André Mang, Katawoura Beltako, Besa Kadriu, Michael Linseis, Fabian Pauly und Rainer F. Winter
Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal–metal bond order
Nanoscale , (im Druck)
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Lukas Krieger, Gert-Ludwig Ingold und Fabian Pauly
Classifying destructive quantum interference in molecular junctions: toward molecular quantum rulers
Journal of Chemical Physics 163, 024707 (2025)
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Manas Sharma, Yannick J. Franzke, Christof Holzer, Fabian Pauly und Marek Sierka
Density functional theory for molecular and periodic systems in TURBOMOLE: theory, implementation, and applications
The Journal of Physical Chemistry A 129, 9062-9083 (2025)
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Matthias Blaschke und Fabian Pauly
Revealing molecule-internal mechanisms that control phonon heat transport through single-molecule junctions by a genetic algorithm
ACS Nano 19, 32093-32107 (2025)
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Juan Hurtado-Gallego, Sebastian van der Poel, Matthias Blaschke, Almudena Gallego, Chun-Wei Hsu, Rubén López-Nebreda, Marcel Mayor, Fabian Pauly, Nicolas Agrait und Herre S. J. van der Zant
Benchmarking break-junction techniques: electric and thermoelectric characterization of naphthalenophanes
Nanoscale 16, 10751-10759 (2024)
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Yannick J. Franzke, Werner M. Schosser und Fabian Pauly
Efficient treatment of relativistic effects with periodic density functional methods: energies, gradients, and stress tensors
Physical Review B 109, 165144 (2024)
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Anja Bauer, Tobias Birk, Fabian Paschke, Andreas Fuhrberg, Josefine Diegel, Ann‐Kathrin Becherer, Lars Vogelsang, Markus Maier, Werner M. Schosser, Fabian Pauly, Oded Zilberberg, Rainer F. Winter und Mikhail Fonin
Fully reprogrammable 2D array of multistate molecular switching units
Advanced Materials 36, 2401662 (2024)
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Shen Yan, Yuxuan Luan, Hailiang Xu, Hao Fan, León Martin, Arvind Kumar Gupta, Heiner Linke, Edgar Meyhofer, Pramod Reddy, Fabian Pauly und Kenneth Wärnmark
How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport
Nanoscale 15, 13905-13914 (2024)
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Sebastiaan van der Poel, Juan Hurtado-Gallego, Matthias Blaschke, Rubén López-Nebreda, Almudena Gallego, Marcel Mayor, Fabian Pauly, Herre S. J. van der Zant und Nicolás Agraït
Mechanoelectric sensitivity reveals destructive quantum interference in single-molecule junctions
Nature Communications 15, 10097 (2024)
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Matthias Blaschke und Fabian Pauly
Designing mechanosensitive molecules from molecular building blocks: a genetic algorithm-based approach
The Journal of Chemical Physics 159, 024126 (2023)
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Hailiang Xu, Hao Fan, Yuxuan Luan, Shen Yan, León Martin, Ruijiao Miao, Fabian Pauly, Edgar Meyhofer, Pramod Reddy, Heiner Linke und Kenneth Wärnmark
Electrical conductance and thermopower of β-substituted porphyrin molecular junctions ─ synthesis and transport
Journal of the American Chemical Society 145, 23541-23555 (2023)
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Markus Ring, Fabian Pauly, Peter Nielaba und Elke Scheer
Simulating bistable current-induced switching of metallic atomic contacts by electron-vibration scattering
Physical Review B 108, 014305 (2023)
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André Mang, Nils Rotthowe, Katawoura Beltako, Michael Linseis, Fabian Pauly und Rainer F. Winter
Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs
Nanoscale 15, 5305-5316 (2023)
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Jacob Senkpiel, Robert Drost, Jan C. Klöckner, Markus Etzkorn, Joachim Ankerhold, Juan Carlos Cuevas, Fabian Pauly, Klaus Kern und Christian R. Ast
Extracting transport channel transmissions in scanning tunneling microscopy using superconducting excess current
