301 citations · 717 across the 9 of their papers we have counts for
9 papers
Theory of Chirality Induced Spin Selectivity: Progress and Challenges
Ferdinand Evers, Amnon Aharony, Nir Bar-Gill +19
We provide a critical overview of the theory of the chirality-induced spin selectivity (CISS) effect, i.e., phenomena in which the chirality of molecular species imparts significan…
Interference enhanced thermoelectricity in quinoid type structures
M. Strange, J. S. Seldenthuis, C. J. O. Verzijl +2
Quantum interference (QI) effects in molecular junctions may be used to obtain large thermoelectric responses. We study the electrical conductance G and the thermoelec- tric respon…
Large tunable image-charge effects in single-molecule junctions
M. L. Perrin, C. J. O. Verzijl, C. A. Martin +7
The characteristics of molecular electronic devices are critically determined by metal-organic interfaces, which influence the arrangement of the orbital levels that participate in…
Applicability of the Wide-Band Limit in DFT-Based Molecular Transport Calculations
C. J. O. Verzijl, J. S. Seldenthuis, J. M. Thijssen
Transport properties of molecular junctions are notoriously expensive to calculate with ab initio methods, primarily due to the semi-infinite electrodes. This has led to the introd…
Opportunities and limitations of transition voltage spectroscopy: a theoretical analysis
Fatemeh Mirjani, Joseph M. Thijssen, Sense Jan van der Molen
In molecular charge transport, transition voltage spectroscopy (TVS) holds the promise that molecular energy levels can be explored at bias voltages lower than required for resonan…
An All-Electric Single-Molecule Motor
Johannes S. Seldenthuis, Ferry Prins, Joseph M. Thijssen +1
Many types of molecular motors have been proposed and synthesized in recent years, displaying different kinds of motion, and fueled by different driving forces such as light, heat,…
DFT-based many-body analysis of electron transport through molecules
Fatemeh Mirjani, Joseph M. Thijssen
We present a method which uses density functional theory (DFT) to treat transport through a single molecule connected to two conducting leads for the weak and intermediate coupling…
Vibrational Excitations in Weakly Coupled Single-Molecule Junctions: A Computational Analysis
Johannes S. Seldenthuis, Herre S. J. van der Zant, Mark A. Ratner +1
In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been obse…
Electroluminescence spectra in weakly coupled single-molecule junctions
Johannes S. Seldenthuis, Herre S. J. van der Zant, Mark A. Ratner +1
We have combined ab initio quantum chemistry calculations with a rate-equation formalism to analyze electroluminescence spectra in single-molecule junctions, measured recently by s…