Supporting Information
Supporting Information includes derivation of the force expression given in the main text. A schematic flowchart of the simulation execution is also provided. A detailed discussion about the geometric method for determining the positions of the background substrate atoms is given as well. The plot showing the effect of using the cut-off radii and look-up tables in the simulation is also provided. Conductance and trajectory data recorded during experiments are shown as 3D plots. A full sequence of the manipulation shown in the simulation is also available as a video file.
| Supporting Information File 1: Additional data. | ||
| Format: PDF | Size: 2.5 MB | Download |
| Supporting Information File 2: Simulation step 1. | ||
| Format: AVI | Size: 9.2 MB | Download |
| Supporting Information File 3: Simulation step 2. | ||
| Format: AVI | Size: 12.1 MB | Download |
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Citations to This Article
Scholarly Works
- Scheidt, J.; Diener, A.; Maiworm, M.; Müller, K.-R.; Findeisen, R.; Driessens, K.; Tautz, F. S.; Wagner, C. Concept for the Real-Time Monitoring of Molecular Configurations during Manipulation with a Scanning Probe Microscope. The journal of physical chemistry. C, Nanomaterials and interfaces 2023, 127, 13817–13836. doi:10.1021/acs.jpcc.3c02072
- Dednam, W.; Tewari, S.; Lombardi, E. B.; Palacios, J. J.; van Ruitenbeek, J. M.; Sabater, C. Dynamic bonding influenced by the proximity of adatoms to one atom high step edges. Physical Review B 2022, 106. doi:10.1103/physrevb.106.125418
- van Vreumingen, D.; Tewari, S.; Verbeek, F. J.; van Ruitenbeek, J. M. Micromachines - Towards Controlled Single-Molecule Manipulation Using “Real-Time” Molecular Dynamics Simulation: A GPU Implementation. Micromachines 2018, 9, 270. doi:10.3390/mi9060270