Physical Review B 105, 165401 (2022)
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Chunwei Hsu, Werner M. Schosser, Patrick Zwick, Diana Dulić, Marcel Mayor, Fabian Pauly und Herre S. J. van der Zant
Mechanical compression in cofacial porphyrin cyclophane pincers
Chemical Science 13, 8017-8024 (2022)
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Werner M. Schosser, Chunwei Hsu, Patrick Zwick, Katawoura Beltako, Diana Dulić, Marcel Mayor, Herre S. J. van der Zant und Fabian Pauly
Mechanical conductance tunability of a porphyrin–cyclophane single-molecule junction
Nanoscale 14, 984-992 (2022)
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Sangkha Borah, Dinesh Yadav, Maxim Trushin und Fabian Pauly
Phonon-assisted carrier cooling in h-BN/graphene van der Waals heterostructures
Physical Review B 105, 245419 (2022)
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F. Müller, P. Nielaba, J. C. Cuevas und Fabian Pauly
Phononic heat conductance of gold atomic contacts: coherent versus incoherent transport
Physical Review B 106, 195401 (2022)
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Felicitas Hellbach, Fabian Pauly, Wolfgang Belzig und Gianluca Rastelli
Quantum-correlated photons generated by nonlocal electron transport
Physical Review B 105, L241407 (2022)
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Yuji Isshiki, Dongzhe Li, Manabu Kiguchi, Tomoaki Nishino, Fabian Pauly und Shintaro Fujii
Structural asymmetry of metallic single-atom contacts detected by current–voltage characteristics
ACS Applied Materials & Interfaces 14, 11919-11926 (2022)
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D. Yadav, Fabian Pauly und Maxim Trushin
Charge-carrier thermalization in bulk and monolayer CdTe from first principles
Physical Review B 103, 125113 (2021)
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Ksenia Reznikova, Chunwei Hsu, Werner M. Schosser, Almudena Gallego, Katawoura Beltako, Fabian Pauly, Herre S. J. van der Zant und Marcel Mayor
Substitution pattern controlled quantum interference in [2.2]paracyclophane-based single-molecule junctions
Journal of the American Chemical Society 143, 13944-13951 (2021)
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J. Senkpiel, J. C. Klöckner, M. Etzkorn, S. Dambach, B. Kubala, W. Belzig, A. Levy Yeyati, J. C. Cuevas, Fabian Pauly, J. Ankerhold, C. R. Ast und K. Kern
Dynamical Coulomb blockade as a local probe for quantum transport
Physical Review Letters 124, 156803 (2020)
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Shai Mangel, Maxim Skripnik, Katharina Polyudov, Christian Dette, Tobias Wollandt, Paul Punke, Dongzhe Li, Roberto Urcuyo, Fabian Pauly, Soon Jung Jung und Klaus Kern
Electric-field control of single-molecule tautomerization
Physical Chemistry Chemical Physics 22, 6370-6375 (2020)
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Dongzhe Li, Fabian Pauly und Alexander Smogunov
Giant anisotropic magnetoresistance through a tilted molecular π-orbital
Physical Review Research 2, 033184 (2020)
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Eric Linardy, Dinesh Yadav, Daniele Vella, Ivan A. Verzhbitskiy, Kenji Watanabe, Takashi Taniguchi, Fabian Pauly, Maxim Trushin und Goki Eda
Harnessing exciton–exciton annihilation in two-dimensional semiconductors
Nano Letters 20, 1647-1653 (2020)
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D. Yadav, M. Trushin und Fabian Pauly
Thermalization of photoexcited carriers in two-dimensional transition metal dichalcogenides and internal quantum efficiency of van der Waals heterostructures
Physical Review Research 2, 043051 (2020)
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A. Bauer, M. Maier, W. Schosser, J. Diegel, F. Paschke, Y. S. Dedkov, Fabian Pauly, R. Winter und M. Fonin
Tip-induced inversion of the chirality of a molecule's adsorption potential probed by the switching directionality
Advanced Materials 32, 1907390 (2020)
