Charge and energy transport in nanostructures and condensed matter

Selected Publications

D. Weckbecker, P.B. Coto, and M. Thoss
Molecular Transistors Controlled through Proton Transfer
J. Phys. Chem. Lett. 12, 413(2021) DOI: 10.1021/acs.jpclett.0c03405

R. Smorka, M. Žonda and M. Thoss
Electronic transport through correlated electron systems with nonhomogeneous charge orderings
Phys. Rev. B 101, 155116 (2020) DOI: 10.1103/PhysRevB.101.155116

C. Schinabeck and M. Thoss
Hierarchical quantum master equation approach to current fluctuations in nonequilibrium charge transport through nanosystems
Phys. Rev. B 101, 075422 (2020) DOI: 10.1103/PhysRevB.101.075422

R. Härtle, C. Schinabeck, M. Kulkarni, D. Gelbwaser-Klimovsky, M. Thoss, and U. Peskin
Cooling by heating in nonequilibrium nanosystems
Phys. Rev. B 98, 081404(R) (2018) DOI: 10.1103/PHYSREVB.98.081404

A. Erpenbeck, C. Schinabeck, U. Peskin, and M. Thoss
Current-induced bond rupture in single-molecule junctions
Phys. Rev. B 97, 235452 (2018) DOI: 10.1103/PhysRevB.97.235452

David Gelbwaser-Klimovsky, Alan Aspuru-Guzik, Michael Thoss, Uri Peskin
High-Voltage-Assisted Mechanical Stabilization of Single-Molecule Junctions
Nano Lett. 18, 4727 (2018) DOI: 10.1021/acs.nanolett.8b01127

M. Thoss and F. Evers
Perspective: Theory of quantum transport in molecular junctions
J. Chem. Phys. 148, 030901 (2018) DOI: 10.1063/1.5003306

S. Leitherer, C. M. Jäger, A. Krause, M. Halik, T. Clark, and M. Thoss
Simulation of Charge Transport in Organic Semiconductors: A Time-Dependent Multiscale Method Based on Non-Equilibrium Green’s Functions
Phys. Rev. Mat. 1, 064601 (2017) DOI: 10.1103/PhysRevMaterials.1.064601

T. Schmaltz, B. Gothe, A. Krause, S. Leitherer, H. Steinrück, M. Thoss, T. Clark and M. Halik
Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors
ACS Nano 11, 8747 (2017) DOI: 10.1021/acsnano.7b02394

D. Weckbecker, P.B. Coto, and M. Thoss
Controlling the Conductance of a Graphene−Molecule Nanojunction by Proton Transfer
Nano Lett. 17, 3341 (2017) DOI: 10.1021/acs.nanolett.6b04813

S. Leitherer, P. B. Coto, K. Ullmann, H. B. Weber, and M. Thoss
Charge Transport in C60-based Single-Molecule Junctions with Graphene Electrodes
Nanoscale 9, 7217 (2017) DOI: 10.1039/C7NR00170C

C. Schinabeck, A. Erpenbeck, R. Härtle, M. Thoss
Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems
Phys. Rev. B 94, 201407(R) (2016) DOI: 10.1103/PhysRevB.94.201407

Konrad Ullmann, Pedro B. Coto, Susanne Leitherer, Agustin Molina-Ontoria, Nazario Martin, Michael Thoss, and Heiko B. Weber
Single-Molecule Junctions with Epitaxial Graphene Nanoelectrodes
Nano Lett. 15, 3512 (2015) DOI: 10.1021/acs.nanolett.5b00877 

A. Erpenbeck, R. Härtle, M. Thoss 
Effect of nonadiabatic electronic-vibrational interactions on the transport properties of single-molecule junctions
Phys. Rev. B 91, 195418 (2015) doi: 10.1103/PhysRevB.91.195418 

C. Schinabeck, R. Härtle, H. B. Weber, and M. Thoss 
Current noise in single-molecule junctions induced by electronic-vibrational coupling
Phys. Rev. B 90, 075409 (2014) doi: 10.1103/PhysRevB.90.075409

Ivan A. Pshenichnyuk, Pedro B. Coto, Susanne Leitherer and Michael Thoss
Charge Transport in Pentacene−Graphene Nanojunctions 
J. Phys. Chem. Lett. 4, 809 (2013) doi: 10.1021/jz400025q

Stefan Ballmann, Rainer Härtle, Pedro B. Coto, Mark Elbing, Marcel Mayor, Martin R. Bryce, Michael Thoss and Heiko B. Weber 
Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions 
Phys. Rev. Lett. 109 , 056801 (2012) 
see also the corresponding Viewpoint in Physics

R. Härtle, M. Butzin, O. Rubio-Pons and M. Thoss 
Quantum Interference and Decoherence in Single-Molecule Junctions: How Vibrations Induce Electrical Current 
Phys. Rev. Lett. 107, 046802 (2011)

D. Secker, S. Wagner, S. Ballmann, R. Härtle, M. Thoss and H. B. Weber 
Resonant Vibrations, Peak Broadening, and Noise in Single Molecule Contacts: The Nature of the First Conductance Peak 
Phys. Rev. Lett. 106, 136807 (2011)

R. Härtle and M. Thoss 
Resonant electron transport in single-molecule junctions: Vibrational excitation, rectification, negative differential resistance, and local cooling 
Phys. Rev. B 83, 115414 (2011)

K.A. Velizhanin, H. Wang, and M. Thoss
Heat transport through model molecular junctions: A multilayer multiconfiguration time-dependent Hartree approach 
Chem. Phys. Lett. 460, 325 (2008)