Status
Completed

Period
24 February – 8 March 2023

Applicant
Prof. Aleksandar Dimitrov

Home Institution
Faculty of Technology and Metallurgy, St. Cyril and Methodious University, Skopje, North Macedonia

Host Contact
Viktor Andonovikj

Host Institution
Jozef Stefan Institute, Ljubljana, Slovenia

Aim of the mission
The goal of the project conducted during the STSM stay in Ljubljana was to develop an algorithm for determining the number of layers in graphene and MWCNT samples using XRD data analysis, and to create a web application that could be used by anyone to obtain processed results on the distribution and number of layers in these samples. The algorithm was developed using Python and its common modules, and was split into two stages, with the second stage still in progress. The algorithm requires a high number of combination calculations, which can be time-consuming. To make the model more
accessible, an initial version of a web application was created using Python (Django), Bootstrap and JavaScript. The results provided novel insight and enabled the development of new approaches for processing data relevant to determining the number of layers of experimentally obtained graphene and MWCNT samples and their distribution. The collaboration is ongoing to achieve the ultimate goal of the project.
During my STSM at the Jozev Stefan Institute in Ljubljana, our goal was to create a webbased application that could accurately determine the number of graphene layers and their distribution. We utilized Python, pandas, numpy, and scipy to develop the algorithm in two stages: the first for symmetric XRD line shapes, and the second for highly asymmetric line shapes. We also tested the algorithm’s performance on multiple graphene and MWCNT samples. The next stage involved creating a graphical user interface using Python (Django) and JavaScript, which would allow users to interact with the algorithm and receive visual output results based on an input of XRD data sequences. Although time constraints prevented us from completing the second stage, we plan to continue working together to achieve our ultimate goal. Throughout the research process, we had access to appropriate computer software for calculation, visualization, and programming.

Summary of the Results
During an STSM visit, we developed an algorithm for identifying layers in symmetric XRD line shapes. We are improving it for highly asymmetric samples. The algorithm requires many calculations for optimal parameters and performance testing takes time. Results enabled new approaches for determining layers in graphene and MWCNT samples. A web app with a GUI and API was created for accessibility using Python and Bootstrap/JavaScript.

Dissemination
The Jozef Stefan Institute in Ljubljana is a top research institution in central Europe. A visit there would benefit my STSM goals within COST Action CA17139, leading to collaboration, ongoing work, and paper submissions with applicable results. This could also strengthen scientific and economic links among partner countries.