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Markus Ring, David Weber, Patrick Haiber, Fabian Pauly, Peter Nielaba und Elke Scheer
Voltage-induced rearrangements in atomic-size contacts
Nano Letters 20, 5773-5778 (2020)
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Arne Budweg, Dinesh Yadav, Alexander Grupp, Alfred Leitenstorfer, Maxim Trushin, Fabian Pauly und Daniele Brida
Control of excitonic absorption by thickness variation in few-layer GaSe
Physical Review B 100, 045404 (2019)
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Werner M. Schosser, Linda A. Zotti, Juan Carlos Cuevas und Fabian Pauly
Doping hepta-alanine with tryptophan: a theoretical study of its effect on the electrical conductance of peptide-based single-molecule junctions
The Journal of Chemical Physics 150, 174705 (2019)
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Valentina Sacchetti, J. Ramos-Soriano, Beatriz M. Illescas, M. Teresa González, Dongzhe Li, Lucía Palomino-Ruiz, Irene R. Márquez, Edmund Leary, Gabino Rubio-Bollinger, Fabian Pauly, Nicolás Agraït und Nazario Martín
Effect of charge-assisted hydrogen bonds on single-molecule electron transport
The Journal of Physical Chemistry C 123, 29386-29393 (2019)
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S. G. Bahoosh, M. A. Karimi, W. Belzig, E. Scheer und Fabian Pauly
Influence of electron-vibration interactions on electronic current noise of atomic and molecular junctions
preprint (2019)
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Andreas Irmler und Fabian Pauly
Multipole-based distance-dependent screening of Coulomb integrals
The Journal of Chemical Physics 151, 084111 (2019)
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Dinesh Yadav, Maxim Trushin und Fabian Pauly
Photocarrier thermalization bottleneck in graphene
Physical Review B 99, 155410 (2019)
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D. O. Möhrle, F. Müller, M. Matt, P. Nielaba und Fabian Pauly
Statistical analysis of electronic and phononic transport simulations of metallic atomic contacts
Physical Review B 100, 125433 (2019)
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Longji Cui, Sunghoon Hur, Zico Alaia Akbar, Jan C. Klöckner, Wonho Jeong, Fabian Pauly, Sung-Yeon Jang, Pramod Reddy und Edgar Meyhofer
Thermal conductance of single-molecule junctions [Letter]
Nature 572, 628-633 (2019)
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Jeongmin Koo, Yeonsik Jang, León Martin, Dongku Kim, Hyunhak Jeong, Keehoon Kang, Woocheol Lee, Junwoo Kim, Wang-Taek Hwang, Dong Xiang, Elke Scheer, Mikhail Kabdulov, Thomas Huhn, Fabian Pauly und Takhee Lee
Unidirectional real-time photoswitching of diarylethene molecular monolayer junctions with multilayer graphene electrodes
ACS Applied Materials & Interfaces 11, 11645-11653 (2019)
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J. C. Klöckner und Fabian Pauly
Variability of the thermal conductance of gold-alkane-gold single-molecule junctions studied using ab-initio and molecular dynamics approaches
preprint (2019)
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Samuel Bouvron, Romain Maurand, Alexander Graf, Philipp Erler, Luca Gragnaniello, Maxim Skripnik, Dirk Wiedmann, Clara Engesser, Cornelia Nef, Wangyang Fu, Christian Schönenberger, Fabian Pauly und Mikhail Fonin
Charge transport in a single molecule transistor probed by scanning tunneling microscopy
Nanoscale 10, 1487-1493 (2018)
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Ruijiao Miao, Hailiang Xu, Maxim Skripnik, Longji Cui, Kun Wang, Kim G. L. Pedersen, Martin Leijnse, Fabian Pauly, Kenneth Wärnmark, Edgar Meyhofer, Pramod Reddy und Heiner Linke
Influence of quantum interference on the thermoelectric properties of molecular junctions
Nano Letters 18, 5666-5672 (2018)
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Davide Stefani, Kevin J. Weiland, Maxim Skripnik, Chunwei Hsu, Mickael L. Perrin, Marcel Mayor, Fabian Pauly und Herre S. J. van der Zant
Large conductance variations in a mechanosensitive single-molecule junction
Nano Letters 18, 5981-5988 (2018)
