301 citations · 593 across the 6 of their papers we have counts for
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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…
A DFT-based Molecular Transport Implementation in ADF/BAND
C. J. O. Verzijl, J. M. Thijssen
We present a novel implementation of the first-principles approach to molecular charge transport using the non-equilibrium Green's function formalism in combination with the ADF/BA…