Advances and challenges in single-molecule electron transport

F Evers, R Korytár, S Tewari, JM Van Ruitenbeek - Reviews of Modern Physics, 2020 - APS
Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …

[HTML][HTML] Perspective: Theory of quantum transport in molecular junctions

M Thoss, F Evers - The Journal of chemical physics, 2018 - pubs.aip.org
Molecular junctions, where single molecules are bound to metal or semiconductor
electrodes, represent a unique architecture to investigate molecules in a distinct …

[HTML][HTML] Green's function methods for single molecule junctions

G Cohen, M Galperin - The Journal of chemical physics, 2020 - pubs.aip.org
We present a brief pedagogical review of theoretical Green's function methods applicable to
open quantum systems out of equilibrium, in general, and single molecule junctions, in …

Probing local moments in nanographenes with electron tunneling spectroscopy

R Ortiz, J Fernández-Rossier - Progress in Surface Science, 2020 - Elsevier
The emergence of local moments in graphene zigzag edges, grain boundaries, vacancies
and sp 3 defects has been widely studied theoretically. However, conclusive experimental …

Ground-state spin blockade in a single-molecule junction

J de Bruijckere, P Gehring, M Palacios-Corella… - Physical Review Letters, 2019 - APS
It is known that the quantum mechanical ground state of a nanoscale junction has a
significant impact on its electrical transport properties. This becomes particularly important in …

Current-induced dissociation in molecular junctions beyond the paradigm of vibrational heating: The role of antibonding electronic states

A Erpenbeck, Y Ke, U Peskin, M Thoss - Physical Review B, 2020 - APS
The interaction between electronic and nuclear degrees of freedom in single-molecule
junctions is an essential mechanism, which may result in the current-induced rupture of …

Five approaches to exact open-system dynamics: Complete positivity, divisibility, and time-dependent observables

V Reimer, MR Wegewijs, K Nestmann… - The Journal of …, 2019 - pubs.aip.org
To extend the classical concept of Markovianity to an open quantum system, different
notions of the divisibility of its dynamics have been introduced. Here, we analyze this issue …

Fermionic duality: General symmetry of open systems with strong dissipation and memory

V Bruch, K Nestmann, J Schulenborg, MR Wegewijs - SciPost Physics, 2021 - scipost.org
We consider the exact time-evolution of a broad class of fermionic open quantum systems
with both strong interactions and strong coupling to wide-band reservoirs. We present a …

Charge-state dependent vibrational relaxation in a single-molecule junction

X Bian, Z Chen, JK Sowa, C Evangeli, B Limburg… - Physical Review Letters, 2022 - APS
The outcome of an electron-transfer process is determined by the quantum-mechanical
interplay between electronic and vibrational degrees of freedom. Nonequilibrium vibrational …

First-principles many-body models for electron transport through molecular nanomagnets

A Chiesa, E Macaluso, P Santini, S Carretta, E Pavarini - Physical Review B, 2019 - APS
Impressive advances in the field of molecular spintronics allow one to study electron
transport through individual magnetic molecules embedded between metallic leads in the …