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Simon Lamowski, Charlie-Ray Mann, Felicitas Hellbach, Eros Mariani, Guillaume Weick und Fabian Pauly
Plasmon polaritons in cubic lattices of spherical metallic nanoparticles
Physical Review B 97, 125409 (2018)
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Andreas Irmler, Asbjörn M. Burow und Fabian Pauly
Robust periodic fock exchange with atom-centered gaussian basis sets
Journal of Chemical Theory and Computation 14, 4567-4580 (2018)
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J. C. Klöckner, J. C. Cuevas und Fabian Pauly
Transmission eigenchannels for coherent phonon transport
Physical Review B 97, 155432 (2018)
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Lukas Gerhard, Kevin Edelmann, Jan Homberg, Michal Valášek, Safa G. Bahoosh, Maya Lukas, Fabian Pauly, Marcel Mayor und Wulf Wulfhekel
An electrically actuated molecular toggle switch
Nature Communications 8, 14672 (2017)
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Youngsang Kim, Safa G Bahoosh, Dmytro Sysoiev, Thomas Huhn, Fabian Pauly und Elke Scheer
Inelastic electron tunneling spectroscopy of difurylethene-based photochromic single-molecule junctions
Beilstein Journal of Nanotechnology 8, 2606-2614 (2017)
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F.-Q. Xie, X.-H. Lin, A. Gross, F. Evers, Fabian Pauly und Th. Schimmel
Multiplicity of atomic reconfigurations in an electrochemical Pb single-atom transistor
Physical Review B 95, 195415 (2017)
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Longji Cui, Wonho Jeong, Sunghoon Hur, Manuel Matt, Jan C. Klöckner, Fabian Pauly, Peter Nielaba, Juan Carlos Cuevas, Edgar Meyhofer und Pramod Reddy
Quantized thermal transport in single-atom junctions
Science 355, 1192-1195 (2017)
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J. C. Klöckner, R. Siebler, J. C. Cuevas und Fabian Pauly
Thermal conductance and thermoelectric figure of merit of C60-based single-molecule junctions: electrons, phonons, and photons
Physical Review B 95, 245404 (2017)
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J. C. Klöckner, M. Matt, P. Nielaba, Fabian Pauly und J. C. Cuevas
Thermal conductance of metallic atomic-size contacts: phonon transport and Wiedemann-Franz law
Physical Review B 96, 205405 (2017)
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J. C. Klöckner, J. C. Cuevas und Fabian Pauly
Tuning the thermal conductance of molecular junctions with interference effects
Physical Review B 96, 245419 (2017)
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Manuel Matt, Jan C. Klöckner, Fabian Pauly und Peter Nielaba
Wärmefluss durch einzelne Atome
Physik in unserer Zeit 48, 110-111 (2017)
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Karthiga Kanthasamy, Markus Ring, Dennes Nettelroth, Christoph Tegenkamp, Holger Butenschön, Fabian Pauly und Herbert Pfnür
Charge transport through ferrocene 1,1'-diamine single-molecule junctions
Small 12, 4849-4856 (2016)
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M. A. Karimi, S. G. Bahoosh, M. Valášek, M. Bürkle, M. Mayor, Fabian Pauly und E. Scheer
Identification of the current path for a conductive molecular wire on a tripodal platform
Nanoscale 8, 10582-10590 (2016)
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J. C. Klöckner, M. Bürkle, J. C. Cuevas und Fabian Pauly
Length dependence of the thermal conductance of alkane-based single-molecule junctions: an ab initio study
Physical Review B 94, 205425 (2016)
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Stefan Scheerer, Michael Linseis, Evelyn Wuttke, Sabrina Weickert, Malte Drescher, Oliver Tröppner, Ivana Ivanović-Burmazović, Andreas Irmler, Fabian Pauly und Rainer F. Winter
Redox-active tetraruthenium macrocycles built from 1,4-divinylphenylene-bridged diruthenium complexes
Chemistry 22, 9574-9590 (2016)
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M. A. Karimi, S. G. Bahoosh, M. Herz, R. Hayakawa, Fabian Pauly und E. Scheer
Shot noise of 1,4-benzenedithiol single-molecule junctions
Nano Letters 16, 1803-1807 (2016)
