MolCToy: Toy Model for Molecular Conduction
Welcome to the MolCToy development area. This project is for people actively developing the MolCToy simulator.
- GettingStarted - learn how to download the current code and make changes
- TicketSystem - use trouble tickets to report problems and document ideas for future development
What is MolCToy?
MolCToy (Molecular Conduction Toy model) computes current-voltage (I-V) characteristics and conductance spectrum (G-V) of a molecule sandwiched between two metallic contacts, one of which could be a scanning probe. This tool similar to Huckel-IV, but with a simplified, toy model. It reproduces much of the same physics, but with non-physical inputs. In particular, you specify the energy levels of a hypothetical molecule, the coupling between the molecule and the contacts, and an estimate of the single-electron charging energy for the molecule. Huckel-IV, on the other hand, takes the arrangement of atoms in a molecule and computes the other quantities directly from that.
Check out this demo.
Run MolCToy on the nanoHUB, right in your web browser!
How do I use this site?
You can edit any of the pages in this site and add information. For more instructions, see: