SAJEx (Smoothened Armchair Graphene Nanoribbon Junctions Explorer)

SAJEx is a simple interface that let you explore a large variety of armchair graphene nanoribbon junctions.

Usage

Running locally

1. Make sure the following are installed (for example using pip install -r requirements.txt):

• voila >= 0.4.0
• ipywidgets >= 8.0.6
• voila-materialscloud-template. The following might downgrade voila !

2. Run the app using voila --template=materialscloud-tool SAJEx.ipynb voila SAJEx.ipynb.

Using Dockerfile

1. Build the docker image using docker build -t sajex ..
2. Retrieve the docker image using docker save -o SAJEx.tar sajex.
3. Run the docker container using docker run -p 8866:8866 sajex. Note that on the first run, the container will download the dataset, and might thus take a while.
4. Access it on <host ip>:8866 although the console might indicate another address.

How to cite

If you use this tool, please cite the following works:

• J. Leuenberger, K. Čerņevičs, O. V. Yazyev, Charge carrier flow through trimmed nanoribbon junctions, tbd
• J. Leuenberger, K. Čerņevičs, O. V. Yazyev, Trimmed graphene nanoribbon junctions dataset, Materials Cloud Archive 2023.X (2023), doi:10.24435/materialscloud:jx-02

You can also use the following BibTeX citation.

@article{Leu23_1,
  author = {Leuenberger, Julien and Čerņevičs, Kristiāns and Yazyev, Oleg V.},
  title = {Charge carrier flow through trimmed nanoribbon junctions},
  volume = {tbd},
  journal = {tbd},
}

@article{Leu23_2,
  author = {Leuenberger, Julien and Čerņevičs, Kristiāns and Yazyev, Oleg V.},
  title = {Trimmed graphene nanoribbon junctions dataset},
  journal = {Materials Cloud Archive},
  volume = {2023.X},
  year = {2023},
  note = {doi:10.24435/materialscloud:jx-02},
}

License

MIT. The terms of the license can be found in the LICENSE file.