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Jianxi Liu, Tobias Wächter, Andreas Irmler, Peter G. Weidler, Hartmut Gliemann, Fabian Pauly, Veronica Mugnaini, Michael Zharnikov und Christof Wöll
Electric transport properties of surface-anchored metal-organic frameworks and the effect of ferrocene loading
ACS Applied Materials & Interfaces 7, 9824-9830 (2015)
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Marius Bürkle, Thomas J. Hellmuth, Fabian Pauly und Yoshihiro Asai
First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions
Physical Review B 91, 165419 (2015)
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Philipp Erler, Peter Schmitt, Nicole Barth, Andreas Irmler, Samuel Bouvron, Thomas Huhn, Ulrich Groth, Fabian Pauly, Luca Gragnaniello und Mikhail Fonin
Highly ordered surface self-assembly of Fe4 single molecule magnets
Nano Letters 15, 4546-4552 (2015)
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Charalambos Evangeli, Manuel Matt, Laura Rincón-García, Fabian Pauly, Peter Nielaba, Gabino Rubio-Bollinger, Juan Carlos Cuevas und Nicolás Agraït
Quantum thermopower of metallic atomic-size contacts at room temperature
Nano Letters 15, 1006-1011 (2015)
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Floyd W. Hilty, Andrew K. Kuhlman, Fabian Pauly und Alexey T. Zayak
Raman scattering from a molecule–semiconductor interface tuned by an electric field: density functional theory approach
The Journal of Physical Chemistry C 119, 23113-23118 (2015)
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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 und Nazario Martín
Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ
Beilstein Journal of Organic Chemistry 11, 1068-1078 (2015)
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Marius Bürkle, Fabian Pauly und Yoshihiro Asai
Thermoelectric transport from first-principles: biphenyl-based single-molecule junctions
in: Materials for Energy Infrastructure, 43-51 (Springer: Singapore, 2015)
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L A Zotti, M Bürkle, Fabian Pauly, W Lee, K Kim, W Jeong, Y Asai, P Reddy und J C Cuevas
Heat dissipation and its relation to thermopower in single-molecule junctions
New Journal of Physics 16, 015004 (2014)
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R. Chen, M. Matt, Fabian Pauly, P. Nielaba, J. C. Cuevas und D. Natelson
Shot noise variation within ensembles of gold atomic break junctions at room temperature
Journal of Physics: Condensed Matter 26, 474204 (2014)
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C. Schirm, M. Matt, Fabian Pauly, J. C. Cuevas, P. Nielaba und E. Scheer
A current-driven single-atom memory
Nature Nanotechnology 8, 645-648 (2013)
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M. Bürkle, T. Böhler, J. K. Viljas, A. Edtbauer, F. Weigend, G. Schön, E. Scheer und Fabian Pauly
Electron-vibration interactions in charge transport through metallic single-atom contacts
in: Advances in nanotechnology - physics, chemistry, and biology of functional nanostructures: results of the third research programme Kompetenznetz "Funktionelle Nanostrukturen", hrsg. von Thomas Schimmel, Hilbert von Löhneysen und Matthias Barczewski, (Schriftenreihe der Baden-Württemberg Stiftung ; 69) 221-255 (Baden-Württemberg-Stiftung: Stuttgart, 2013)
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Woochul Lee, Kyeongtae Kim, Wonho Jeong, Linda Angela Zotti, Fabian Pauly, Juan Carlos Cuevas und Pramod Reddy
Heat dissipation in atomic-scale junctions [Letter]
Nature 498, 209-212 (2013)
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Marius Bürkle, Janne K. Viljas, Thomas J. Hellmuth, Elke Scheer, Florian Weigend, Gerd Schön und Fabian Pauly
Influence of vibrations on electron transport through nanoscale contacts
Physica Status Solidi B 250, 2468-2480 (2013)
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Michal Vadai, Nirit Nachman, Matan Ben-Zion, Marius Bürkle, Fabian Pauly, Juan Carlos Cuevas und Yoram Selzer
