51 citations · 285 across the 11 of their papers we have counts for
6 papers · 1 filter
Current-induced bond rupture in single-molecule junctions: Effects of multiple electronic states and vibrational modes
Yaling Ke, Jan Dvořák, Martin Čížek +2
Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at…
How an electrical current can stabilize a molecular nanojunction
André Erpenbeck, Yaling Ke, Uri Peskin +1
The stability of molecular junctions under transport is of the utmost importance for the field of molecular electronics. This question is often addressed within the paradigm of cur…
Current-induced forces in nanosystems: A hierarchical equations of motion approach
Samuel L. Rudge, Yaling Ke, Michael Thoss
A new approach to calculating current-induced forces in charge transport through nanosystems is introduced. Starting from the fully quantum mechanical hierarchical equations of mot…
Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space
Yaling Ke, Raffaele Borrelli, Michael Thoss
We extend the twin-space formulation of the hierarchical equations of motion approach in combination with the matrix product state representation (introduced in J. Chem. Phys. 150,…
Unraveling current-induced dissociation mechanisms in single-molecule junctions
Yaling Ke, André Erpenbeck, Uri Peskin +1
Understanding current-induced bond rupture in single-molecule junctions is both of fundamental interest and a prerequisite for the design of molecular junctions, which are stable a…
Current-induced dissociation in molecular junctions beyond the paradigm of vibrational heating: The role of anti-bonding electronic states
André Erpenbeck, Yaling Ke, Uri Peskin +1
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 chemica…