Nanometer-scale chemical modification of 2D materials


This project focuses on studying atomic scale modification of extremely thin, two-dimensional materials. We are investigating the interactions of gas molecules with the materials while sweeping the system with a beam of electrons. Under the electron irradiation, the gas molecules undergo a chemical reaction leading to the etching of the two-dimenstional material. This can have a radical effect on the materials properties, and under a controlled environment, could be used to create new nanostructures, such as nanowires and pores.

We are using the help of atomistic simulations to understand the rapid chemical processes exactly at timescales beyond pure experimental observation. Neural networks are trained to create a potential energy function to describe large atomic systems while retaining full quantum accuracy. By understanding the gas-surface reactions our aim is to control the process and use this novel approach to engineer two-dimensional materials for the use of new nanoscale applications.

Funder: Austrian Science Fund

Project identifier: M 2595

Principal investigator: E. H. Åhlgren

Co-applicant: J. Kotakoski

Project publications

Showing entries 1 - 5 out of 5


Villarreal, R., Lin, P-C., Zarkua, Z., Bana, H., Tsai, H-C., Auge, M., Junge, F., Hofsäss, H., Tosi, E., De Feyter, S., De Gendt, S., Brems, S., Åhlgren, E. H., & Pereira, L. M. C. (2023). Bond defects in graphene created by ultralow energy ion implantation. Carbon, 203, 590-600.



Villarreal, R., Lin, P-C., Faraji, F., Hassani, N., Bana, H., Zarkua, Z., Nair, M. N., Tsai, H-C., Auge, M., Junge, F., Hofsaess, H. C., De Gendt, S., De Feyter, S., Brems, S., Ahlgren, E. H., Neyts, E. C., Covaci, L., Peeters, F. M., Neek-Amal, M., & Pereira, L. M. C. (2021). Breakdown of Universal Scaling for Nanometer-Sized Bubbles in Graphene. Nano Letters, 21(19), 8103-8110.

Showing entries 1 - 5 out of 5