Plasmon-induced conductance enhancement in single-molecule junctions
The Journal of Physical Chemistry Letters 4, 2811-2816 (2013)
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M. Bürkle, L. A. Zotti, J. K. Viljas, D. Vonlanthen, A. Mishchenko, T. Wandlowski, M. Mayor, G. Schön und Fabian Pauly
Ab initio study of the thermopower of biphenyl-based single-molecule junctions
Physical Review B 86, 115304 (2012)
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Youngsang Kim, Thomas J. Hellmuth, Dmytro Sysoiev, Fabian Pauly, Torsten Pietsch, Jannic Wolf, Artur Erbe, Thomas Huhn, Ulrich Groth, Ulrich E. Steiner und Elke Scheer
Charge transport characteristics of diarylethene photoswitching single-molecule junctions
Nano Letters 12, 3736-3742 (2012)
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M. Bürkle, J. K. Viljas, D. Vonlanthen, A. Mishchenko, G. Schön, M. Mayor, T. Wandlowski und Fabian Pauly
Conduction mechanisms in biphenyl dithiol single-molecule junctions
Physical Review B 85, 075417 (2012)
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S. Bilan, L. A. Zotti, Fabian Pauly und J. C. Cuevas
Theoretical study of the charge transport through C60-based single-molecule junctions
Physical Review B 85, 205403 (2012)
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Youngsang Kim, Thomas Julian Hellmuth, Marius Bürkle, Fabian Pauly und Elke Scheer
Characteristics of amine-ended and thiol-ended alkane single-molecule junctions revealed by inelastic electron tunneling spectroscopy
ACS Nano 5, 4104-4111 (2011)
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L. A. Zotti, M. Bürkle, Y. J. Dappe, Fabian Pauly und J. C. Cuevas
Electronic transport through single noble gas atoms
Physical Review B 84, 193404 (2011)
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Fabian Pauly, J. K. Viljas, M. Bürkle, M. Dreher, P. Nielaba und J. C. Cuevas
Molecular dynamics study of the thermopower of Ag, Au, and Pt nanocontacts
Physical Review B 84, 195420 (2011)
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Douglas Natelson, Daniel R. Ward, Falco Hüser, Fabian Pauly, Juan Carlos Cuevas, David A. Corley und James M. Tour
Plasmons in nanoscale metal junctions: optical rectification and thermometry
in: Plasmonics: metallic nanostructures and their optical properties IX: proceedings of the SPIE NANOSCIENCE + ENGINEERING, 21-25 August 2011, San Diego, California, United States, hrsg. von Mark I. Stockman, 80961O (SPIE: Bellingham, WA, 2011)
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Artem Mishchenko, Linda A. Zotti, David Vonlanthen, Marius Bürkle, Fabian Pauly, Juan Carlos Cuevas, Marcel Mayor und Thomas Wandlowski
Single-molecule junctions based on nitrile-terminated biphenyls: a promising new anchoring group
Journal of the American Chemical Society 133, 184-187 (2011)
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F.-Q. Xie, F. Hüser, Fabian Pauly, Ch. Obermair, G. Schön und Th. Schimmel
Conductance of atomic-scale Pb contacts in an electrochemical environment
Physical Review B 82, 075417 (2010)
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Artem Mishchenko, David Vonlanthen, Velimir Meded, Marius Bürkle, Chen Li, Ilya V. Pobelov, Alexei Bagrets, Janne K. Viljas, Fabian Pauly, Ferdinand Evers, Marcel Mayor und Thomas Wandlowski
Influence of conformation on conductance of biphenyl-dithiol single-molecule contacts
Nano Letters 10, 156-163 (2010)
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Daniel R. Ward, Falco Hüser, Fabian Pauly, Juan Carlos Cuevas und Douglas Natelson
Optical rectification and field enhancement in a plasmonic nanogap
Nature Nanotechnology 5, 732-736 (2010)
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Linda A. Zotti, Thomas Kirchner, Juan-Carlos Cuevas, Fabian Pauly, Thomas Huhn, Elke Scheer und Artur Erbe
Revealing the role of anchoring groups in the electrical conduction through single-molecule junctions
Small 6, 1529-1535 (2010)
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Fabian Pauly, J K Viljas, U Huniar, M Häfner, S Wohlthat, M Bürkle, J C Cuevas und G Schön
