S. Roche, G. Cuniberti, M. Brandbyge, R. Gutierrez, and L. M. Sandonas

  https://doi.org/10.1088/1361-648X/ab119a
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  Impact of device geometry on electron and phonon transport in graphene nanorings

  Physical Review B 99, 165428 (2019).

  M. Saiz-Bretín, L. Medrano Sandonas, R. Gutierrez, G. Cuniberti, and F. Domínguez-Adame

  https://doi.org/10.1103/PhysRevB.99.165428
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  Mapping Conformational Changes in a Self-Assembled Two-Dimensional Molecular Network by Statistical Analysis of Conductance Images

  Physical Review Applied 11, 034070 (2019).

  B. Naydenov, S. Torsney, A. S. Bonilla, A. Gualandi, L. Mengozzi, P. G. Cozzi, R. Gutierrez, G. Cuniberti, and J. J. Boland

  https://doi.org/10.1103/PhysRevApplied.11.034070
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  Dephasing in a Molecular Junction Viewed from a Time-Dependent and a Time-Independent Perspective

  Journal of Physical Chemistry C 123, 9590 (2019).

  H. Rahman, P. Karasch, D. A. Ryndyk, T. Frauenheim, and U. Kleinekathöfer

  https://doi.org/10.1021/acs.jpcc.9b00955
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  Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths

  Journal of Physical Chemistry C 123, 9680 (2019).

  L. Medrano Sandonas, Á. Rodríguez Méndez, R. Gutierrez, J. M. Ugalde, V. Mujica, and G. Cuniberti

  https://doi.org/10.1021/acs.jpcc.8b11879
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  Electron Transport through Self-Assembled Monolayers of Tripeptides

  Journal of Physical Chemistry C 14, 9600-9608 (2019).

  E. Mervinetsky, I. Alshanski, S. Lenfant, D. Guerin, L. Medrano Sandonas, A. Dianat, R. Gutierrez, G. Cuniberti, M. Hurevich, S. Yitzchaik, and D. Vuillaume

  https://doi.org/10.1021/acs.jpcc.9b01082
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  Combined molecular dynamics and phase-field modelling of crack propagation in defective graphene

  Computational Materials Science 163, 117-126 (2019).

  A. C. Hansen-Dörr, L. Wilkens, A. Croy, A. Dianat, G. Cuniberti, and M. Kästner

  https://doi.org/10.1016/j.commatsci.2019.03.028
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  Current-induced rotations of molecular gears

  Journal of Physics Communication 3, 2 (2019).

  H. H. Lin, A. Croy, R. Gutierrez, C. Joachim, and G. Cuniberti

  https://doi.org/10.1088/2399-6528/ab0731
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  ITO Work Function Tunability by Polarizable Chromophore Monolayers

  Langmuir 35, 2997 (2019).

  A. Gankin, E. Mervinetsky, I. Alshanski, J. Buchwald, A. Dianat, R. Gutierrez, G. Cuniberti, R. Sfez, and S. Yitzchaik

  https://doi.org/10.1021/acs.langmuir.8b03943
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  Hybrid Silicon Nanowire Devices and Their Functional Diversity

  Advanced Science 6, 15 (2019).

  L. Baraban, B. Ibarlucea, E. Baek, and G. Cuniberti

  https://doi.org/10.1002/advs.201900522
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  Quantum phonon transport in nanomaterials: Combining atomistic with non-equilibrium green's function techniques

  Entropy 21, 8 (2019).

  L. M. Sandonas, R. Gutierrez, A. Pecchia, A. Croy, and G. Cuniberti

  https://doi.org/10.3390/e21080735
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  Doping engineering of thermoelectric transport in BNC heteronanotubes

  Physical Chemistry Chemical Physics 21, 4 (2019).

  L. Medrano Sandonas, G. Cuba-Supanta, R. Gutierrez, C. V. Landauro, J. Rojas-Tapia, and G. Cuniberti

  https://doi.org/10.1039/c8cp05592k
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  Immobilization of detonation nanodiamonds on macroscopic surfaces

  Applied Sciences (Switzerland) 9, 6 (2019).

  S. Balakin, N. R. Dennison, B. Klemmed, J. Spohn, G. Cuniberti, L. Römhildt, and J. Opitz

  https://doi.org/10.3390/app9061064
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  On-surface synthesis of nitrogen-doped nanographenes with 5-7 membered rings

  Chemical Communications 55, 23 (2019).

  D. Skidin, F. Eisenhut, M. Richter, S. Nikipar, J. Krüger, D. A. Ryndyk, R. Berger, G. Cuniberti, X. Feng, and F. Moresco

  https://doi.org/10.1039/C9CC00276F
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  Recapitulating bone development events in a customised bioreactor through interplay of oxygen tension, medium pH, and systematic differentiation approaches

  Journal of Tissue Engineering and Regenerative Medicine 13, 1672–1684 (2019).

  P. S. Lee, R. Hess, J. Friedrichs, V. Haenchen, H. Eckert, G. Cuniberti, D. Rancourt, R. Krawetz, V. Hintze, M. Gelinsky, and D. Scharnweber

  https://doi.org/10.1002/term.2921
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  Doping engineering of thermoelectric transport in BNC heteronanotubes

  Physical Chemistry Chemical Physics 21, 1904 (2019).

  L. Medrano Sandonas, G. Cuba-Supanta, R. Gutierrez, C. V. Landauro, J. Rojas-Tapia, and G. Cuniberti

  https://doi.org/10.1039/C8CP05592K
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  Colloidal PbSe Nanoplatelets of Varied Thickness with Tunable Optical Properties

  Chemistry of Materials 31, 3803-3811 (2019).

  T. Galle, M. Samadi Khoshkhoo, B. Martin-Garcia, C. Meerbach, V. Sayevich, A. Koitzsch, V. Lesnyak, and A. Eychmüller

  https://doi.org/10.1021/acs.chemmater.9b01330
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  Stabilization of aqueous graphene dispersions utilizing a biocompatible dispersant: a molecular dynamics study

  Physical Chemistry Chemical Physics 21, 24007 (2019).

  S. Huang, A. Croy, V. Bezugly, and G. Cuniberti

  https://doi.org/10.1039/c9cp04742e
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  Effects of external mechanical or magnetic fields and defects on electronic and transport properties of graphene

  Materials Today: Proceedings 35, 523 (2019).

  T. M. Radchenko, V. A. Tatarenko, and G. Cuniberti

  https://doi.org/10.1016/j.matpr.2019.10.014