Adsorber

The Adsorber Program

Authors: Dr. Geoffrey R. Weal and Dr. Anna L. Garden (University of Otago, Dunedin, New Zealand)

Group page: https://blogs.otago.ac.nz/annagarden/

What is Adsorber

Adsorber is designed to create a number of models that have adsorbates adsorbed to various top, bridge, three-fold, and four-fold site on a cluster or surface model.

Installation

It is recommended to read the installation page before using the Adsorber program.

adsorber.readthedocs.io/en/latest/Installation.html

Note that you can install Adsorber through pip3 and conda.

Jmol is also used for looking at your cluster/surface model with adsorbed atoms and molecules upon it. You can see how to install and use it at Installing and Using ASE GUI and Jmol.

Output files that are created by Adsorber

Adsorber will adsorb atoms and molecules on various binding sites across your cluster or surface model. These include top, bridge, three-fold, and four-fold sites. An example of an COOH molecules adsorbed to a corner top-site on a Cu₇₈ cluster is shown below

Where can I find the documentation for Adsorber

All the information about this program is found online at adsorber.readthedocs.io/en/latest/. Click the button below to also see the documentation:

The Adsorber Program is a "work in progress"

This program is definitely a "work in progress". I have made it as easy to use as possible, but there are always oversights to program development and some parts of it may not be as easy to use as it could be. If you have any issues with the program or you think there would be better/easier ways to use and implement things in Adsorber, feel free to email Geoffrey about these (geoffrey.weal@gmail.com). Feedback is very much welcome!

About

Python
Repositories
Documentation
Tests
License
Authors	Geoffrey R. Weal, Dr. Anna L. Garden
Group Website	https://blogs.otago.ac.nz/annagarden/