Cluster-based density-functional approach to quantum transport through molecular and atomic contacts
New Journal of Physics 10, 125019 (2008)
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Fabian Pauly, J. K. Viljas, J. C. Cuevas und Gerd Schön
Density-functional study of tilt-angle and temperature-dependent conductance in biphenyl dithiol single-molecule junctions
Physical Review B 77, 155312 (2008)
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M. Kiguchi, O. Tal, S. Wohlthat, Fabian Pauly, M. Krieger, D. Djukic, J. C. Cuevas und J. M. van Ruitenbeek
Highly conductive molecular junctions based on direct binding of benzene to platinum electrodes
Physical Review Letters 101, 046801 (2008)
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Fabian Pauly, J. K. Viljas und J. C. Cuevas
Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives: a density functional study
Physical Review B 78, 035315 (2008)
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J. K. Viljas, Fabian Pauly und J. C. Cuevas
Modeling elastic and photoassisted transport in organic molecular wires: length dependence and current-voltage characteristics
Physical Review B 77, 155119 (2008)
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Sören Wohlthat, Fabian Pauly und Jeffrey R. Reimers
The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes
Chemical Physics Letters 454, 284-288 (2008)
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M. Häfner, J. K. Viljas, D. Frustaglia, Fabian Pauly, M. Dreher, P. Nielaba und J. C. Cuevas
Theoretical study of the conductance of ferromagnetic atomic-sized contacts
Physical Review B 77, 104409 (2008)
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Sören Wohlthat, Fabian Pauly und Jeffrey R Reimers
Two-dimensional, phenanthroline-based, extended π-conjugated molecules for single-molecule conduction
Journal of Physics: Condensed Matter 20, 295208 (2008)
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S. Wohlthat, Fabian Pauly, J. K. Viljas, J. C. Cuevas und Gerd Schön
Ab initio study of charge transport through single oxygen molecules in atomic aluminum contacts
Physical Review B 76, 075413 (2007)
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J. K. Viljas, Fabian Pauly und J. C. Cuevas
Photoconductance of organic single-molecule contacts
Physical Review B 76, 033403 (2007)
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Fabian Pauly, M. Dreher, J. K. Viljas, M. Häfner, J. C. Cuevas und P. Nielaba
Theoretical analysis of the conductance histograms and structural properties of Ag, Pt, and Ni nanocontacts
Physical Review B 74, 235106 (2006)
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J. K. Viljas, J. C. Cuevas, Fabian Pauly und M. Häfner
Electron-vibration interaction in transport through atomic gold wires
Physical Review B 72, 245415 (2005)
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M. Dreher, Fabian Pauly, J. Heurich, J. C. Cuevas, E. Scheer und P. Nielaba
Structure and conductance histogram of atomic-sized Au contacts
Physical Review B 72, 075435 (2005)
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M. Häfner, P. Konrad, Fabian Pauly, J. C. Cuevas und E. Scheer
Conduction channels of one-atom zinc contacts
Physical Review B 70, 241404 (2004)
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J.C. Cuevas, J. Heurich, Fabian Pauly, W. Wenzel und Gerd Schön
Towards a theory of electrical transport through atomic and molecular junctions
Phase Transitions 77, 175-189 (2004)
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Fabian Pauly, O. Sandfuchs, F. Kaiser und M.R. Belić
High-modulation-depth effects in photorefractive wave mixing: influence on pattern formation and physical foundations
Optics Communications 218, 385-407 (2003)
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J. C. Cuevas, J. Heurich, Fabian Pauly, W. Wenzel und Gerd Schön
Theoretical description of the electrical conduction in atomic and molecular junctions
Nanotechnology 14, R29-R38 (2003)
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